Changeset 1709 for sphinxdocs/build/html/_modules/GSASIIphsGUI.html

Timestamp:

Mar 14, 2015 5:35:03 PM (8 years ago)

Author:

toby

Message:

change sphinx docs links; rebuild & fixing minor formatting

File:

• sphinxdocs/build/html/_modules/GSASIIphsGUI.html (modified) (106 diffs)

sphinxdocs/build/html/_modules/GSASIIphsGUI.html

@@ -52 +52 @@
 <span class="c">#GSASII - phase data display routines</span>
 <span class="c">########### SVN repository information ###################</span>
-<span class="c"># $Date: 2014-09-26 09:41:33 -0500 (Fri, 26 Sep 2014) $</span>
+<span class="c"># $Date: 2015-03-13 15:46:05 -0500 (Fri, 13 Mar 2015) $</span>
 <span class="c"># $Author: vondreele $</span>
-<span class="c"># $Revision: 1506 $</span>
+<span class="c"># $Revision: 1699 $</span>
 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIphsGUI.py $</span>
-<span class="c"># $Id: GSASIIphsGUI.py 1506 2014-09-26 14:41:33Z vondreele $</span>
+<span class="c"># $Id: GSASIIphsGUI.py 1699 2015-03-13 20:46:05Z vondreele $</span>
 <span class="c">########### SVN repository information ###################</span>
 <span class="sd">&#39;&#39;&#39;</span>
@@ -85 +85 @@
 <span class="kn">import</span> <span class="nn">cPickle</span>
 <span class="kn">import</span> <span class="nn">GSASIIpath</span>
-<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1506 $&quot;</span><span class="p">)</span>
+<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$Revision: 1699 $&quot;</span><span class="p">)</span>
 <span class="kn">import</span> <span class="nn">GSASIIlattice</span> <span class="kn">as</span> <span class="nn">G2lat</span>
 <span class="kn">import</span> <span class="nn">GSASIIspc</span> <span class="kn">as</span> <span class="nn">G2spc</span>
@@ -99 +99 @@
 <span class="kn">import</span> <span class="nn">GSASIIpy3</span> <span class="kn">as</span> <span class="nn">G2py3</span>
 <span class="kn">import</span> <span class="nn">GSASIIobj</span> <span class="kn">as</span> <span class="nn">G2obj</span>
+<span class="kn">import</span> <span class="nn">GSASIIctrls</span> <span class="kn">as</span> <span class="nn">G2G</span>
 <span class="kn">import</span> <span class="nn">numpy</span> <span class="kn">as</span> <span class="nn">np</span>
 <span class="kn">import</span> <span class="nn">numpy.linalg</span> <span class="kn">as</span> <span class="nn">nl</span>
@@ -109 +110 @@
 <span class="n">mapDefault</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;MapType&#39;</span><span class="p">:</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="s">&#39;RefList&#39;</span><span class="p">:</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="s">&#39;Resolution&#39;</span><span class="p">:</span><span class="mf">0.5</span><span class="p">,</span><span class="s">&#39;Show bonds&#39;</span><span class="p">:</span><span class="bp">True</span><span class="p">,</span>
                 <span class="s">&#39;rho&#39;</span><span class="p">:[],</span><span class="s">&#39;rhoMax&#39;</span><span class="p">:</span><span class="mf">0.</span><span class="p">,</span><span class="s">&#39;mapSize&#39;</span><span class="p">:</span><span class="mf">10.0</span><span class="p">,</span><span class="s">&#39;cutOff&#39;</span><span class="p">:</span><span class="mf">50.</span><span class="p">,</span><span class="s">&#39;Flip&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">}</span>
+<span class="n">TabSelectionIdDict</span> <span class="o">=</span> <span class="p">{}</span>
 <span class="c"># trig functions in degrees</span>
 <span class="n">sind</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="n">np</span><span class="o">.</span><span class="n">sin</span><span class="p">(</span><span class="n">x</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="o">/</span><span class="mf">180.</span><span class="p">)</span>
@@ -120 +122 @@
     <span class="n">Size</span> <span class="o">=</span> <span class="n">mainSizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()</span>
     <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mi">40</span>
-<span class="c">#    Size[1] = 500</span>
     <span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span> <span class="mi">150</span><span class="p">,</span><span class="mi">500</span><span class="p">)</span> 
     <span class="n">phasePage</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
     <span class="n">phasePage</span><span class="o">.</span><span class="n">SetScrollbars</span><span class="p">(</span><span class="mi">10</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">4</span><span class="p">,</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">/</span><span class="mi">10</span><span class="o">-</span><span class="mi">1</span><span class="p">)</span>
     <span class="n">mainFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
+    <span class="n">mainFrame</span><span class="o">.</span><span class="n">SendSizeEvent</span><span class="p">()</span>
     
 <div class="viewcode-block" id="UpdatePhaseData"><a class="viewcode-back" href="../GSASIIGUI.html#GSASIIphsGUI.UpdatePhaseData">[docs]</a><span class="k">def</span> <span class="nf">UpdatePhaseData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Item</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">oldPage</span><span class="p">):</span>
@@ -143 +145 @@
 
 <span class="sd">    &#39;&#39;&#39;</span>
+    
+    <span class="k">def</span> <span class="nf">GetReflData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">phaseName</span><span class="p">,</span><span class="n">reflNames</span><span class="p">):</span>
+        <span class="n">ReflData</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],</span><span class="s">&#39;Type&#39;</span><span class="p">:</span><span class="s">&#39;&#39;</span><span class="p">}</span>
+        <span class="k">for</span> <span class="n">reflName</span> <span class="ow">in</span> <span class="n">reflNames</span><span class="p">:</span>
+            <span class="k">if</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
+                <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
+                <span class="n">reflSets</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">PatternId</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">))</span>
+                <span class="n">reflData</span> <span class="o">=</span> <span class="n">reflSets</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span>
+                <span class="k">if</span> <span class="s">&#39;list&#39;</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">reflData</span><span class="p">)):</span>       <span class="c">#patch for old reflection data</span>
+                    <span class="n">RefData</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],</span><span class="s">&#39;FF&#39;</span><span class="p">:[]}</span>
+                    <span class="k">for</span> <span class="n">ref</span> <span class="ow">in</span> <span class="n">reflDict</span><span class="p">:</span>
+                        <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[:</span><span class="mi">11</span><span class="p">]</span><span class="o">+</span><span class="p">[</span><span class="n">ref</span><span class="p">[</span><span class="mi">13</span><span class="p">],])</span>
+                        <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;FF&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[</span><span class="mi">14</span><span class="p">])</span>
+                    <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
+                    <span class="n">reflData</span> <span class="o">=</span> <span class="n">RefData</span>
+            <span class="k">elif</span> <span class="s">&#39;HKLF&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
+                <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
+                <span class="n">reflData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">PatternId</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span>
+                <span class="k">if</span> <span class="s">&#39;Type&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">reflData</span><span class="p">:</span>
+                    <span class="n">reflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;SXC&#39;</span>
+            <span class="k">if</span> <span class="n">ReflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="n">reflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">!=</span> <span class="n">ReflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>
+                <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Data type conflict&#39;</span><span class="p">,</span>
+                    <span class="n">reflName</span><span class="o">+</span><span class="s">&#39; conflicts with previous &#39;</span><span class="o">+</span><span class="n">ReflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">])</span>
+                <span class="k">return</span> <span class="bp">None</span>
+            <span class="n">ReflData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">+=</span> <span class="nb">list</span><span class="p">(</span><span class="n">reflData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
+            <span class="n">ReflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">reflData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span>
+        <span class="k">return</span> <span class="n">ReflData</span>
 
     <span class="c"># UpdatePhaseData execution continues below</span>
@@ -159 +188 @@
             <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;POhkl&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">1</span><span class="p">]</span>
         <span class="k">if</span> <span class="s">&#39;Map&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
-            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapDefault</span>
+            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapDefault</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
         <span class="k">if</span> <span class="s">&#39;Flip&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
             <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;RefList&#39;</span><span class="p">:</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="s">&#39;Resolution&#39;</span><span class="p">:</span><span class="mf">0.5</span><span class="p">,</span><span class="s">&#39;Norm element&#39;</span><span class="p">:</span><span class="s">&#39;None&#39;</span><span class="p">,</span>
@@ -178 +207 @@
             <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span><span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
                 <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mi">6</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">10</span><span class="p">,</span><span class="mi">12</span><span class="p">]</span>
-        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]</span> <span class="ow">and</span> <span class="s">&#39;Super&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
-            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;&#39;</span>
-            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
-            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">.</span><span class="mi">1</span><span class="p">],</span><span class="bp">False</span><span class="p">,</span><span class="mi">4</span><span class="p">],[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">.</span><span class="mi">1</span><span class="p">],</span><span class="bp">False</span><span class="p">,</span><span class="mi">4</span><span class="p">],[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">.</span><span class="mi">1</span><span class="p">],</span><span class="bp">False</span><span class="p">,</span><span class="mi">4</span><span class="p">]]</span>
+        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span> 
+            <span class="k">if</span> <span class="s">&#39;Super&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mi">1</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="o">.</span><span class="mi">1</span><span class="p">],</span><span class="bp">False</span><span class="p">,</span><span class="mi">4</span><span class="p">]</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SSGData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">{}</span>
+            <span class="k">if</span> <span class="s">&#39;4DmapData&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapDefault</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;MapType&#39;</span><span class="p">:</span><span class="s">&#39;Fobs&#39;</span><span class="p">})</span>
 <span class="c"># end of patches</span>
         <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">cia</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span>
@@ -191 +224 @@
         <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Color&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[]</span>
         <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Mydir&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dirname</span>
+        <span class="n">badList</span> <span class="o">=</span> <span class="p">{}</span>
         <span class="k">for</span> <span class="n">atom</span> <span class="ow">in</span> <span class="n">atomData</span><span class="p">:</span>
             <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span><span class="o">.</span><span class="n">capitalize</span><span class="p">()</span>              <span class="c">#force to standard form</span>
@@ -197 +231 @@
             <span class="k">elif</span> <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span> <span class="o">!=</span> <span class="s">&#39;UNK&#39;</span><span class="p">:</span>
                 <span class="n">Info</span> <span class="o">=</span> <span class="n">G2elem</span><span class="o">.</span><span class="n">GetAtomInfo</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">])</span>
+                <span class="k">if</span> <span class="ow">not</span> <span class="n">Info</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">badList</span><span class="p">:</span>
+                        <span class="n">badList</span><span class="p">[</span><span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]]</span> <span class="o">=</span> <span class="mi">0</span>
+                    <span class="n">badList</span><span class="p">[</span><span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]]</span> <span class="o">+=</span> <span class="mi">1</span>
+                    <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;UNK&#39;</span>
+                    <span class="k">continue</span>
+                <span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]</span> <span class="o">=</span> <span class="n">Info</span><span class="p">[</span><span class="s">&#39;Symbol&#39;</span><span class="p">]</span> <span class="c"># N.B. symbol might be changed by GetAtomInfo</span>
                 <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">])</span>
                 <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Z&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Info</span><span class="p">[</span><span class="s">&#39;Z&#39;</span><span class="p">]</span>
@@ -210 +251 @@
                 <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;NoAtoms&#39;</span><span class="p">][</span><span class="n">atom</span><span class="p">[</span><span class="n">ct</span><span class="p">]]</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">cs</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span><span class="o">*</span><span class="nb">float</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="n">cs</span><span class="o">+</span><span class="mi">1</span><span class="p">])</span>
                 <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Color&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Info</span><span class="p">[</span><span class="s">&#39;Color&#39;</span><span class="p">])</span>
+        <span class="k">if</span> <span class="n">badList</span><span class="p">:</span>
+            <span class="n">msg</span> <span class="o">=</span> <span class="s">&#39;Warning: element symbol(s) not found:&#39;</span>
+            <span class="k">for</span> <span class="n">key</span> <span class="ow">in</span> <span class="n">badList</span><span class="p">:</span>
+                <span class="n">msg</span> <span class="o">+=</span> <span class="s">&#39;</span><span class="se">\n\t</span><span class="s">&#39;</span> <span class="o">+</span> <span class="n">key</span>
+                <span class="k">if</span> <span class="n">badList</span><span class="p">[</span><span class="n">key</span><span class="p">]</span> <span class="o">&gt;</span> <span class="mi">1</span><span class="p">:</span>
+                    <span class="n">msg</span> <span class="o">+=</span> <span class="s">&#39; (&#39;</span> <span class="o">+</span> <span class="nb">str</span><span class="p">(</span><span class="n">badList</span><span class="p">[</span><span class="n">key</span><span class="p">])</span> <span class="o">+</span> <span class="s">&#39; times)&#39;</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">MessageBox</span><span class="p">(</span><span class="n">msg</span><span class="p">,</span><span class="n">caption</span><span class="o">=</span><span class="s">&#39;Element symbol error&#39;</span><span class="p">)</span>
         <span class="n">F000X</span> <span class="o">=</span> <span class="mf">0.</span>
         <span class="n">F000N</span> <span class="o">=</span> <span class="mf">0.</span>
@@ -236 +284 @@
 <span class="sd">            &#39;Cell&#39;:[False,10.,10.,10.,90.,90.,90,1000.]</span>
 <span class="sd">            &#39;AtomPtrs&#39;:[]</span>
-<span class="sd">            &#39;Histogram list&#39;:[&#39;&#39;,]</span>
 <span class="sd">            &#39;Pawley dmin&#39;:1.0,</span>
 <span class="sd">            &#39;Pawley neg wt&#39;:0.0}</span>
@@ -252 +299 @@
         <span class="c"># UpdateGeneral execution continues below</span>
         
-        <span class="k">def</span> <span class="nf">NameSizer</span><span class="p">():</span>                   
+        <span class="k">def</span> <span class="nf">NameSizer</span><span class="p">():</span>   
+            
+            <span class="k">def</span> <span class="nf">SetDefaultSSsymbol</span><span class="p">():</span>
+                <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGLaue&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="s">&#39;-1&#39;</span><span class="p">:</span>
+                    <span class="k">return</span> <span class="s">&#39;(abg)&#39;</span>
+                <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGLaue&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;2/m&#39;</span><span class="p">]:</span>
+                    <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGUniq&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;a&#39;</span><span class="p">:</span>
+                        <span class="k">return</span> <span class="s">&#39;(a00)&#39;</span>
+                    <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGUniq&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;b&#39;</span><span class="p">:</span>
+                        <span class="k">return</span> <span class="s">&#39;(0b0)&#39;</span>
+                    <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGUniq&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;c&#39;</span><span class="p">:</span>
+                        <span class="k">return</span> <span class="s">&#39;(00g)&#39;</span>
+                <span class="k">else</span><span class="p">:</span>
+                    <span class="k">return</span> <span class="s">&#39;(00g)&#39;</span>
+                                
             <span class="k">def</span> <span class="nf">OnPhaseName</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
                 <span class="n">oldName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">NameTxt</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">Rename</span><span class="p">(</span><span class="n">oldName</span><span class="p">,</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetLabel</span><span class="p">(</span><span class="s">&#39;Phase Data for &#39;</span><span class="o">+</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">SetItemText</span><span class="p">(</span><span class="n">Item</span><span class="p">,</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
-                <span class="c">#Hmm, need to change phase name key in Reflection Lists for each histogram</span>
-                            
+                <span class="n">phaseRIdList</span><span class="p">,</span><span class="n">usedHistograms</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">GetPhaseInfofromTree</span><span class="p">()</span>
+                <span class="n">phaseNameList</span> <span class="o">=</span> <span class="n">usedHistograms</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span> <span class="c"># phase names in use</span>
+                <span class="n">newName</span> <span class="o">=</span> <span class="n">NameTxt</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span>
+                <span class="k">if</span> <span class="n">newName</span> <span class="ow">and</span> <span class="n">newName</span> <span class="o">!=</span> <span class="n">oldName</span><span class="p">:</span>
+                    <span class="n">newName</span> <span class="o">=</span> <span class="n">G2obj</span><span class="o">.</span><span class="n">MakeUniqueLabel</span><span class="p">(</span><span class="n">newName</span><span class="p">,</span><span class="n">phaseNameList</span><span class="p">)</span>             
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">newName</span>
+                    <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">Rename</span><span class="p">(</span><span class="n">oldName</span><span class="p">,</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
+                    <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetLabel</span><span class="p">(</span><span class="s">&#39;Phase Data for &#39;</span><span class="o">+</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
+                    <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">SetItemText</span><span class="p">(</span><span class="n">Item</span><span class="p">,</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
+                    <span class="c"># change phase name key in Reflection Lists for each histogram</span>
+                    <span class="k">for</span> <span class="n">hist</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]:</span>
+                        <span class="n">ht</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="n">hist</span><span class="p">)</span>
+                        <span class="n">rt</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">ht</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">)</span>
+                        <span class="k">if</span> <span class="ow">not</span> <span class="n">rt</span><span class="p">:</span> <span class="k">continue</span>
+                        <span class="n">RfList</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">rt</span><span class="p">)</span>
+                        <span class="k">if</span> <span class="n">oldName</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">RfList</span><span class="p">:</span>
+                            <span class="k">print</span><span class="p">(</span><span class="s">&#39;Warning: &#39;</span><span class="o">+</span><span class="n">oldName</span><span class="o">+</span><span class="s">&#39; not in Reflection List for &#39;</span><span class="o">+</span>
+                                  <span class="n">hist</span><span class="p">)</span>
+                            <span class="k">continue</span>
+                        <span class="n">RfList</span><span class="p">[</span><span class="n">newName</span><span class="p">]</span> <span class="o">=</span> <span class="n">RfList</span><span class="p">[</span><span class="n">oldName</span><span class="p">]</span>
+                        <span class="k">del</span> <span class="n">RfList</span><span class="p">[</span><span class="n">oldName</span><span class="p">]</span>                            
+                <span class="n">NameTxt</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">])</span>
+                                                
             <span class="k">def</span> <span class="nf">OnPhaseType</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="k">if</span> <span class="ow">not</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]:</span>             <span class="c">#can change only if no atoms!</span>
+                <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]):</span>             <span class="c">#can change only if no atoms!</span>
                     <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">TypeTxt</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
-                    <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>
+                    <span class="n">pages</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">PageNum</span><span class="p">)</span> <span class="k">for</span> <span class="n">PageNum</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageCount</span><span class="p">())]</span>
+                    <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">]:</span>
+                        <span class="k">if</span> <span class="s">&#39;SuperSg&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
+                            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">SetDefaultSSsymbol</span><span class="p">()</span>
+                        <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SSGData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSpcGroup</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">],</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">])[</span><span class="mi">1</span><span class="p">]</span>
+                        <span class="k">if</span> <span class="s">&#39;MC/SA&#39;</span> <span class="ow">in</span> <span class="n">pages</span><span class="p">:</span>
+                            <span class="k">pass</span>
+<span class="c">#                            G2frame.dataDisplay.DeletePage(pages.index(&#39;MC/SA&#39;))   #this crashes!!</span>
+                        <span class="k">if</span> <span class="s">&#39;Wave Data&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">pages</span><span class="p">:</span>
+                            <span class="n">G2frame</span><span class="o">.</span><span class="n">waveData</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
+                            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">InsertPage</span><span class="p">(</span><span class="mi">3</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">waveData</span><span class="p">,</span><span class="s">&#39;Wave Data&#39;</span><span class="p">)</span>
+                            <span class="n">Id</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">NewId</span><span class="p">()</span>
+                            <span class="n">TabSelectionIdDict</span><span class="p">[</span><span class="n">Id</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;Wave Data&#39;</span>
+                        <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="s">&#39;Wave Data&#39;</span> <span class="ow">in</span> <span class="n">pages</span><span class="p">:</span>
+                            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">DeletePage</span><span class="p">(</span><span class="n">pages</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;Wave Data&#39;</span><span class="p">))</span>
+                        <span class="k">if</span> <span class="s">&#39;MC/SA&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">pages</span><span class="p">:</span>
+                            <span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ScrolledWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="p">)</span>
+                            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">InsertPage</span><span class="p">(</span><span class="mi">7</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="s">&#39;MC/SA&#39;</span><span class="p">)</span>
+                            <span class="n">Id</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">NewId</span><span class="p">()</span>
+                            <span class="n">TabSelectionIdDict</span><span class="p">[</span><span class="n">Id</span><span class="p">]</span> <span class="o">=</span> <span class="s">&#39;MC/SA&#39;</span>
+                        <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
+                    <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Phase type change error&#39;</span><span class="p">,</span><span class="s">&#39;Can change phase type only if there are no atoms&#39;</span><span class="p">)</span>
                     <span class="n">TypeTxt</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">])</span>                
                 
             <span class="k">def</span> <span class="nf">OnSpaceGroup</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">SpcGp</span> <span class="o">=</span> <span class="n">SGTxt</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
-                <span class="n">SGErr</span><span class="p">,</span><span class="n">SGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SpcGroup</span><span class="p">(</span><span class="n">SpcGp</span><span class="p">)</span>
+                <span class="n">Flds</span> <span class="o">=</span> <span class="n">SGTxt</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
+                <span class="c">#get rid of extra spaces between fields first</span>
+                <span class="k">for</span> <span class="n">fld</span> <span class="ow">in</span> <span class="n">Flds</span><span class="p">:</span> <span class="n">fld</span> <span class="o">=</span> <span class="n">fld</span><span class="o">.</span><span class="n">strip</span><span class="p">()</span>
+                <span class="n">SpcGp</span> <span class="o">=</span> <span class="s">&#39; &#39;</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">Flds</span><span class="p">)</span>
                 <span class="c"># try a lookup on the user-supplied name</span>
-                <span class="k">if</span> <span class="n">SGErr</span><span class="p">:</span>
-                    <span class="n">SpGrpNorm</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">StandardizeSpcName</span><span class="p">(</span><span class="n">SpcGp</span><span class="p">)</span>
-                    <span class="k">if</span> <span class="n">SpGrpNorm</span><span class="p">:</span>
-                        <span class="n">E</span><span class="p">,</span><span class="n">SGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SpcGroup</span><span class="p">(</span><span class="n">SpGrpNorm</span><span class="p">)</span>
-                        <span class="k">if</span> <span class="ow">not</span> <span class="n">E</span><span class="p">:</span> <span class="n">SGErr</span> <span class="o">=</span> <span class="bp">False</span>
+                <span class="n">SpGrpNorm</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">StandardizeSpcName</span><span class="p">(</span><span class="n">SpcGp</span><span class="p">)</span>
+                <span class="k">if</span> <span class="n">SpGrpNorm</span><span class="p">:</span>
+                    <span class="n">SGErr</span><span class="p">,</span><span class="n">SGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SpcGroup</span><span class="p">(</span><span class="n">SpGrpNorm</span><span class="p">)</span>
+                <span class="k">else</span><span class="p">:</span>
+                    <span class="n">SGErr</span><span class="p">,</span><span class="n">SGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SpcGroup</span><span class="p">(</span><span class="n">SpcGp</span><span class="p">)</span>
                 <span class="k">if</span> <span class="n">SGErr</span><span class="p">:</span>
                     <span class="n">text</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2spc</span><span class="o">.</span><span class="n">SGErrors</span><span class="p">(</span><span class="n">SGErr</span><span class="p">)</span><span class="o">+</span><span class="s">&#39;</span><span class="se">\n</span><span class="s">Space Group set to previous&#39;</span><span class="p">]</span>
@@ -282 +385 @@
                     <span class="n">msg</span> <span class="o">=</span> <span class="s">&#39;Space Group Error&#39;</span>
                     <span class="n">Style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ICON_EXCLAMATION</span>
+                    <span class="n">Text</span> <span class="o">=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">&#39;</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">text</span><span class="p">)</span>
+                    <span class="n">wx</span><span class="o">.</span><span class="n">MessageBox</span><span class="p">(</span><span class="n">Text</span><span class="p">,</span><span class="n">caption</span><span class="o">=</span><span class="n">msg</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">Style</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="n">text</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SGPrint</span><span class="p">(</span><span class="n">SGData</span><span class="p">)</span>
+                    <span class="n">text</span><span class="p">,</span><span class="n">table</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SGPrint</span><span class="p">(</span><span class="n">SGData</span><span class="p">)</span>
                     <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">SGData</span>
+                    <span class="n">SGTxt</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">])</span>
                     <span class="n">msg</span> <span class="o">=</span> <span class="s">&#39;Space Group Information&#39;</span>
-                    <span class="n">Style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ICON_INFORMATION</span>
-                <span class="n">Text</span> <span class="o">=</span> <span class="s">&#39;&#39;</span>
-                <span class="k">for</span> <span class="n">line</span> <span class="ow">in</span> <span class="n">text</span><span class="p">:</span>
-                    <span class="n">Text</span> <span class="o">+=</span> <span class="n">line</span><span class="o">+</span><span class="s">&#39;</span><span class="se">\n</span><span class="s">&#39;</span>
-                <span class="n">wx</span><span class="o">.</span><span class="n">MessageBox</span><span class="p">(</span><span class="n">Text</span><span class="p">,</span><span class="n">caption</span><span class="o">=</span><span class="n">msg</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">Style</span><span class="p">)</span>
+                    <span class="n">G2gd</span><span class="o">.</span><span class="n">SGMessageBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">msg</span><span class="p">,</span><span class="n">text</span><span class="p">,</span><span class="n">table</span><span class="p">)</span><span class="o">.</span><span class="n">Show</span><span class="p">()</span>
+                <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,]:</span>
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">SetDefaultSSsymbol</span><span class="p">()</span>
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SSGData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSpcGroup</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">],</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">])[</span><span class="mi">1</span><span class="p">]</span>
                 <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>
                 
@@ -313 +418 @@
             
             <span class="n">cellGUIlist</span> <span class="o">=</span> <span class="p">[[[</span><span class="s">&#39;m3&#39;</span><span class="p">,</span><span class="s">&#39;m3m&#39;</span><span class="p">],</span><span class="mi">4</span><span class="p">,</span><span class="nb">zip</span><span class="p">([</span><span class="s">&quot; Unit cell: a = &quot;</span><span class="p">,</span><span class="s">&quot; Vol = &quot;</span><span class="p">],[</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">],[</span><span class="bp">True</span><span class="p">,</span><span class="bp">False</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">])],</span>
-            <span class="p">[[</span><span class="s">&#39;3R&#39;</span><span class="p">,</span><span class="s">&#39;3mR&#39;</span><span class="p">],</span><span class="mi">6</span><span class="p">,</span><span class="nb">zip</span><span class="p">([</span><span class="s">&quot; a = &quot;</span><span class="p">,</span><span class="s">&quot; alpha = &quot;</span><span class="p">,</span><span class="s">&quot; Vol = &quot;</span><span class="p">],[</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">],[</span><span class="bp">True</span><span class="p">,</span><span class="bp">True</span><span class="p">,</span><span class="bp">False</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">])],</span>
+            <span class="p">[[</span><span class="s">&#39;3R&#39;</span><span class="p">,</span><span class="s">&#39;3mR&#39;</span><span class="p">],</span><span class="mi">6</span><span class="p">,</span><span class="nb">zip</span><span class="p">([</span><span class="s">&quot; a = &quot;</span><span class="p">,</span><span class="s">&quot; alpha = &quot;</span><span class="p">,</span><span class="s">&quot; Vol = &quot;</span><span class="p">],[</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">],[</span><span class="bp">True</span><span class="p">,</span><span class="bp">True</span><span class="p">,</span><span class="bp">False</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">3</span><span class="p">,</span><span class="mi">0</span><span class="p">])],</span>
             <span class="p">[[</span><span class="s">&#39;3&#39;</span><span class="p">,</span><span class="s">&#39;3m1&#39;</span><span class="p">,</span><span class="s">&#39;31m&#39;</span><span class="p">,</span><span class="s">&#39;6/m&#39;</span><span class="p">,</span><span class="s">&#39;6/mmm&#39;</span><span class="p">,</span><span class="s">&#39;4/m&#39;</span><span class="p">,</span><span class="s">&#39;4/mmm&#39;</span><span class="p">],</span><span class="mi">6</span><span class="p">,</span><span class="nb">zip</span><span class="p">([</span><span class="s">&quot; a = &quot;</span><span class="p">,</span><span class="s">&quot; c = &quot;</span><span class="p">,</span><span class="s">&quot; Vol = &quot;</span><span class="p">],[</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">],[</span><span class="bp">True</span><span class="p">,</span><span class="bp">True</span><span class="p">,</span><span class="bp">False</span><span class="p">],[</span><span class="mi">0</span><span class="p">,</span><span class="mi">2</span><span class="p">,</span><span class="mi">0</span><span class="p">])],</span>
             <span class="p">[[</span><span class="s">&#39;mmm&#39;</span><span class="p">],</span><span class="mi">8</span><span class="p">,</span><span class="nb">zip</span><span class="p">([</span><span class="s">&quot; a = &quot;</span><span class="p">,</span><span class="s">&quot; b = &quot;</span><span class="p">,</span><span class="s">&quot; c = &quot;</span><span class="p">,</span><span class="s">&quot; Vol = &quot;</span><span class="p">],[</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.5f</span><span class="s">&quot;</span><span class="p">,</span><span class="s">&quot;</span><span class="si">%.3f</span><span class="s">&quot;</span><span class="p">],</span>
@@ -408 +513 @@
                     <span class="k">if</span> <span class="n">denSizer</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
                         <span class="n">denSizer</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">mattCoeff</span><span class="p">))</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">cell</span>
             
             <span class="n">cell</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">]</span>
@@ -561 +665 @@
         <span class="k">def</span> <span class="nf">ModulatedSizer</span><span class="p">(</span><span class="n">name</span><span class="p">):</span>
             
-            <span class="k">def</span> <span class="nf">OnSuperGp</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>   <span class="c">#need a check on supersymmetry group rules here!</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+            <span class="k">def</span> <span class="nf">OnSuperGp</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+                <span class="n">SSymbol</span> <span class="o">=</span> <span class="n">superGp</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">E</span><span class="p">,</span><span class="n">SSGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSpcGroup</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">],</span><span class="n">SSymbol</span><span class="p">)</span>
+                <span class="k">if</span> <span class="n">SSGData</span><span class="p">:</span>
+                    <span class="n">Vec</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>     <span class="c">#(3+1) only</span>
+                    <span class="n">modSymb</span> <span class="o">=</span> <span class="n">SSGData</span><span class="p">[</span><span class="s">&#39;modSymb&#39;</span><span class="p">]</span>
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSGModCheck</span><span class="p">(</span><span class="n">Vec</span><span class="p">,</span><span class="n">modSymb</span><span class="p">)[</span><span class="mi">0</span><span class="p">]</span>
+                    <span class="n">text</span><span class="p">,</span><span class="n">table</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSGPrint</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">],</span><span class="n">SSGData</span><span class="p">)</span>
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SSGData&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSGData</span>
+                    <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">SSymbol</span>
+                    <span class="n">msg</span> <span class="o">=</span> <span class="s">&#39;Superspace Group Information&#39;</span>
+                    <span class="n">G2gd</span><span class="o">.</span><span class="n">SGMessageBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">msg</span><span class="p">,</span><span class="n">text</span><span class="p">,</span><span class="n">table</span><span class="p">)</span><span class="o">.</span><span class="n">Show</span><span class="p">()</span>
+                <span class="k">else</span><span class="p">:</span>
+                    <span class="n">text</span> <span class="o">=</span> <span class="p">[</span><span class="n">E</span><span class="o">+</span><span class="s">&#39;</span><span class="se">\n</span><span class="s">Superspace Group set to previous&#39;</span><span class="p">]</span>
+                    <span class="n">superGp</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">])</span>
+                    <span class="n">msg</span> <span class="o">=</span> <span class="s">&#39;Superspace Group Error&#39;</span>
+                    <span class="n">Style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ICON_EXCLAMATION</span>
+                    <span class="n">Text</span> <span class="o">=</span> <span class="s">&#39;</span><span class="se">\n</span><span class="s">&#39;</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">text</span><span class="p">)</span>
+                    <span class="n">wx</span><span class="o">.</span><span class="n">MessageBox</span><span class="p">(</span><span class="n">Text</span><span class="p">,</span><span class="n">caption</span><span class="o">=</span><span class="n">msg</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">Style</span><span class="p">)</span>
+                <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>                
             
             <span class="k">def</span> <span class="nf">OnDim</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -571 +693 @@
                 <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
                 <span class="n">ind</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="n">vec</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span><span class="o">.</span><span class="n">split</span><span class="p">()</span>
+                <span class="n">val</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
                 <span class="k">try</span><span class="p">:</span>
-                    <span class="n">Vec</span> <span class="o">=</span> <span class="p">[</span><span class="nb">float</span><span class="p">(</span><span class="n">vec</span><span class="p">[</span><span class="n">i</span><span class="p">])</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">3</span><span class="p">)]</span>
-                <span class="k">except</span> <span class="p">(</span><span class="ne">ValueError</span><span class="p">,</span><span class="ne">IndexError</span><span class="p">):</span>
-                    <span class="n">Vec</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">ind</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
-                <span class="k">if</span> <span class="ow">not</span> <span class="n">np</span><span class="o">.</span><span class="n">any</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">Vec</span><span class="p">)):</span>
-                    <span class="n">Vec</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">ind</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;modVects&#39;</span><span class="p">][</span><span class="n">ind</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">hkl</span>
-                <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="n">Vec</span>
-                <span class="n">Obj</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">))</span> 
+                    <span class="n">val</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="mf">1.0</span><span class="p">,</span><span class="nb">max</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span><span class="nb">float</span><span class="p">(</span><span class="n">val</span><span class="p">)))</span>
+                <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
+                    <span class="n">val</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ind</span><span class="p">]</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ind</span><span class="p">]</span> <span class="o">=</span> <span class="n">val</span>
+                <span class="n">Obj</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ind</span><span class="p">]))</span> 
                 
             <span class="k">def</span> <span class="nf">OnVecRef</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
-                <span class="n">ind</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">ind</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">Ref</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
                 
             <span class="k">def</span> <span class="nf">OnMax</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
-                <span class="n">ind</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">ind</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">())</span>
+                <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">Max</span><span class="o">.</span><span class="n">GetValue</span><span class="p">())</span>
             
             <span class="n">Indx</span> <span class="o">=</span> <span class="p">{}</span>
-            <span class="n">modSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
-            <span class="n">dimSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
-            <span class="n">dimSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; &#39;</span><span class="o">+</span><span class="n">name</span><span class="o">.</span><span class="n">capitalize</span><span class="p">()</span><span class="o">+</span><span class="s">&#39; structure controls: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">dimSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Modulated structure dimension: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">dimChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;1&#39;</span><span class="p">]</span>       <span class="c"># restricted to (3+1) superlattices for now</span>
-            <span class="n">dim</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="nb">str</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]),</span><span class="n">choices</span><span class="o">=</span><span class="n">dimChoice</span><span class="p">,</span>
+            <span class="n">ssSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
+            <span class="n">modSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
+            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; &#39;</span><span class="o">+</span><span class="n">name</span><span class="o">.</span><span class="n">capitalize</span><span class="p">()</span><span class="o">+</span><span class="s">&#39; structure controls: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Superspace group: &#39;</span><span class="o">+</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">]),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">SSChoice</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">ssdict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">],[])</span>
+            <span class="k">if</span> <span class="n">SSChoice</span><span class="p">:</span>
+                <span class="n">superGp</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">SSChoice</span><span class="p">,</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>   <span class="c">#wx.CB_READONLY|</span>
+                <span class="n">superGp</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnSuperGp</span><span class="p">)</span>
+                <span class="n">superGp</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnSuperGp</span><span class="p">)</span>
+            <span class="k">else</span><span class="p">:</span>   <span class="c">#nonstandard space group symbol not in my dictionary</span>
+                <span class="n">superGp</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">superGp</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnSuperGp</span><span class="p">)</span>                        
+            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">superGp</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Max index: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">indChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;1&#39;</span><span class="p">,</span><span class="s">&#39;2&#39;</span><span class="p">,</span><span class="s">&#39;3&#39;</span><span class="p">,</span><span class="s">&#39;4&#39;</span><span class="p">,</span><span class="s">&#39;5&#39;</span><span class="p">,</span><span class="s">&#39;6&#39;</span><span class="p">,</span><span class="s">&#39;7&#39;</span><span class="p">]</span>
+            <span class="n">Max</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">]),</span><span class="n">choices</span><span class="o">=</span><span class="n">indChoice</span><span class="p">,</span>
                 <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
-            <span class="n">dim</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnDim</span><span class="p">)</span>
-            <span class="n">dimSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">dim</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">dimSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Superspace group: &#39;</span><span class="o">+</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SpGrp&#39;</span><span class="p">]),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">superGp</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">],</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
-            <span class="n">superGp</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnSuperGp</span><span class="p">)</span>        
-            <span class="n">superGp</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnSuperGp</span><span class="p">)</span>
-            <span class="n">dimSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">superGp</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">dimSizer</span><span class="p">)</span>
+            <span class="n">Max</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnMax</span><span class="p">)</span>        
+            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Max</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">ssSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">modSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">vecSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
-            <span class="n">indChoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;0&#39;</span><span class="p">,</span><span class="s">&#39;1&#39;</span><span class="p">,</span><span class="s">&#39;2&#39;</span><span class="p">,</span><span class="s">&#39;3&#39;</span><span class="p">,</span><span class="s">&#39;4&#39;</span><span class="p">,</span><span class="s">&#39;5&#39;</span><span class="p">,</span><span class="s">&#39;6&#39;</span><span class="p">,</span><span class="s">&#39;7&#39;</span><span class="p">]</span>
-            <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">])):</span>
-                <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Modulation vector #</span><span class="si">%d</span><span class="s">: &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">i</span><span class="o">+</span><span class="mi">1</span><span class="p">)),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">vec</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
-                <span class="n">Vec</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span>
-                    <span class="n">value</span><span class="o">=</span><span class="s">&#39; </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">vec</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">vec</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">vec</span><span class="p">[</span><span class="mi">2</span><span class="p">]),</span>
-                    <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
-                <span class="n">Vec</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnVec</span><span class="p">)</span>        
-                <span class="n">Vec</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnVec</span><span class="p">)</span>
-                <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Vec</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">Indx</span><span class="p">[</span><span class="n">Vec</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">i</span>
-                <span class="n">Ref</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Refine?&#39;</span><span class="p">)</span>
-                <span class="n">Ref</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span>
-                <span class="n">Indx</span><span class="p">[</span><span class="n">Ref</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">i</span>
-                <span class="n">Ref</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnVecRef</span><span class="p">)</span>
-                <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Ref</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; max index: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">Max</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="n">i</span><span class="p">][</span><span class="mi">2</span><span class="p">]),</span><span class="n">choices</span><span class="o">=</span><span class="n">indChoice</span><span class="p">,</span>
-                    <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
-                <span class="n">Max</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnMax</span><span class="p">)</span>        
-                <span class="n">Max</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnMax</span><span class="p">)</span>
-                <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Max</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">Indx</span><span class="p">[</span><span class="n">Max</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">i</span>
-            <span class="n">modSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">vecSizer</span><span class="p">)</span>
-            <span class="k">return</span> <span class="n">modSizer</span>
+            <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Modulation vector: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">modS</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">splitSSsym</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">])[</span><span class="mi">0</span><span class="p">]</span>
+            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">ifShow</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSGModCheck</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">modS</span><span class="p">)</span>
+            <span class="n">vec</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
+            <span class="k">for</span> <span class="n">i</span><span class="p">,[</span><span class="n">val</span><span class="p">,</span><span class="n">show</span><span class="p">]</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">ifShow</span><span class="p">)):</span>
+                <span class="k">if</span> <span class="n">show</span><span class="p">:</span>
+                    <span class="n">modVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">val</span><span class="p">)),</span>
+                        <span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">50</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                    <span class="n">modVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnVec</span><span class="p">)</span>        
+                    <span class="n">modVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnVec</span><span class="p">)</span>
+                    <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">modVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                    <span class="n">Indx</span><span class="p">[</span><span class="n">modVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">i</span>
+                <span class="k">else</span><span class="p">:</span>
+                    <span class="n">modVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">val</span><span class="p">)),</span>
+                        <span class="n">size</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">Size</span><span class="p">(</span><span class="mi">50</span><span class="p">,</span><span class="mi">20</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
+                    <span class="n">modVal</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
+                    <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">modVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">Ref</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Refine?&#39;</span><span class="p">)</span>
+            <span class="n">Ref</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span>
+            <span class="n">Ref</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnVecRef</span><span class="p">)</span>
+            <span class="n">vecSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Ref</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">ssSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">vecSizer</span><span class="p">)</span>
+            <span class="k">return</span> <span class="n">ssSizer</span>
             
         <span class="k">def</span> <span class="nf">MapSizer</span><span class="p">():</span>
@@ -641 +759 @@
                 
             <span class="k">def</span> <span class="nf">OnRefList</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">refList</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">dlg</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">G2MultiChoiceDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="s">&#39;Select reflection sets to use&#39;</span><span class="p">,</span>
+                    <span class="s">&#39;Use data&#39;</span><span class="p">,</span><span class="n">refsList</span><span class="p">,</span><span class="n">filterBox</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>
+                <span class="k">try</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span>
+                        <span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">refsList</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">dlg</span><span class="o">.</span><span class="n">GetSelections</span><span class="p">()]</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="k">return</span>
+                <span class="k">finally</span><span class="p">:</span>
+                    <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+                <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>                
                 
             <span class="k">def</span> <span class="nf">OnResVal</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -665 +792 @@
                 <span class="n">Map</span><span class="p">[</span><span class="s">&#39;cutOff&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">100.0</span>
             <span class="n">mapTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Fobs&#39;</span><span class="p">,</span><span class="s">&#39;Fcalc&#39;</span><span class="p">,</span><span class="s">&#39;delt-F&#39;</span><span class="p">,</span><span class="s">&#39;2*Fo-Fc&#39;</span><span class="p">,</span><span class="s">&#39;Omit&#39;</span><span class="p">,</span><span class="s">&#39;2Fo-Fc Omit&#39;</span><span class="p">,</span><span class="s">&#39;Patterson&#39;</span><span class="p">]</span>
-            <span class="n">refList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
+            <span class="n">refsList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
             <span class="k">if</span> <span class="ow">not</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomTypes&#39;</span><span class="p">]:</span>
                  <span class="n">mapTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Patterson&#39;</span><span class="p">,]</span>
@@ -672 +799 @@
             <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Fourier map controls: Map type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">mapType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span>
+            <span class="n">mapType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span>
                 <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
             <span class="n">mapType</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnMapType</span><span class="p">)</span>
             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapType</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
-                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
-            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
+            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Reflection sets: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="k">if</span> <span class="s">&#39;list&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])):</span>     <span class="c">#patch</span>
+                <span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],]</span>
+            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span>
+                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Button</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Select reflection sets&#39;</span><span class="p">)</span>
+            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_BUTTON</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">refList</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">lineSizer</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
@@ -700 +830 @@
             
             <span class="k">def</span> <span class="nf">OnRefList</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">refList</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">dlg</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">G2MultiChoiceDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="s">&#39;Select reflection sets to use&#39;</span><span class="p">,</span>
+                    <span class="s">&#39;Use data&#39;</span><span class="p">,</span><span class="n">refsList</span><span class="p">,</span><span class="n">filterBox</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>
+                <span class="k">try</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span>
+                        <span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">refsList</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">dlg</span><span class="o">.</span><span class="n">GetSelections</span><span class="p">()]</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="k">return</span>
+                <span class="k">finally</span><span class="p">:</span>
+                    <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+                <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateGeneral</span><span class="p">)</span>                
                 
             <span class="k">def</span> <span class="nf">OnNormElem</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -736 +875 @@
                 <span class="n">kMax</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&quot;</span><span class="si">%.1f</span><span class="s">&quot;</span><span class="o">%</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;k-Max&#39;</span><span class="p">]))</span>          <span class="c">#reset in case of error</span>
 
-            <span class="n">refList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
+            <span class="n">refsList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
             <span class="n">flipSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
             <span class="n">lineSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
-            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Charge flip controls: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">refList</span><span class="p">,</span>
-                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
-            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
+            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Charge flip controls: Reflection sets: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="k">if</span> <span class="s">&#39;list&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])):</span>     <span class="c">#patch</span>
+                <span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],]</span>
+            <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Flip</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span>
+                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Button</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Select reflection sets&#39;</span><span class="p">)</span>
+            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_BUTTON</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">refList</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">lineSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Normalizing element: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
@@ -958 +1100 @@
         
         <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
-            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">General</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;NB: This does nothing yet&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_SINGLEMCSA</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MULTIMCSA</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_4DCHARGEFLIP</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ModulatedSizer</span><span class="p">(</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]))</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_SINGLEMCSA</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MULTIMCSA</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">GeneralCalc</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_4DCHARGEFLIP</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
 
         <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">PawleySizer</span><span class="p">())</span>
@@ -972 +1120 @@
             <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">General</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">MCSASizer</span><span class="p">())</span>
+        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
         <span class="n">SetPhaseWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">General</span><span class="p">,</span><span class="n">mainSizer</span><span class="p">)</span>
-        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
 
 <span class="c">################################################################################</span>
@@ -979 +1127 @@
 <span class="c">################################################################################</span>
 
+    <span class="n">SSdefault</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;SS1&#39;</span><span class="p">:{</span><span class="s">&#39;waveType&#39;</span><span class="p">:</span><span class="s">&#39;Fourier&#39;</span><span class="p">,</span><span class="s">&#39;crenelType&#39;</span><span class="p">:</span><span class="bp">None</span><span class="p">,</span><span class="s">&#39;Sfrac&#39;</span><span class="p">:[],</span><span class="s">&#39;Spos&#39;</span><span class="p">:[],</span><span class="s">&#39;Sadp&#39;</span><span class="p">:[],</span><span class="s">&#39;Smag&#39;</span><span class="p">:[]}}</span>
     <span class="k">def</span> <span class="nf">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">):</span>
         <span class="sd">&#39;&#39;&#39;Display the contents of the Atoms tab</span>
@@ -993 +1142 @@
                 <span class="k">if</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="o">==</span> <span class="s">&#39;refine&#39;</span><span class="p">:</span>
                     <span class="n">Type</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span>
-                    <span class="k">if</span> <span class="n">Type</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;nuclear&#39;</span><span class="p">,</span><span class="s">&#39;macromolecular&#39;</span><span class="p">]:</span>
+                    <span class="k">if</span> <span class="n">Type</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;nuclear&#39;</span><span class="p">,</span><span class="s">&#39;macromolecular&#39;</span><span class="p">,</span><span class="s">&#39;modulated&#39;</span><span class="p">]:</span>
                         <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;F - site fraction&#39;</span><span class="p">,</span><span class="s">&#39;X - coordinates&#39;</span><span class="p">,</span><span class="s">&#39;U - thermal parameters&#39;</span><span class="p">]</span>
                     <span class="k">elif</span> <span class="n">Type</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
@@ -1077 +1226 @@
                     <span class="n">ss</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;site sym&#39;</span><span class="p">)</span>
                     <span class="k">for</span> <span class="n">r</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetNumberRows</span><span class="p">()):</span>
-                        <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                        <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ui</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span>
                         <span class="k">if</span> <span class="n">parms</span> <span class="o">!=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="o">==</span> <span class="s">&#39;I/A&#39;</span><span class="p">:</span>
                             <span class="k">if</span> <span class="n">parms</span> <span class="o">==</span> <span class="s">&#39;A&#39;</span><span class="p">:</span>                <span class="c">#&#39;I&#39; --&gt; &#39;A&#39;</span>
@@ -1102 +1251 @@
                         <span class="k">if</span> <span class="ow">not</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">IsReadOnly</span><span class="p">(</span><span class="n">r</span><span class="p">,</span><span class="n">c</span><span class="p">):</span>
                             <span class="k">if</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="o">==</span> <span class="s">&#39;refine&#39;</span><span class="p">:</span>
-                                <span class="n">rbExcl</span> <span class="o">=</span> <span class="n">rbAtmDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span><span class="s">&#39;&#39;</span><span class="p">)</span>
+                                <span class="n">rbExcl</span> <span class="o">=</span> <span class="n">rbAtmDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ui</span><span class="o">+</span><span class="mi">6</span><span class="p">],</span><span class="s">&#39;&#39;</span><span class="p">)</span>
                                 <span class="k">if</span> <span class="n">rbExcl</span><span class="p">:</span>
                                     <span class="k">for</span> <span class="n">excl</span> <span class="ow">in</span> <span class="n">rbExcl</span><span class="p">:</span>
@@ -1121 +1270 @@
             <span class="n">r</span><span class="p">,</span><span class="n">c</span> <span class="o">=</span>  <span class="n">event</span><span class="o">.</span><span class="n">GetRow</span><span class="p">(),</span><span class="n">event</span><span class="o">.</span><span class="n">GetCol</span><span class="p">()</span>
             <span class="k">if</span> <span class="n">r</span> <span class="o">&gt;=</span> <span class="mi">0</span> <span class="ow">and</span> <span class="n">c</span> <span class="o">&gt;=</span> <span class="mi">0</span><span class="p">:</span>
-                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
+                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
                 <span class="k">if</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]:</span>
                     <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;x&#39;</span><span class="p">)</span>
@@ -1175 +1325 @@
                             <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">i</span><span class="o">+</span><span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;U11&#39;</span><span class="p">)]</span> <span class="o">=</span> <span class="n">value</span><span class="o">*</span><span class="n">CSI</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="n">i</span><span class="p">]</span>
                 <span class="k">elif</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="o">==</span> <span class="s">&#39;refine&#39;</span><span class="p">:</span>
-                    <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="n">rbAtmDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span><span class="s">&#39;&#39;</span><span class="p">),</span><span class="s">&#39;&#39;</span><span class="p">)</span>
+                    <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
+                    <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="n">rbAtmDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">],</span><span class="s">&#39;&#39;</span><span class="p">),</span><span class="s">&#39;&#39;</span><span class="p">)</span>
                 <span class="k">if</span> <span class="s">&#39;Atoms&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>
                     <span class="n">DrawAtomsReplaceByID</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">],</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">],</span><span class="n">ID</span><span class="p">)</span>
@@ -1197 +1348 @@
                 <span class="n">value</span> <span class="o">=</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetCellValue</span><span class="p">(</span><span class="n">r</span><span class="p">,</span><span class="n">c</span><span class="p">)</span>
                 <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">c</span><span class="p">]</span> <span class="o">=</span> <span class="n">value</span>
-                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
+                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
                 <span class="k">if</span> <span class="s">&#39;Atoms&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>
                     <span class="n">DrawAtomsReplaceByID</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">],</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">],</span><span class="n">ID</span><span class="p">)</span>
@@ -1213 +1365 @@
                     <span class="n">Atoms</span><span class="o">.</span><span class="n">ClearSelection</span><span class="p">()</span>
             <span class="k">elif</span> <span class="n">c</span> <span class="o">&lt;</span> <span class="mi">0</span><span class="p">:</span>                   <span class="c">#only row clicks</span>
+                <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
                 <span class="k">if</span> <span class="n">event</span><span class="o">.</span><span class="n">ControlDown</span><span class="p">()</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">event</span><span class="o">.</span><span class="n">ShiftDown</span><span class="p">():</span>                    
                     <span class="k">if</span> <span class="n">r</span> <span class="ow">in</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">():</span>
@@ -1227 +1380 @@
                         <span class="n">Atoms</span><span class="o">.</span><span class="n">SelectRow</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
                 <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">AltDown</span><span class="p">()</span> <span class="ow">or</span> <span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">ShiftDown</span><span class="p">()</span> <span class="ow">and</span> <span class="n">event</span><span class="o">.</span><span class="n">ControlDown</span><span class="p">()):</span>
-                    <span class="k">if</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
-                        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;**** ERROR - atom is in a rigid body and can not be moved ****&#39;</span><span class="p">)</span>
+                    <span class="k">if</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
+                        <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Atom move error&#39;</span><span class="p">,</span><span class="s">&#39;Atoms in rigid bodies can not be moved&#39;</span><span class="p">)</span>
                         <span class="n">Atoms</span><span class="o">.</span><span class="n">frm</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
                         <span class="n">Atoms</span><span class="o">.</span><span class="n">ClearSelection</span><span class="p">()</span>
@@ -1283 +1436 @@
             <span class="n">attr</span><span class="o">.</span><span class="n">SetEditor</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GridFractionEditor</span><span class="p">(</span><span class="n">Atoms</span><span class="p">))</span>
             <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">colX</span><span class="p">,</span><span class="n">colX</span><span class="o">+</span><span class="mi">3</span><span class="p">):</span>
+                <span class="n">attr</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">grid</span><span class="o">.</span><span class="n">GridCellAttr</span><span class="p">()</span>
+                <span class="n">attr</span><span class="o">.</span><span class="n">IncRef</span><span class="p">()</span>               <span class="c">#fix from Jim Hester</span>
+                <span class="n">attr</span><span class="o">.</span><span class="n">SetEditor</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GridFractionEditor</span><span class="p">(</span><span class="n">Atoms</span><span class="p">))</span>
                 <span class="n">Atoms</span><span class="o">.</span><span class="n">SetColAttr</span><span class="p">(</span><span class="n">c</span><span class="p">,</span> <span class="n">attr</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">colU11</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">colU11</span><span class="o">+</span><span class="mi">6</span><span class="p">):</span>
                 <span class="n">Atoms</span><span class="o">.</span><span class="n">SetColSize</span><span class="p">(</span><span class="n">i</span><span class="p">,</span><span class="mi">50</span><span class="p">)</span>            
             <span class="k">for</span> <span class="n">row</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetNumberRows</span><span class="p">()):</span>
-                <span class="n">atId</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">row</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">atId</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">row</span><span class="p">][</span><span class="n">colIA</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
                 <span class="n">rbExcl</span> <span class="o">=</span> <span class="n">rbAtmDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">atId</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">)</span>
                 <span class="n">Atoms</span><span class="o">.</span><span class="n">SetReadOnly</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">colSS</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>                         <span class="c">#site sym</span>
@@ -1301 +1457 @@
                     <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellTextColour</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">colUiso</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
                     <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">6</span><span class="p">):</span>
-                        <span class="n">ci</span> <span class="o">=</span> <span class="n">colU11</span><span class="o">+</span><span class="n">i</span>
-                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellTextColour</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">ci</span><span class="p">,</span><span class="n">BLACK</span><span class="p">)</span>
-                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">ci</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
+                        <span class="n">cj</span> <span class="o">=</span> <span class="n">colU11</span><span class="o">+</span><span class="n">i</span>
+                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellTextColour</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">cj</span><span class="p">,</span><span class="n">BLACK</span><span class="p">)</span>
+                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">cj</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
                         <span class="k">if</span> <span class="n">CSI</span><span class="p">[</span><span class="mi">2</span><span class="p">][</span><span class="n">i</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;U&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">rbExcl</span><span class="p">:</span>
-                            <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">ci</span><span class="p">,</span><span class="n">WHITE</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
+                            <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">cj</span><span class="p">,</span><span class="n">WHITE</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
                     <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">colUiso</span><span class="p">,</span><span class="n">WHITE</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
@@ -1312 +1468 @@
                         <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">colUiso</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
                     <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">6</span><span class="p">):</span>
-                        <span class="n">ci</span> <span class="o">=</span> <span class="n">colU11</span><span class="o">+</span><span class="n">i</span>
-                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">ci</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
-                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellTextColour</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">ci</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
+                        <span class="n">cj</span> <span class="o">=</span> <span class="n">colU11</span><span class="o">+</span><span class="n">i</span>
+                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellStyle</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">cj</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
+                        <span class="n">Atoms</span><span class="o">.</span><span class="n">SetCellTextColour</span><span class="p">(</span><span class="n">row</span><span class="p">,</span><span class="n">cj</span><span class="p">,</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
                 <span class="k">if</span> <span class="s">&#39;X&#39;</span> <span class="ow">in</span> <span class="n">rbExcl</span><span class="p">:</span>
                     <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="n">colX</span><span class="o">+</span><span class="mi">3</span><span class="p">):</span>
@@ -1322 +1478 @@
 
         <span class="c"># FillAtomsGrid executable code starts here</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>                 <span class="c">#if new drawing - no drawing data!</span>
+            <span class="n">SetupDrawingData</span><span class="p">()</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
         <span class="n">atomData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span>
@@ -1336 +1494 @@
         <span class="c"># exclList will be &#39;x&#39; or &#39;xu&#39; if TLS used in RB</span>
         <span class="n">Items</span> <span class="o">=</span> <span class="p">[</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITDELETE</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSREFINE</span><span class="p">,</span> 
-            <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSMODIFY</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSTRANSFORM</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span>
+            <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSMODIFY</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSTRANSFORM</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MAKEMOLECULE</span><span class="p">,</span>
+            <span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">,</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">]</span>
         <span class="k">if</span> <span class="n">atomData</span><span class="p">:</span>
             <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span>    
@@ -1350 +1509 @@
             <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">Items</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="o">.</span><span class="n">Enable</span><span class="p">(</span><span class="n">item</span><span class="p">,</span><span class="bp">False</span><span class="p">)</span>
-
         <span class="n">AAchoice</span> <span class="o">=</span> <span class="s">&quot;: ,ALA,ARG,ASN,ASP,CYS,GLN,GLU,GLY,HIS,ILE,LEU,LYS,MET,PHE,PRO,SER,THR,TRP,TYR,VAL,MSE,HOH,UNK&quot;</span>
         <span class="n">Types</span> <span class="o">=</span> <span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_STRING</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_CHOICE</span><span class="o">+</span><span class="s">&quot;: ,X,XU,U,F,FX,FXU,FU&quot;</span><span class="p">,]</span><span class="o">+</span> \
@@ -1406 +1564 @@
             <span class="n">atomData</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">Name</span><span class="p">,</span><span class="n">El</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">atId</span><span class="p">])</span>
         <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">]:</span>
-            <span class="n">atomData</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">Name</span><span class="p">,</span><span class="n">El</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,[],[],[],[],</span><span class="n">atId</span><span class="p">])</span>
+            <span class="n">atomData</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">Name</span><span class="p">,</span><span class="n">El</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">atId</span><span class="p">,[],[],</span><span class="n">SSdefault</span><span class="p">])</span>
         <span class="n">SetupGeneral</span><span class="p">()</span>
         <span class="k">if</span> <span class="s">&#39;Atoms&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>            
@@ -1431 +1589 @@
         <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetNumberCols</span><span class="p">())]</span>
         <span class="n">cx</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;x&#39;</span><span class="p">)</span>
+        <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
         <span class="n">indx</span> <span class="o">=</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">()</span>
         <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">indx</span><span class="p">)</span> <span class="o">!=</span> <span class="mi">1</span><span class="p">:</span>
-            <span class="k">print</span> <span class="s">&#39;**** ERROR - only one atom can be moved ****&#39;</span>
-        <span class="k">elif</span> <span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
-            <span class="k">print</span> <span class="s">&#39;**** ERROR - Atoms in rigid bodies can not be moved ****&#39;</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Atom move error&#39;</span><span class="p">,</span><span class="s">&#39;Only one atom can be moved&#39;</span><span class="p">)</span>
+        <span class="k">elif</span> <span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Atom move error&#39;</span><span class="p">,</span><span class="s">&#39;Atoms in rigid bodies can not be moved&#39;</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
             <span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="n">cx</span><span class="p">:</span><span class="n">cx</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">]</span>
             <span class="n">SetupGeneral</span><span class="p">()</span>
             <span class="n">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">)</span>
-            <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+            <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
             <span class="n">DrawAtomsReplaceByID</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">],</span><span class="n">atomData</span><span class="p">[</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">]],</span><span class="n">ID</span><span class="p">)</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
@@ -1459 +1618 @@
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
         <span class="n">SGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span>
-        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;nuclear&#39;</span><span class="p">:</span>
+        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;nuclear&#39;</span><span class="p">,</span><span class="s">&#39;modulated&#39;</span><span class="p">,]:</span>
             <span class="k">if</span> <span class="n">oldatom</span><span class="p">:</span>
                 <span class="n">opr</span> <span class="o">=</span> <span class="n">oldatom</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span>
@@ -1500 +1659 @@
                 <span class="n">atomData</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="n">indx</span><span class="p">,[</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">atId</span><span class="p">])</span>
             <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">]:</span>
-                <span class="n">atomData</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="n">indx</span><span class="p">,[</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,[],[],[],[],</span><span class="n">atId</span><span class="p">])</span>
+                <span class="n">atomData</span><span class="o">.</span><span class="n">insert</span><span class="p">(</span><span class="n">indx</span><span class="p">,[</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;UNK&#39;</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">Sytsym</span><span class="p">,</span><span class="n">Mult</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="s">&#39;I&#39;</span><span class="p">,</span><span class="mf">0.01</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">atId</span><span class="p">,[],[],</span><span class="n">SSdefault</span><span class="p">])</span>
             <span class="n">SetupGeneral</span><span class="p">()</span>
 
     <span class="k">def</span> <span class="nf">AtomDelete</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+        <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetNumberCols</span><span class="p">())]</span>
+        <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
         <span class="n">indx</span> <span class="o">=</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">()</span>
         <span class="n">IDs</span> <span class="o">=</span> <span class="p">[]</span>
@@ -1511 +1672 @@
             <span class="k">for</span> <span class="n">ind</span> <span class="ow">in</span> <span class="n">indx</span><span class="p">:</span>
                 <span class="n">atom</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span>
-                <span class="k">if</span> <span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">atom</span><span class="p">[</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span> <span class="ow">in</span> <span class="n">rbAtmDict</span><span class="p">:</span>
                     <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;**** ERROR - atom is in a rigid body and can not be deleted ****&#39;</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="n">IDs</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">])</span>
+                    <span class="n">IDs</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">])</span>
                     <span class="k">del</span> <span class="n">atomData</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span>
             <span class="k">if</span> <span class="s">&#39;Atoms&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>
@@ -1553 +1714 @@
             <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
             <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetColLabelValue</span><span class="p">(</span><span class="n">c</span><span class="p">)</span> <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">Atoms</span><span class="o">.</span><span class="n">GetNumberCols</span><span class="p">())]</span>
+            <span class="n">ci</span> <span class="o">=</span> <span class="n">colLabels</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;I/A&#39;</span><span class="p">)</span>
             <span class="n">choices</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">,</span><span class="s">&#39;Name&#39;</span><span class="p">,</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;frac&#39;</span><span class="p">,</span><span class="s">&#39;I/A&#39;</span><span class="p">,</span><span class="s">&#39;Uiso&#39;</span><span class="p">]</span>
             <span class="n">dlg</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">SingleChoiceDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="s">&#39;Select&#39;</span><span class="p">,</span><span class="s">&#39;Atom parameter&#39;</span><span class="p">,</span><span class="n">choices</span><span class="p">)</span>
@@ -1576 +1738 @@
                         <span class="k">if</span> <span class="s">&#39;Atoms&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>
                             <span class="k">for</span> <span class="n">r</span> <span class="ow">in</span> <span class="n">indx</span><span class="p">:</span>
-                                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                                <span class="n">ID</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">][</span><span class="n">ci</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
                                 <span class="n">DrawAtomsReplaceByID</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">],</span><span class="n">atomData</span><span class="p">[</span><span class="n">r</span><span class="p">],</span><span class="n">ID</span><span class="p">)</span>
                     <span class="n">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">)</span>
@@ -1685 +1847 @@
             <span class="k">else</span><span class="p">:</span>
                 <span class="n">Atoms</span><span class="o">.</span><span class="n">ForceRefresh</span><span class="p">()</span>
+                
+    <span class="k">def</span> <span class="nf">MakeMolecule</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>      
+        <span class="n">indx</span> <span class="o">=</span> <span class="n">Atoms</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">()</span>
+        <span class="n">Oxyz</span> <span class="o">=</span> <span class="p">[]</span>
+        <span class="n">xyz</span> <span class="o">=</span> <span class="p">[]</span>
+        <span class="n">DisAglCtls</span> <span class="o">=</span> <span class="p">{}</span>
+        <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">indx</span><span class="p">)</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
+            <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+            <span class="k">if</span> <span class="s">&#39;DisAglCtls&#39;</span> <span class="ow">in</span> <span class="n">generalData</span><span class="p">:</span>
+                <span class="n">DisAglCtls</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;DisAglCtls&#39;</span><span class="p">]</span>
+            <span class="n">dlg</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">DisAglDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">DisAglCtls</span><span class="p">,</span><span class="n">generalData</span><span class="p">)</span>
+            <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span>
+                <span class="n">DisAglCtls</span> <span class="o">=</span> <span class="n">dlg</span><span class="o">.</span><span class="n">GetData</span><span class="p">()</span>
+            <span class="k">else</span><span class="p">:</span>
+                <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+                <span class="k">return</span>
+            <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+            <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;DisAglCtls&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">DisAglCtls</span>
+            <span class="n">atomData</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">deepcopy</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">])</span>
+            <span class="n">result</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FindMolecule</span><span class="p">(</span><span class="n">indx</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">generalData</span><span class="p">,</span><span class="n">atomData</span><span class="p">)</span>
+            <span class="k">if</span> <span class="s">&#39;str&#39;</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">result</span><span class="p">)):</span>
+                <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Assemble molecule&#39;</span><span class="p">,</span><span class="n">result</span><span class="p">)</span>
+            <span class="k">else</span><span class="p">:</span>   
+                <span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">result</span>
+            <span class="n">OnReloadDrawAtoms</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>            
+            <span class="n">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">)</span>
+            
+            
+<span class="c">#                G2frame.ErrorDialog(&#39;Distance/Angle calculation&#39;,&#39;try again but do &quot;Reset&quot; to fill in missing atom types&#39;)</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="k">print</span> <span class="s">&quot;select one atom&quot;</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Select one atom&#39;</span><span class="p">,</span><span class="s">&quot;select one atom to begin molecule build then redo&quot;</span><span class="p">)</span>
 
     <span class="k">def</span> <span class="nf">OnDistAnglePrt</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -1835 +2029 @@
                                              <span class="n">ISO</span><span class="p">[</span><span class="s">&#39;IsoModeList&#39;</span><span class="p">],</span><span class="n">modeVals</span><span class="p">,</span><span class="n">ISO</span><span class="p">[</span><span class="s">&#39;G2ModeList&#39;</span><span class="p">]):</span>
                 <span class="k">if</span> <span class="n">G2var</span> <span class="ow">in</span> <span class="n">constDict</span><span class="p">:</span>
-                    <span class="n">ch</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">HelpButton</span><span class="p">(</span><span class="n">panel2</span><span class="p">,</span><span class="n">fmtHelp</span><span class="p">(</span><span class="n">constDict</span><span class="p">[</span><span class="n">G2var</span><span class="p">],</span><span class="n">var</span><span class="p">))</span>
+                    <span class="n">ch</span> <span class="o">=</span> <span class="n">G2G</span><span class="o">.</span><span class="n">HelpButton</span><span class="p">(</span><span class="n">panel2</span><span class="p">,</span><span class="n">fmtHelp</span><span class="p">(</span><span class="n">constDict</span><span class="p">[</span><span class="n">G2var</span><span class="p">],</span><span class="n">var</span><span class="p">))</span>
                     <span class="n">subSizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ch</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">LEFT</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="o">|</span><span class="n">WACV</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -1869 +2063 @@
                                              <span class="n">ISO</span><span class="p">[</span><span class="s">&#39;OccModeList&#39;</span><span class="p">],</span><span class="n">modeVals</span><span class="p">,</span><span class="n">ISO</span><span class="p">[</span><span class="s">&#39;G2OccModeList&#39;</span><span class="p">]):</span>
                 <span class="k">if</span> <span class="n">G2var</span> <span class="ow">in</span> <span class="n">constDict</span><span class="p">:</span>
-                    <span class="n">ch</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">HelpButton</span><span class="p">(</span><span class="n">panel2</span><span class="p">,</span><span class="n">fmtHelp</span><span class="p">(</span><span class="n">constDict</span><span class="p">[</span><span class="n">G2var</span><span class="p">],</span><span class="n">var</span><span class="p">))</span>
+                    <span class="n">ch</span> <span class="o">=</span> <span class="n">G2G</span><span class="o">.</span><span class="n">HelpButton</span><span class="p">(</span><span class="n">panel2</span><span class="p">,</span><span class="n">fmtHelp</span><span class="p">(</span><span class="n">constDict</span><span class="p">[</span><span class="n">G2var</span><span class="p">],</span><span class="n">var</span><span class="p">))</span>
                     <span class="n">subSizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ch</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">wx</span><span class="o">.</span><span class="n">LEFT</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">RIGHT</span><span class="o">|</span><span class="n">WACV</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">ALIGN_CENTER</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -1936 +2130 @@
             <span class="k">try</span><span class="p">:</span>
                 <span class="n">idx</span> <span class="o">=</span> <span class="n">atomNames</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">atom</span><span class="p">[:</span><span class="n">ct</span><span class="o">+</span><span class="mi">1</span><span class="p">])</span>
+                <span class="n">atId</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
                 <span class="n">atomData</span><span class="p">[</span><span class="n">idx</span><span class="p">][:</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[:</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">atomData</span><span class="p">[</span><span class="n">idx</span><span class="p">][</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span> <span class="o">=</span> <span class="n">atId</span>
             <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
                 <span class="k">print</span> <span class="n">atom</span><span class="p">[:</span><span class="n">ct</span><span class="o">+</span><span class="mi">1</span><span class="p">],</span> <span class="s">&#39;not in Atom array; not updated&#39;</span>
@@ -1947 +2143 @@
     <span class="k">def</span> <span class="nf">UpdateWavesData</span><span class="p">():</span>
         
+        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">cia</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span>
+        
         <span class="k">def</span> <span class="nf">AtomSizer</span><span class="p">(</span><span class="n">SS</span><span class="p">,</span><span class="n">atom</span><span class="p">):</span>
             
             <span class="k">def</span> <span class="nf">OnWaveType</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-                <span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">]</span><span class="o">=</span><span class="n">waveType</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">]</span><span class="o">=</span><span class="n">waveType</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;Spos&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[]</span>
+                <span class="n">UpdateWavesData</span><span class="p">()</span>                
+                
+            <span class="k">def</span> <span class="nf">OnShowWave</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+                <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
+                <span class="n">atom</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>               
+                <span class="n">Ax</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                <span class="n">G2plt</span><span class="o">.</span><span class="n">ModulationPlot</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">atom</span><span class="p">,</span><span class="n">Ax</span><span class="p">)</span>
                 
             <span class="n">atomSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
-            <span class="n">atomSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Modulation data for atom:    &#39;</span><span class="o">+</span><span class="n">atom</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;    WaveType: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>            
-            <span class="n">waveType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">waveTypes</span><span class="p">,</span>
+            <span class="n">atomSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span>
+            <span class="s">&#39; Modulation data for atom: </span><span class="si">%s</span><span class="s">  Site sym: </span><span class="si">%s</span><span class="s">  WaveType: &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">atom</span><span class="p">[</span><span class="n">cs</span><span class="p">]</span><span class="o">.</span><span class="n">strip</span><span class="p">())),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>            
+            <span class="n">waveType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">waveTypes</span><span class="p">,</span>
                 <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
             <span class="n">waveType</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnWaveType</span><span class="p">)</span>
             <span class="n">atomSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveType</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">axchoice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]</span>
+            <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]):</span>
+                <span class="n">atomSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Show contour map for axis:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                <span class="n">mapSel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="n">choices</span><span class="o">=</span><span class="n">axchoice</span><span class="p">,</span>
+                    <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
+                <span class="n">mapSel</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnShowWave</span><span class="p">)</span>
+                <span class="n">Indx</span><span class="p">[</span><span class="n">mapSel</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">atom</span>
+                <span class="n">atomSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapSel</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="k">return</span> <span class="n">atomSizer</span>
             
-        <span class="k">def</span> <span class="nf">WaveSizer</span><span class="p">(</span><span class="n">waveBlk</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">typeName</span><span class="p">,</span><span class="n">Names</span><span class="p">):</span>
+        <span class="k">def</span> <span class="nf">WaveSizer</span><span class="p">(</span><span class="n">waveType</span><span class="p">,</span><span class="n">waveBlk</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">typeName</span><span class="p">,</span><span class="n">Names</span><span class="p">):</span>
             
             <span class="k">def</span> <span class="nf">OnAddWave</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
                 <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
                 <span class="n">iatm</span><span class="p">,</span><span class="n">item</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([[</span><span class="mf">0.0</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">numVals</span><span class="p">[</span><span class="n">Stype</span><span class="p">])],</span><span class="bp">False</span><span class="p">])</span>
+                <span class="n">nt</span> <span class="o">=</span> <span class="n">numVals</span><span class="p">[</span><span class="n">Stype</span><span class="p">]</span>
+                <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">])</span> <span class="ow">and</span> <span class="n">waveType</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;ZigZag&#39;</span><span class="p">,</span><span class="s">&#39;Sawtooth&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Spos&#39;</span><span class="p">:</span>
+                    <span class="n">nt</span> <span class="o">=</span> <span class="mi">4</span>
+                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">([[</span><span class="mf">0.0</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">nt</span><span class="p">)],</span><span class="bp">False</span><span class="p">])</span>
                 <span class="n">UpdateWavesData</span><span class="p">()</span>
                 
@@ -1974 +2193 @@
                     <span class="n">val</span> <span class="o">=</span> <span class="nb">float</span><span class="p">(</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">())</span>
                 <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
-                    <span class="n">val</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ival</span><span class="p">]</span>
+                    <span class="n">val</span> <span class="o">=</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ival</span><span class="p">]</span>
                 <span class="n">Obj</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="n">val</span><span class="p">)</span>
-                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ival</span><span class="p">]</span> <span class="o">=</span> <span class="n">val</span>
+                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ival</span><span class="p">]</span> <span class="o">=</span> <span class="n">val</span>
                 
             <span class="k">def</span> <span class="nf">OnRefWave</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
                 <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
                 <span class="n">iatm</span><span class="p">,</span><span class="n">item</span><span class="p">,</span><span class="n">iwave</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span>
                 
             <span class="k">def</span> <span class="nf">OnDelWave</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
                 <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
                 <span class="n">iatm</span><span class="p">,</span><span class="n">item</span><span class="p">,</span><span class="n">iwave</span> <span class="o">=</span> <span class="n">Indx</span><span class="p">[</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span>
-                <span class="k">del</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">]</span>
+                <span class="k">del</span> <span class="n">atomData</span><span class="p">[</span><span class="n">iatm</span><span class="p">][</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">item</span><span class="p">][</span><span class="n">iwave</span><span class="p">]</span>
                 <span class="n">UpdateWavesData</span><span class="p">()</span>                
-                
+            
             <span class="n">waveSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
             <span class="n">waveHead</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
@@ -1998 +2217 @@
             <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveHead</span><span class="p">)</span>
             <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">waveBlk</span><span class="p">):</span>
-                <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Parameters: &#39;</span><span class="o">+</span><span class="nb">str</span><span class="p">(</span><span class="n">Names</span><span class="p">)</span><span class="o">.</span><span class="n">rstrip</span><span class="p">(</span><span class="s">&#39;]&#39;</span><span class="p">)</span><span class="o">.</span><span class="n">lstrip</span><span class="p">(</span><span class="s">&#39;[&#39;</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">&quot;&#39;&quot;</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">)),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="k">if</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Sfrac&#39;</span><span class="p">:</span>
-                    <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
-                <span class="k">else</span><span class="p">:</span>
-                    <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">1</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
+                <span class="n">nFour</span> <span class="o">=</span> <span class="mi">0</span>
                 <span class="k">for</span> <span class="n">iwave</span><span class="p">,</span><span class="n">wave</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">waveBlk</span><span class="p">):</span>
+                    <span class="k">if</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">&#39;Fourier&#39;</span><span class="p">:</span>
+                        <span class="n">nFour</span> <span class="o">+=</span> <span class="mi">1</span>
+                    <span class="k">if</span> <span class="ow">not</span> <span class="n">iwave</span><span class="p">:</span>
+                        <span class="n">CSI</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">GetSSfxuinel</span><span class="p">(</span><span class="n">waveType</span><span class="p">,</span><span class="n">nFour</span><span class="p">,</span><span class="n">xyz</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSGData</span><span class="p">)</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="n">CSI</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">GetSSfxuinel</span><span class="p">(</span><span class="s">&#39;Fourier&#39;</span><span class="p">,</span><span class="n">nFour</span><span class="p">,</span><span class="n">xyz</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSGData</span><span class="p">)</span>
+                    <span class="n">waveName</span> <span class="o">=</span> <span class="s">&#39;Fourier&#39;</span>
+                    <span class="k">if</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Sfrac&#39;</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="s">&#39;Crenel&#39;</span> <span class="ow">in</span> <span class="n">waveType</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">iwave</span><span class="p">:</span>
+                            <span class="n">waveName</span> <span class="o">=</span> <span class="s">&#39;Crenel&#39;</span>
+                            <span class="n">names</span> <span class="o">=</span> <span class="n">Names</span><span class="p">[</span><span class="mi">2</span><span class="p">:]</span>
+                        <span class="k">else</span><span class="p">:</span>
+                            <span class="n">names</span> <span class="o">=</span> <span class="n">Names</span><span class="p">[:</span><span class="mi">2</span><span class="p">]</span>
+                        <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
+                    <span class="k">elif</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Spos&#39;</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="n">waveType</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;ZigZag&#39;</span><span class="p">,</span><span class="s">&#39;Sawtooth&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">iwave</span><span class="p">:</span>
+                            <span class="n">names</span> <span class="o">=</span> <span class="n">Names</span><span class="p">[</span><span class="mi">6</span><span class="p">:]</span>
+                            <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
+                            <span class="n">waveName</span> <span class="o">=</span> <span class="n">waveType</span>
+                        <span class="k">else</span><span class="p">:</span>
+                            <span class="n">names</span> <span class="o">=</span> <span class="n">Names</span><span class="p">[:</span><span class="mi">6</span><span class="p">]</span>
+                            <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="n">names</span> <span class="o">=</span> <span class="n">Names</span>
+                        <span class="n">Waves</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
+                    <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; </span><span class="si">%s</span><span class="s">  parameters: </span><span class="si">%s</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">waveName</span><span class="p">,</span><span class="nb">str</span><span class="p">(</span><span class="n">names</span><span class="p">)</span><span class="o">.</span><span class="n">rstrip</span><span class="p">(</span><span class="s">&#39;]&#39;</span><span class="p">)</span><span class="o">.</span><span class="n">lstrip</span><span class="p">(</span><span class="s">&#39;[&#39;</span><span class="p">)</span><span class="o">.</span><span class="n">replace</span><span class="p">(</span><span class="s">&quot;&#39;&quot;</span><span class="p">,</span><span class="s">&#39;&#39;</span><span class="p">))),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                     <span class="k">for</span> <span class="n">ival</span><span class="p">,</span><span class="n">val</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">wave</span><span class="p">[</span><span class="mi">0</span><span class="p">]):</span>
-                        <span class="n">waveVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">val</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
-                        <span class="n">waveVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnWaveVal</span><span class="p">)</span>
-                        <span class="n">waveVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnWaveVal</span><span class="p">)</span>
-                        <span class="n">Indx</span><span class="p">[</span><span class="n">waveVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">iatm</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">iwave</span><span class="p">,</span><span class="n">ival</span><span class="p">]</span>
+                        <span class="k">if</span> <span class="nb">any</span><span class="p">(</span><span class="n">CSI</span><span class="p">[</span><span class="n">Stype</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ival</span><span class="p">]):</span>
+                            <span class="n">waveVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">val</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                            <span class="n">waveVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnWaveVal</span><span class="p">)</span>
+                            <span class="n">waveVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnWaveVal</span><span class="p">)</span>
+                            <span class="n">Indx</span><span class="p">[</span><span class="n">waveVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">iatm</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">iwave</span><span class="p">,</span><span class="n">ival</span><span class="p">]</span>
+                        <span class="k">else</span><span class="p">:</span>
+                            <span class="n">waveVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">val</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_READONLY</span><span class="p">)</span>
+                            <span class="n">waveVal</span><span class="o">.</span><span class="n">SetBackgroundColour</span><span class="p">(</span><span class="n">VERY_LIGHT_GREY</span><span class="p">)</span>
                         <span class="n">Waves</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                         <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">wave</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> <span class="o">&gt;</span> <span class="mi">6</span> <span class="ow">and</span> <span class="n">ival</span> <span class="o">==</span> <span class="mi">5</span><span class="p">:</span>
@@ -2018 +2263 @@
                     <span class="n">waveRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnRefWave</span><span class="p">)</span>
                     <span class="n">Waves</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                    <span class="n">waveDel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Delete?&#39;</span><span class="p">)</span>
-                    <span class="n">Indx</span><span class="p">[</span><span class="n">waveDel</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">iatm</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">iwave</span><span class="p">]</span>
-                    <span class="n">waveDel</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnDelWave</span><span class="p">)</span>
-                    <span class="n">Waves</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveDel</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>                
-                <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Waves</span><span class="p">)</span>                    
+                    <span class="k">if</span> <span class="n">iwave</span> <span class="o">&lt;</span> <span class="nb">len</span><span class="p">(</span><span class="n">waveBlk</span><span class="p">)</span><span class="o">-</span><span class="mi">1</span><span class="p">:</span>
+                        <span class="n">Waves</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>                
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="n">waveDel</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Delete?&#39;</span><span class="p">)</span>
+                        <span class="n">Indx</span><span class="p">[</span><span class="n">waveDel</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">iatm</span><span class="p">,</span><span class="n">Stype</span><span class="p">,</span><span class="n">iwave</span><span class="p">]</span>
+                        <span class="n">waveDel</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span> <span class="n">OnDelWave</span><span class="p">)</span>
+                        <span class="n">Waves</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">waveDel</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                    <span class="n">waveSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Waves</span><span class="p">)</span>                    
             <span class="k">return</span> <span class="n">waveSizer</span>
             
+        <span class="k">def</span> <span class="nf">MapSizer</span><span class="p">():</span>
+
+            <span class="k">def</span> <span class="nf">OnRefList</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+                <span class="n">dlg</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">G2MultiChoiceDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span> <span class="s">&#39;Select reflection sets to use&#39;</span><span class="p">,</span>
+                    <span class="s">&#39;Use data&#39;</span><span class="p">,</span><span class="n">refsList</span><span class="p">,</span><span class="n">filterBox</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>
+                <span class="k">try</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span>
+                        <span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">refsList</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">dlg</span><span class="o">.</span><span class="n">GetSelections</span><span class="p">()]</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="k">return</span>
+                <span class="k">finally</span><span class="p">:</span>
+                    <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+                <span class="n">UpdateWavesData</span><span class="p">()</span>
+                
+            <span class="k">def</span> <span class="nf">OnMapType</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+                <span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapType</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
+                
+            <span class="n">Map</span><span class="p">[</span><span class="s">&#39;Resolution&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.25</span>
+            <span class="n">refsList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span>
+            <span class="n">mapSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
+            
+            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; 4D map data: Reflection set from: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="k">if</span> <span class="s">&#39;list&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="nb">type</span><span class="p">(</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])):</span>     <span class="c">#patch</span>
+                <span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],]</span>
+            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">],</span>
+                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">refList</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">Button</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39;Select reflection sets&#39;</span><span class="p">)</span>
+            <span class="n">refList</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_BUTTON</span><span class="p">,</span><span class="n">OnRefList</span><span class="p">)</span>
+            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">refList</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            
+            <span class="n">mapTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Fobs&#39;</span><span class="p">,</span><span class="s">&#39;delt-F&#39;</span><span class="p">]</span>
+            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Map type: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">mapType</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">Map</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">mapTypes</span><span class="p">,</span>
+                <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
+            <span class="n">mapType</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span><span class="n">OnMapType</span><span class="p">)</span>
+            <span class="n">mapSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">mapType</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="k">return</span> <span class="n">mapSizer</span>
+            
         <span class="n">Indx</span> <span class="o">=</span> <span class="p">{}</span>
+        <span class="n">waveData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">waveData</span>
         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">SGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span>
+        <span class="n">SSGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SSGData&#39;</span><span class="p">]</span>
         <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">cia</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span>
         <span class="n">atomData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span>
+        <span class="n">Map</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span>
         <span class="k">if</span> <span class="n">waveData</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">():</span>
             <span class="n">waveData</span><span class="o">.</span><span class="n">GetSizer</span><span class="p">()</span><span class="o">.</span><span class="n">Clear</span><span class="p">(</span><span class="bp">True</span><span class="p">)</span>
@@ -2035 +2325 @@
         <span class="n">typeNames</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;Sfrac&#39;</span><span class="p">:</span><span class="s">&#39; Site fraction&#39;</span><span class="p">,</span><span class="s">&#39;Spos&#39;</span><span class="p">:</span><span class="s">&#39; Position&#39;</span><span class="p">,</span><span class="s">&#39;Sadp&#39;</span><span class="p">:</span><span class="s">&#39; Thermal motion&#39;</span><span class="p">,</span><span class="s">&#39;Smag&#39;</span><span class="p">:</span><span class="s">&#39; Magnetic moment&#39;</span><span class="p">}</span>
         <span class="n">numVals</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;Sfrac&#39;</span><span class="p">:</span><span class="mi">2</span><span class="p">,</span><span class="s">&#39;Spos&#39;</span><span class="p">:</span><span class="mi">6</span><span class="p">,</span><span class="s">&#39;Sadp&#39;</span><span class="p">:</span><span class="mi">12</span><span class="p">,</span><span class="s">&#39;Smag&#39;</span><span class="p">:</span><span class="mi">6</span><span class="p">}</span>
-        <span class="n">posNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Xsin&#39;</span><span class="p">,</span><span class="s">&#39;Ysin&#39;</span><span class="p">,</span><span class="s">&#39;Zsin&#39;</span><span class="p">,</span><span class="s">&#39;Xcos&#39;</span><span class="p">,</span><span class="s">&#39;Ysin&#39;</span><span class="p">,</span><span class="s">&#39;Zsin&#39;</span><span class="p">]</span>
+        <span class="n">posNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Xsin&#39;</span><span class="p">,</span><span class="s">&#39;Ysin&#39;</span><span class="p">,</span><span class="s">&#39;Zsin&#39;</span><span class="p">,</span><span class="s">&#39;Xcos&#39;</span><span class="p">,</span><span class="s">&#39;Ycos&#39;</span><span class="p">,</span><span class="s">&#39;Zcos&#39;</span><span class="p">,</span><span class="s">&#39;Tzero&#39;</span><span class="p">,</span><span class="s">&#39;Xslope&#39;</span><span class="p">,</span><span class="s">&#39;Yslope&#39;</span><span class="p">,</span><span class="s">&#39;Zslope&#39;</span><span class="p">]</span>
         <span class="n">adpNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;U11sin&#39;</span><span class="p">,</span><span class="s">&#39;U22sin&#39;</span><span class="p">,</span><span class="s">&#39;U33sin&#39;</span><span class="p">,</span><span class="s">&#39;U12sin&#39;</span><span class="p">,</span><span class="s">&#39;U13sin&#39;</span><span class="p">,</span><span class="s">&#39;U23sin&#39;</span><span class="p">,</span>
             <span class="s">&#39;U11cos&#39;</span><span class="p">,</span><span class="s">&#39;U22cos&#39;</span><span class="p">,</span><span class="s">&#39;U33cos&#39;</span><span class="p">,</span><span class="s">&#39;U12cos&#39;</span><span class="p">,</span><span class="s">&#39;U13cos&#39;</span><span class="p">,</span><span class="s">&#39;U23cos&#39;</span><span class="p">]</span>
         <span class="n">magNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;MXsin&#39;</span><span class="p">,</span><span class="s">&#39;MYsin&#39;</span><span class="p">,</span><span class="s">&#39;MZsin&#39;</span><span class="p">,</span><span class="s">&#39;MXcos&#39;</span><span class="p">,</span><span class="s">&#39;MYcos&#39;</span><span class="p">,</span><span class="s">&#39;MZcos&#39;</span><span class="p">]</span>
-        <span class="n">fracNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Flen&#39;</span><span class="p">,</span><span class="s">&#39;Fcent&#39;</span><span class="p">,</span><span class="s">&#39;Fsin&#39;</span><span class="p">,</span><span class="s">&#39;Fcos&#39;</span><span class="p">]</span>
+        <span class="n">fracNames</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Fsin&#39;</span><span class="p">,</span><span class="s">&#39;Fcos&#39;</span><span class="p">,</span><span class="s">&#39;Fzero&#39;</span><span class="p">,</span><span class="s">&#39;Fwid&#39;</span><span class="p">]</span>
         <span class="n">waveTypes</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;Fourier&#39;</span><span class="p">,</span><span class="s">&#39;Sawtooth&#39;</span><span class="p">,</span><span class="s">&#39;ZigZag&#39;</span><span class="p">,</span><span class="s">&#39;Crenel/Fourier&#39;</span><span class="p">]</span>
         <span class="n">Labels</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;Spos&#39;</span><span class="p">:</span><span class="n">posNames</span><span class="p">,</span><span class="s">&#39;Sfrac&#39;</span><span class="p">:</span><span class="n">fracNames</span><span class="p">,</span><span class="s">&#39;Sadp&#39;</span><span class="p">:</span><span class="n">adpNames</span><span class="p">,</span><span class="s">&#39;Smag&#39;</span><span class="p">:</span><span class="n">magNames</span><span class="p">}</span>
         <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">waveData</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Incommensurate propagation wave data:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
         <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">]:</span>
+            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">MapSizer</span><span class="p">(),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>            
             <span class="k">for</span> <span class="n">iatm</span><span class="p">,</span><span class="n">atom</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">atomData</span><span class="p">):</span>
-                <span class="k">for</span> <span class="n">SS</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;SS1&#39;</span><span class="p">,]:</span>  <span class="c">#future SS2 &amp; SS3</span>
+                <span class="n">xyz</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">cx</span><span class="p">:</span><span class="n">cx</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span>
+                <span class="n">uij</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">cia</span><span class="o">+</span><span class="mi">2</span><span class="p">:</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">]</span>
+                <span class="k">for</span> <span class="n">SS</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;SS1&#39;</span><span class="p">,]:</span>  <span class="c">#future SS2 &amp; SS3 - I doubt it!</span>
                     <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">waveData</span><span class="p">)</span>
                     <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">AtomSizer</span><span class="p">(</span><span class="n">SS</span><span class="p">,</span><span class="n">atom</span><span class="p">))</span>
                     <span class="k">for</span> <span class="n">Stype</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Sfrac&#39;</span><span class="p">,</span><span class="s">&#39;Spos&#39;</span><span class="p">,</span><span class="s">&#39;Sadp&#39;</span><span class="p">,</span><span class="s">&#39;Smag&#39;</span><span class="p">]:</span>
-                        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;modulated&#39;</span> <span class="ow">and</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Smag&#39;</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="n">atom</span><span class="p">[</span><span class="n">cia</span><span class="p">]</span> <span class="o">!=</span> <span class="s">&#39;A&#39;</span> <span class="ow">and</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Sadp&#39;</span><span class="p">:</span>    <span class="c">#Uiso can&#39;t have modulations!</span>
+                            <span class="k">continue</span>
+                        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">!=</span> <span class="s">&#39;magnetic&#39;</span> <span class="ow">and</span> <span class="n">Stype</span> <span class="o">==</span> <span class="s">&#39;Smag&#39;</span><span class="p">:</span>
                             <span class="k">break</span>
-                        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">WaveSizer</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">Stype</span><span class="p">],</span><span class="n">Stype</span><span class="p">,</span><span class="n">typeNames</span><span class="p">[</span><span class="n">Stype</span><span class="p">],</span><span class="n">Labels</span><span class="p">[</span><span class="n">Stype</span><span class="p">]))</span>
-                        
+                        <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">WaveSizer</span><span class="p">(</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">],</span><span class="n">atom</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="n">SS</span><span class="p">][</span><span class="n">Stype</span><span class="p">],</span><span class="n">Stype</span><span class="p">,</span><span class="n">typeNames</span><span class="p">[</span><span class="n">Stype</span><span class="p">],</span><span class="n">Labels</span><span class="p">[</span><span class="n">Stype</span><span class="p">]))</span>                        
         <span class="n">SetPhaseWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">waveData</span><span class="p">,</span><span class="n">mainSizer</span><span class="p">)</span>
                        
+    <span class="k">def</span> <span class="nf">On4DMapCompute</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">mapData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span>
+        <span class="n">reflNames</span> <span class="o">=</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">][</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">reflNames</span><span class="p">):</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Fourier map error&#39;</span><span class="p">,</span><span class="s">&#39;No reflections defined for Fourier map&#39;</span><span class="p">)</span>
+            <span class="k">return</span>
+        <span class="n">phaseName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
+        <span class="n">ReflData</span> <span class="o">=</span> <span class="n">GetReflData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">phaseName</span><span class="p">,</span><span class="n">reflNames</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">ReflData</span> <span class="o">==</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span>
+        <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">Fourier4DMap</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">ReflData</span><span class="p">))</span>
+        <span class="n">mapSig</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">])</span>
+        <span class="k">print</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39; computed: rhomax = </span><span class="si">%.3f</span><span class="s"> rhomin = </span><span class="si">%.3f</span><span class="s"> sigma = </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]),</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]),</span><span class="n">mapSig</span><span class="p">)</span>
+            
 <span class="c">################################################################################</span>
 <span class="c">#Structure drawing GUI stuff                </span>
@@ -2084 +2393 @@
             <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
         <span class="k">if</span> <span class="ow">not</span> <span class="n">drawingData</span><span class="p">:</span>                 <span class="c">#fill with defaults if empty</span>
-            <span class="n">drawingData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">defaultDrawing</span><span class="p">)</span>
+            <span class="n">drawingData</span> <span class="o">=</span> <span class="n">defaultDrawing</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
         <span class="k">if</span> <span class="s">&#39;Zstep&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">drawingData</span><span class="p">:</span>
             <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Zstep&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.5</span>
@@ -2096 +2405 @@
             <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;showRigidBodies&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">True</span>
         <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">ci</span> <span class="o">=</span> <span class="p">[</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span>
-        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;nuclear&#39;</span><span class="p">:</span>
+        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;nuclear&#39;</span><span class="p">,</span><span class="s">&#39;modulated&#39;</span><span class="p">]:</span>
             <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">ci</span> <span class="o">=</span> <span class="p">[</span><span class="mi">2</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">17</span><span class="p">]</span>         <span class="c">#x, type, style &amp; index</span>
         <span class="k">elif</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;macromolecular&#39;</span><span class="p">:</span>
@@ -2544 +2853 @@
                         <span class="n">XYZ</span> <span class="o">=</span> <span class="n">XYZ</span><span class="o">+</span><span class="n">cent</span><span class="o">+</span><span class="n">Cell</span>
                         <span class="k">if</span> <span class="n">Force</span><span class="p">:</span>
-                            <span class="n">XYZ</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">MoveToUnitCell</span><span class="p">(</span><span class="n">XYZ</span><span class="p">)</span>
+                            <span class="n">XYZ</span> <span class="o">%=</span> <span class="mf">1.</span>       <span class="c">#G2spc.MoveToUnitCell(XYZ)</span>
                         <span class="k">if</span> <span class="n">noDuplicate</span><span class="p">(</span><span class="n">XYZ</span><span class="p">,</span><span class="n">atomData</span><span class="p">):</span>
                             <span class="n">atom</span> <span class="o">=</span> <span class="n">copy</span><span class="o">.</span><span class="n">copy</span><span class="p">(</span><span class="n">atomData</span><span class="p">[</span><span class="n">ind</span><span class="p">])</span>
@@ -2554 +2863 @@
                             <span class="k">if</span> <span class="n">atom</span><span class="p">[</span><span class="n">cuia</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;A&#39;</span><span class="p">:</span>
                                 <span class="n">Uij</span> <span class="o">=</span> <span class="n">atom</span><span class="p">[</span><span class="n">cuij</span><span class="p">:</span><span class="n">cuij</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span>
-                                <span class="n">U</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">Uij2U</span><span class="p">(</span><span class="n">Uij</span><span class="p">)</span>
-                                <span class="n">U</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">M</span><span class="p">,</span><span class="n">U</span><span class="p">),</span><span class="n">M</span><span class="p">)</span>
-                                <span class="n">Uij</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">U2Uij</span><span class="p">(</span><span class="n">U</span><span class="p">)</span>
+                                <span class="n">Uij</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">U2Uij</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">inner</span><span class="p">(</span><span class="n">M</span><span class="p">,</span><span class="n">G2spc</span><span class="o">.</span><span class="n">Uij2U</span><span class="p">(</span><span class="n">Uij</span><span class="p">)),</span><span class="n">M</span><span class="p">))</span>
                                 <span class="n">atom</span><span class="p">[</span><span class="n">cuij</span><span class="p">:</span><span class="n">cuij</span><span class="o">+</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="n">Uij</span>
                             <span class="n">atomData</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">atom</span><span class="p">)</span>
@@ -3272 +3579 @@
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;Order&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="nb">int</span><span class="p">(</span><span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">())</span>
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;SH Coeff&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">SetSHCoef</span><span class="p">()</span>
-            <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateTexture</span><span class="p">)</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateTexture</span><span class="p">)</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotTexture</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
                         
@@ -3279 +3586 @@
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;Model&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;SH Coeff&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">=</span> <span class="n">SetSHCoef</span><span class="p">()</span>
-            <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateTexture</span><span class="p">)</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateTexture</span><span class="p">)</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotTexture</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
             
@@ -3289 +3596 @@
             <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;SHShow&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
-            <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateTexture</span><span class="p">)</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateTexture</span><span class="p">)</span>
             
         <span class="k">def</span> <span class="nf">OnProjSel</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -3327 +3634 @@
             <span class="n">Obj</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetEventObject</span><span class="p">()</span>
             <span class="n">textureData</span><span class="p">[</span><span class="s">&#39;PlotType&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Obj</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
-            <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateTexture</span><span class="p">)</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">CallLater</span><span class="p">(</span><span class="mi">100</span><span class="p">,</span><span class="n">UpdateTexture</span><span class="p">)</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotTexture</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
             
@@ -3526 +3833 @@
                                   <span class="s">&#39;Babinet&#39;</span><span class="p">:{</span><span class="s">&#39;BabA&#39;</span><span class="p">:[</span><span class="mf">0.0</span><span class="p">,</span><span class="bp">False</span><span class="p">],</span><span class="s">&#39;BabU&#39;</span><span class="p">:[</span><span class="mf">0.0</span><span class="p">,</span><span class="bp">False</span><span class="p">]},</span>
                                   <span class="s">&#39;Extinction&#39;</span><span class="p">:[</span><span class="s">&#39;Lorentzian&#39;</span><span class="p">,</span><span class="s">&#39;None&#39;</span><span class="p">,</span>
-                                                <span class="p">{</span><span class="s">&#39;Tbar&#39;</span><span class="p">:</span><span class="mf">0.1</span><span class="p">,</span><span class="s">&#39;Cos2TM&#39;</span><span class="p">:</span><span class="mf">0.955</span><span class="p">,</span><span class="s">&#39;Eg&#39;</span><span class="p">:[</span><span class="mf">1.e-10</span><span class="p">,</span><span class="bp">False</span><span class="p">],</span><span class="s">&#39;Es&#39;</span><span class="p">:[</span><span class="mf">1.e-10</span><span class="p">,</span><span class="bp">False</span><span class="p">],</span><span class="s">&#39;Ep&#39;</span><span class="p">:[</span><span class="mf">1.e-10</span><span class="p">,</span><span class="bp">False</span><span class="p">]},]}</span>                        
+                                                <span class="p">{</span><span class="s">&#39;Tbar&#39;</span><span class="p">:</span><span class="mf">0.1</span><span class="p">,</span><span class="s">&#39;Cos2TM&#39;</span><span class="p">:</span><span class="mf">0.955</span><span class="p">,</span><span class="s">&#39;Eg&#39;</span><span class="p">:[</span><span class="mf">1.e-7</span><span class="p">,</span><span class="bp">False</span><span class="p">],</span><span class="s">&#39;Es&#39;</span><span class="p">:[</span><span class="mf">1.e-7</span><span class="p">,</span><span class="bp">False</span><span class="p">],</span><span class="s">&#39;Ep&#39;</span><span class="p">:[</span><span class="mf">1.e-7</span><span class="p">,</span><span class="bp">False</span><span class="p">]},]}</span>                        
             <span class="n">UpdateHKLFdata</span><span class="p">(</span><span class="n">histoName</span><span class="p">)</span>
             <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">UseList</span>
@@ -3584 +3891 @@
             <span class="k">finally</span><span class="p">:</span>
                 <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
-        
+                
     <span class="k">def</span> <span class="nf">OnDataDelete</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="n">UseList</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Histograms&#39;</span><span class="p">]</span>
@@ -3889 +4196 @@
         <span class="k">if</span> <span class="n">refresh</span><span class="p">:</span>
             <span class="n">RigidBodies</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
-        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">])</span>
         <span class="n">general</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
-        <span class="n">cx</span> <span class="o">=</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
+        <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">cia</span> <span class="o">=</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span>
+        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">],</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">)</span>
         <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">general</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
         <span class="n">RBData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span>   
@@ -4261 +4568 @@
         <span class="n">RBIds</span> <span class="o">=</span> <span class="nb">dict</span><span class="p">(</span><span class="nb">zip</span><span class="p">(</span><span class="n">RBNames</span><span class="p">,</span><span class="n">rbKeys</span><span class="p">))</span>
         <span class="n">general</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">cx</span><span class="p">,</span><span class="n">ct</span><span class="p">,</span><span class="n">cs</span><span class="p">,</span><span class="n">cia</span> <span class="o">=</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">]</span>
         <span class="n">Amat</span><span class="p">,</span><span class="n">Bmat</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2AB</span><span class="p">(</span><span class="n">general</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">])</span>
         <span class="n">Atoms</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">]</span>
-        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">Atoms</span><span class="p">)</span>
+        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">Atoms</span><span class="p">,</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">)</span>
         <span class="k">if</span> <span class="s">&#39;macro&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">general</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>
             <span class="k">print</span> <span class="s">&#39;**** ERROR - this phase is not a macromolecule ****&#39;</span>
@@ -4346 +4654 @@
         
     <span class="k">def</span> <span class="nf">OnGlobalResRBTherm</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">])</span>
         <span class="n">RBObjs</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;RBModels&#39;</span><span class="p">][</span><span class="s">&#39;Residue&#39;</span><span class="p">]</span>
         <span class="n">names</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;None&#39;</span><span class="p">,</span><span class="s">&#39;Uiso&#39;</span><span class="p">,</span><span class="s">&#39;T&#39;</span><span class="p">,</span><span class="s">&#39;TL&#39;</span><span class="p">,</span><span class="s">&#39;TLS&#39;</span><span class="p">]</span>
         <span class="n">cia</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;AtomPtrs&#39;</span><span class="p">][</span><span class="mi">3</span><span class="p">]</span>
+        <span class="n">AtLookUp</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">FillAtomLookUp</span><span class="p">(</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;Atoms&#39;</span><span class="p">],</span><span class="n">cia</span><span class="o">+</span><span class="mi">8</span><span class="p">)</span>
         <span class="n">dlg</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">SingleChoiceDialog</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="s">&#39;Select&#39;</span><span class="p">,</span><span class="s">&#39;Residue thermal motion model&#39;</span><span class="p">,</span><span class="n">names</span><span class="p">)</span>
         <span class="k">if</span> <span class="n">dlg</span><span class="o">.</span><span class="n">ShowModal</span><span class="p">()</span> <span class="o">==</span> <span class="n">wx</span><span class="o">.</span><span class="n">ID_OK</span><span class="p">:</span>
@@ -4475 +4783 @@
             
             <span class="n">atomsizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">7</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
-            <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Atom: &#39;</span><span class="o">+</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;name&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Atom: &#39;</span><span class="o">+</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;name&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">ix</span><span class="p">,</span><span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]):</span>
-                <span class="n">posRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">item</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">)</span>
+                <span class="n">posRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">item</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">)</span>
                 <span class="n">posRef</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">ix</span><span class="p">])</span>
                 <span class="n">posRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnPosRef</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">posRef</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Pos&#39;</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span>
                 <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">posRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">posVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ix</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">posVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ix</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                 <span class="n">posVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
                 <span class="n">posVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
@@ -4489 +4797 @@
             <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">ix</span><span class="p">,</span><span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]):</span>
-                <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                <span class="n">atomsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                 <span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span> <span class="o">=</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">][</span><span class="n">ix</span><span class="p">]</span>
-                <span class="n">posRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">posRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">posRange</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Pos&#39;</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span>
                 <span class="n">posRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
@@ -4547 +4855 @@
             <span class="n">rbsizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">)</span>
             <span class="n">rbsizer1</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">7</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
-            <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="o">+</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;name&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="o">+</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;name&#39;</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">ix</span><span class="p">,</span><span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]):</span>
-                <span class="n">posRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">item</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">)</span>
+                <span class="n">posRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">item</span><span class="o">+</span><span class="s">&#39;: &#39;</span><span class="p">)</span>
                 <span class="n">posRef</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">ix</span><span class="p">])</span>
                 <span class="n">posRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnPosRef</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">posRef</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Pos&#39;</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span>
                 <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">posRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                <span class="n">posVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ix</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">posVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">][</span><span class="n">ix</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                 <span class="n">posVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
                 <span class="n">posVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">posVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Pos&#39;</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span>
                 <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">posVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">molcent</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Use mol. center? &#39;</span><span class="p">)</span>
+            <span class="n">molcent</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; Use mol. center? &#39;</span><span class="p">)</span>
             <span class="n">molcent</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;MolCent&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span>
             <span class="n">molcent</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnMolCent</span><span class="p">)</span>
@@ -4565 +4873 @@
             <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">molcent</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">ix</span><span class="p">,</span><span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">]):</span>
-                <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                <span class="n">rbsizer1</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                 <span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span> <span class="o">=</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Pos&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">][</span><span class="n">ix</span><span class="p">]</span>
-                <span class="n">posRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">posRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">posRange</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Pos&#39;</span><span class="p">,</span><span class="n">ix</span><span class="p">]</span>
                 <span class="n">posRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
@@ -4575 +4883 @@
             <span class="n">rbsizer2</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">6</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
             <span class="n">Ori</span> <span class="o">=</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Ori&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
-            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oa: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">angVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.5f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Ori</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oa: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">angVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.5f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Ori</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">angVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnOriVal</span><span class="p">)</span>
             <span class="n">angVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnOriVal</span><span class="p">)</span>
             <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">angVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oi,Oj,Ok: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">vecVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Ori</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Ori</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">Ori</span><span class="p">[</span><span class="mi">3</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oi,Oj,Ok: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">vecVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Ori</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">Ori</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">Ori</span><span class="p">[</span><span class="mi">3</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">vecVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnOriVal</span><span class="p">)</span>
             <span class="n">vecVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnOriVal</span><span class="p">)</span>
@@ -4587 +4895 @@
             <span class="n">Indx</span><span class="p">[</span><span class="n">vecVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">angVal</span><span class="p">,</span><span class="n">vecVal</span><span class="p">]</span>
             <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">vecVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Vary? &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Vary? &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; &#39;</span><span class="p">,</span><span class="s">&#39;A&#39;</span><span class="p">,</span><span class="s">&#39;AV&#39;</span><span class="p">]</span>
-            <span class="n">orvar</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Ovar&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">choice</span><span class="p">,</span>
+            <span class="n">orvar</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ComboBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">value</span><span class="o">=</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Ovar&#39;</span><span class="p">],</span><span class="n">choices</span><span class="o">=</span><span class="n">choice</span><span class="p">,</span>
                 <span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_DROPDOWN</span><span class="p">)</span>
             <span class="n">orvar</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_COMBOBOX</span><span class="p">,</span> <span class="n">OnOrVar</span><span class="p">)</span>
             <span class="n">Indx</span><span class="p">[</span><span class="n">orvar</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="n">model</span>
             <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">orvar</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: Oa: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: Oa: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">Rge</span> <span class="o">=</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Ori&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span>
-            <span class="n">angRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Rge</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">Rge</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">1</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">angRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Rge</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">0</span><span class="p">],</span><span class="n">Rge</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="mi">1</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">Indx</span><span class="p">[</span><span class="n">angRange</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Ori&#39;</span><span class="p">,</span><span class="mi">0</span><span class="p">]</span>
             <span class="n">angRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
             <span class="n">angRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
             <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">angRange</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oi,Oj,Ok: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">rbsizer2</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Oi,Oj,Ok: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">io</span><span class="p">,</span><span class="n">item</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">([</span><span class="s">&#39;Oi&#39;</span><span class="p">,</span><span class="s">&#39;Oj&#39;</span><span class="p">,</span><span class="s">&#39;Ok&#39;</span><span class="p">]):</span>
                 <span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span> <span class="o">=</span> <span class="n">Rge</span><span class="p">[</span><span class="n">io</span><span class="o">+</span><span class="mi">1</span><span class="p">]</span>
-                <span class="n">vecRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                <span class="n">vecRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s"> &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                 <span class="n">Indx</span><span class="p">[</span><span class="n">vecRange</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Ori&#39;</span><span class="p">,</span><span class="n">io</span><span class="o">+</span><span class="mi">1</span><span class="p">]</span>
                 <span class="n">vecRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
@@ -4613 +4921 @@
             <span class="k">if</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;Residue&#39;</span><span class="p">:</span>
                 <span class="n">atNames</span> <span class="o">=</span> <span class="n">RBData</span><span class="p">[</span><span class="s">&#39;Residue&#39;</span><span class="p">][</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;RBId&#39;</span><span class="p">]][</span><span class="s">&#39;atNames&#39;</span><span class="p">]</span>
-                <span class="n">rbsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Torsions:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                <span class="n">rbsizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;Torsions:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                 <span class="n">rbsizer3</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">FlexGridSizer</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="mi">8</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">)</span>
                 <span class="k">for</span> <span class="n">it</span><span class="p">,</span><span class="n">tor</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Tor&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]):</span>
                     <span class="n">iBeg</span><span class="p">,</span><span class="n">iFin</span> <span class="o">=</span> <span class="n">RBData</span><span class="p">[</span><span class="s">&#39;Residue&#39;</span><span class="p">][</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;RBId&#39;</span><span class="p">]][</span><span class="s">&#39;rbSeq&#39;</span><span class="p">][</span><span class="n">it</span><span class="p">][:</span><span class="mi">2</span><span class="p">]</span>
                     <span class="n">name</span> <span class="o">=</span> <span class="n">atNames</span><span class="p">[</span><span class="n">iBeg</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;-&#39;</span><span class="o">+</span><span class="n">atNames</span><span class="p">[</span><span class="n">iFin</span><span class="p">]</span>
-                    <span class="n">torRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; </span><span class="si">%s</span><span class="s">: &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">name</span><span class="p">))</span>
+                    <span class="n">torRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; </span><span class="si">%s</span><span class="s">: &#39;</span><span class="o">%</span><span class="p">(</span><span class="n">name</span><span class="p">))</span>
                     <span class="n">torRef</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">model</span><span class="p">[</span><span class="s">&#39;Tor&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">][</span><span class="n">it</span><span class="p">])</span>
                     <span class="n">torRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnPosRef</span><span class="p">)</span>
                     <span class="n">Indx</span><span class="p">[</span><span class="n">torRef</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Tor&#39;</span><span class="p">,</span><span class="n">it</span><span class="p">]</span>
                     <span class="n">rbsizer3</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">torRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                    <span class="n">torVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">tor</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                    <span class="n">torVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">tor</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                     <span class="n">torVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
                     <span class="n">torVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPosVal</span><span class="p">)</span>
                     <span class="n">Indx</span><span class="p">[</span><span class="n">torVal</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Tor&#39;</span><span class="p">,</span><span class="n">it</span><span class="p">]</span>
                     <span class="n">rbsizer3</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">torVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-                    <span class="n">rbsizer3</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+                    <span class="n">rbsizer3</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
                     <span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span> <span class="o">=</span> <span class="n">model</span><span class="p">[</span><span class="s">&#39;Tor&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">][</span><span class="n">it</span><span class="p">]</span>
-                    <span class="n">torRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+                    <span class="n">torRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
                     <span class="n">Indx</span><span class="p">[</span><span class="n">torRange</span><span class="o">.</span><span class="n">GetId</span><span class="p">()]</span> <span class="o">=</span> <span class="p">[</span><span class="n">model</span><span class="p">,</span><span class="s">&#39;Tor&#39;</span><span class="p">,</span><span class="n">it</span><span class="p">]</span>
                     <span class="n">torRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPosRange</span><span class="p">)</span>
@@ -4679 +4987 @@
                 
             <span class="n">poSizer</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">BoxSizer</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">HORIZONTAL</span><span class="p">)</span>
-            <span class="n">poRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; March-Dollase ratio: &#39;</span><span class="p">)</span>
+            <span class="n">poRef</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">CheckBox</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="s">&#39; March-Dollase ratio: &#39;</span><span class="p">)</span>
             <span class="n">poRef</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">POData</span><span class="p">[</span><span class="s">&#39;Coef&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">])</span>
             <span class="n">poRef</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_CHECKBOX</span><span class="p">,</span><span class="n">OnPORef</span><span class="p">)</span>
             <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">poRef</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">poVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">POData</span><span class="p">[</span><span class="s">&#39;Coef&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">poVal</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">POData</span><span class="p">[</span><span class="s">&#39;Coef&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">poVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPOVal</span><span class="p">)</span>
             <span class="n">poVal</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPOVal</span><span class="p">)</span>
             <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">poVal</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
-            <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Range: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span> <span class="o">=</span> <span class="n">POData</span><span class="p">[</span><span class="s">&#39;Coef&#39;</span><span class="p">][</span><span class="mi">2</span><span class="p">]</span>
-            <span class="n">poRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">poRange</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%.3f</span><span class="s"> </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">rmin</span><span class="p">,</span><span class="n">rmax</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">poRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPORange</span><span class="p">)</span>
             <span class="n">poRange</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPORange</span><span class="p">)</span>
             <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">poRange</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>                       
-            <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Unique axis, H K L: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">poSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39; Unique axis, H K L: &#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span> <span class="o">=</span> <span class="n">POData</span><span class="p">[</span><span class="s">&#39;axis&#39;</span><span class="p">]</span>
-            <span class="n">poAxis</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%3d</span><span class="s"> </span><span class="si">%3d</span><span class="s"> </span><span class="si">%3d</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
+            <span class="n">poAxis</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">TextCtrl</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;</span><span class="si">%3d</span><span class="s"> </span><span class="si">%3d</span><span class="s"> </span><span class="si">%3d</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">),</span><span class="n">style</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">TE_PROCESS_ENTER</span><span class="p">)</span>
             <span class="n">poAxis</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_TEXT_ENTER</span><span class="p">,</span><span class="n">OnPOAxis</span><span class="p">)</span>
             <span class="n">poAxis</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_KILL_FOCUS</span><span class="p">,</span><span class="n">OnPOAxis</span><span class="p">)</span>
@@ -4715 +5023 @@
                     <span class="n">resultsTable</span><span class="o">.</span><span class="n">SetValue</span><span class="p">(</span><span class="n">r</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="bp">True</span><span class="p">)</span>
                     <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
-                    <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateMCSA</span><span class="p">,</span><span class="n">MCSA</span><span class="o">.</span><span class="n">GetScrollPos</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">))</span>
+                    <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">UpdateMCSA</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="o">.</span><span class="n">GetScrollPos</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">VERTICAL</span><span class="p">))</span>
                     <span class="n">resultsGrid</span><span class="o">.</span><span class="n">ForceRefresh</span><span class="p">()</span>
                 <span class="k">elif</span> <span class="n">c</span> <span class="o">==</span> <span class="mi">1</span><span class="p">:</span>
@@ -4738 +5046 @@
                 <span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,]</span><span class="o">+</span><span class="n">maxVary</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,5&#39;</span><span class="p">,]</span>
             <span class="n">resultsTable</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">Table</span><span class="p">(</span><span class="n">resultVals</span><span class="p">,</span><span class="n">rowLabels</span><span class="o">=</span><span class="n">rowLabels</span><span class="p">,</span><span class="n">colLabels</span><span class="o">=</span><span class="n">colLabels</span><span class="p">,</span><span class="n">types</span><span class="o">=</span><span class="n">Types</span><span class="p">)</span>
-            <span class="n">resultsGrid</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GSGrid</span><span class="p">(</span><span class="n">MCSA</span><span class="p">)</span>
+            <span class="n">resultsGrid</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GSGrid</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">)</span>
             <span class="n">resultsGrid</span><span class="o">.</span><span class="n">SetTable</span><span class="p">(</span><span class="n">resultsTable</span><span class="p">,</span> <span class="bp">True</span><span class="p">)</span>
             <span class="n">resultsGrid</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wg</span><span class="o">.</span><span class="n">EVT_GRID_CELL_LEFT_CLICK</span><span class="p">,</span> <span class="n">OnCellChange</span><span class="p">)</span>
@@ -4752 +5060 @@
         
         <span class="c"># UpdateMCSA executable code starts here</span>
-        <span class="n">MCSA</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
+        <span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="o">.</span><span class="n">DestroyChildren</span><span class="p">()</span>
         <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>                 <span class="c">#if new drawing - no drawing data!</span>
             <span class="n">SetupDrawingData</span><span class="p">()</span>
@@ -4767 +5075 @@
         <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;MCSA&#39;</span><span class="p">][</span><span class="s">&#39;Models&#39;</span><span class="p">]:</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
-            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;No MC/SA models:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;No MC/SA models:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
-            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;MC/SA models:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;MC/SA models:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
             <span class="k">for</span> <span class="n">model</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;MCSA&#39;</span><span class="p">][</span><span class="s">&#39;Models&#39;</span><span class="p">]:</span>
@@ -4785 +5093 @@
                     <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">Rsizer</span><span class="p">)</span>
                     <span class="n">Xsize</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Rsizer</span><span class="o">.</span><span class="n">GetMinSize</span><span class="p">()[</span><span class="mi">0</span><span class="p">],</span><span class="n">Xsize</span><span class="p">)</span>
-                <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">MCSA</span><span class="p">)</span>
+                <span class="n">G2gd</span><span class="o">.</span><span class="n">HorizontalLine</span><span class="p">(</span><span class="n">mainSizer</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">)</span>
                 
         <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;MCSA&#39;</span><span class="p">][</span><span class="s">&#39;Results&#39;</span><span class="p">]:</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
-            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;No MC/SA results:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;No MC/SA results:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
-            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;MC/SA results:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
+            <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">StaticText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="o">-</span><span class="mi">1</span><span class="p">,</span><span class="s">&#39;MC/SA results:&#39;</span><span class="p">),</span><span class="mi">0</span><span class="p">,</span><span class="n">WACV</span><span class="p">)</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">((</span><span class="mi">5</span><span class="p">,</span><span class="mi">5</span><span class="p">),</span><span class="mi">0</span><span class="p">)</span>
             <span class="n">Results</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;MCSA&#39;</span><span class="p">][</span><span class="s">&#39;Results&#39;</span><span class="p">]</span>
             <span class="n">mainSizer</span><span class="o">.</span><span class="n">Add</span><span class="p">(</span><span class="n">ResultsSizer</span><span class="p">(</span><span class="n">Results</span><span class="p">))</span>
             
-        <span class="n">SetPhaseWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">MCSA</span><span class="p">,</span><span class="n">mainSizer</span><span class="p">)</span>
-        <span class="n">Size</span> <span class="o">=</span> <span class="n">MCSA</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
+        <span class="n">SetPhaseWindow</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="p">,</span><span class="n">mainSizer</span><span class="p">)</span>
+        <span class="n">Size</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
         <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">Xsize</span><span class="o">+</span><span class="mi">40</span>
         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
-        <span class="n">MCSA</span><span class="o">.</span><span class="n">Scroll</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="n">Scroll</span><span class="p">)</span>
+        <span class="n">G2frame</span><span class="o">.</span><span class="n">MCSA</span><span class="o">.</span><span class="n">Scroll</span><span class="p">(</span><span class="mi">0</span><span class="p">,</span><span class="n">Scroll</span><span class="p">)</span>
         
     <span class="k">def</span> <span class="nf">SetSolution</span><span class="p">(</span><span class="n">result</span><span class="p">,</span><span class="n">Models</span><span class="p">):</span>
@@ -4877 +5185 @@
             <span class="n">screenSize</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ClientDisplayRect</span><span class="p">()</span>
             <span class="n">Size</span> <span class="o">=</span> <span class="n">pgbar</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
-            <span class="n">Size</span> <span class="o">=</span> <span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.2</span><span class="p">),</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> <span class="c"># increase size a bit along x</span>
-            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetPosition</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Point</span><span class="p">(</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="mi">305</span><span class="p">,</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">5</span><span class="p">))</span>
-            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
+            <span class="k">if</span> <span class="mi">50</span> <span class="o">&lt;</span> <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mi">500</span><span class="p">:</span> <span class="c"># sanity check on size, since this fails w/Win &amp; wx3.0</span>
+                <span class="n">pgbar</span><span class="o">.</span><span class="n">SetSize</span><span class="p">((</span><span class="nb">int</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.2</span><span class="p">),</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span> <span class="c"># increase size a bit along x</span>
+                <span class="n">pgbar</span><span class="o">.</span><span class="n">SetPosition</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Point</span><span class="p">(</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="mi">305</span><span class="p">,</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">5</span><span class="p">))</span>
         <span class="k">else</span><span class="p">:</span>
             <span class="n">pgbar</span> <span class="o">=</span> <span class="bp">None</span>
@@ -5008 +5316 @@
             
         <span class="c"># FillPawleyReflectionsGrid executable starts here</span>
-        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;To delete a few Pawley reflections: select rows &amp; press Delete&#39;</span><span class="p">)</span>                        
+        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;To delete a Pawley reflection: select row &amp; press Delete&#39;</span><span class="p">)</span>                        
+        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
         <span class="k">if</span> <span class="s">&#39;Pawley ref&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span>
             <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Pawley ref&#39;</span><span class="p">]</span>                        
             <span class="n">rowLabels</span> <span class="o">=</span> <span class="p">[]</span>
             <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">PawleyPeaks</span><span class="p">)):</span> <span class="n">rowLabels</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">))</span>
-            <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;h&#39;</span><span class="p">,</span><span class="s">&#39;k&#39;</span><span class="p">,</span><span class="s">&#39;l&#39;</span><span class="p">,</span><span class="s">&#39;mul&#39;</span><span class="p">,</span><span class="s">&#39;d&#39;</span><span class="p">,</span><span class="s">&#39;refine&#39;</span><span class="p">,</span><span class="s">&#39;Fsq(hkl)&#39;</span><span class="p">,</span><span class="s">&#39;sig(Fsq)&#39;</span><span class="p">]</span>
-            <span class="n">Types</span> <span class="o">=</span> <span class="mi">4</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_LONG</span><span class="p">,]</span><span class="o">+</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_BOOL</span><span class="p">,]</span><span class="o">+</span> \
-                <span class="mi">2</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,2&#39;</span><span class="p">,]</span>
+            <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
+                <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;h&#39;</span><span class="p">,</span><span class="s">&#39;k&#39;</span><span class="p">,</span><span class="s">&#39;l&#39;</span><span class="p">,</span><span class="s">&#39;m&#39;</span><span class="p">,</span><span class="s">&#39;mul&#39;</span><span class="p">,</span><span class="s">&#39;d&#39;</span><span class="p">,</span><span class="s">&#39;refine&#39;</span><span class="p">,</span><span class="s">&#39;Fsq(hkl)&#39;</span><span class="p">,</span><span class="s">&#39;sig(Fsq)&#39;</span><span class="p">]</span>
+                <span class="n">Types</span> <span class="o">=</span> <span class="mi">5</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_LONG</span><span class="p">,]</span><span class="o">+</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_BOOL</span><span class="p">,]</span><span class="o">+</span> \
+                    <span class="mi">2</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,2&#39;</span><span class="p">,]</span>
+                <span class="n">pos</span> <span class="o">=</span> <span class="p">[</span><span class="mi">6</span><span class="p">,</span><span class="mi">7</span><span class="p">]</span>
+            <span class="k">else</span><span class="p">:</span>    
+                <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;h&#39;</span><span class="p">,</span><span class="s">&#39;k&#39;</span><span class="p">,</span><span class="s">&#39;l&#39;</span><span class="p">,</span><span class="s">&#39;mul&#39;</span><span class="p">,</span><span class="s">&#39;d&#39;</span><span class="p">,</span><span class="s">&#39;refine&#39;</span><span class="p">,</span><span class="s">&#39;Fsq(hkl)&#39;</span><span class="p">,</span><span class="s">&#39;sig(Fsq)&#39;</span><span class="p">]</span>
+                <span class="n">Types</span> <span class="o">=</span> <span class="mi">4</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_LONG</span><span class="p">,]</span><span class="o">+</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_BOOL</span><span class="p">,]</span><span class="o">+</span> \
+                    <span class="mi">2</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,2&#39;</span><span class="p">,]</span>
+                <span class="n">pos</span> <span class="o">=</span> <span class="p">[</span><span class="mi">5</span><span class="p">,</span><span class="mi">6</span><span class="p">]</span>
             <span class="n">PawleyTable</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">Table</span><span class="p">(</span><span class="n">PawleyPeaks</span><span class="p">,</span><span class="n">rowLabels</span><span class="o">=</span><span class="n">rowLabels</span><span class="p">,</span><span class="n">colLabels</span><span class="o">=</span><span class="n">colLabels</span><span class="p">,</span><span class="n">types</span><span class="o">=</span><span class="n">Types</span><span class="p">)</span>
             <span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">SetTable</span><span class="p">(</span><span class="n">PawleyTable</span><span class="p">,</span> <span class="bp">True</span><span class="p">)</span>
@@ -5021 +5337 @@
             <span class="k">for</span> <span class="n">r</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">GetNumberRows</span><span class="p">()):</span>
                 <span class="k">for</span> <span class="n">c</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">GetNumberCols</span><span class="p">()):</span>
-                    <span class="k">if</span> <span class="n">c</span> <span class="ow">in</span> <span class="p">[</span><span class="mi">5</span><span class="p">,</span><span class="mi">6</span><span class="p">]:</span>
+                    <span class="k">if</span> <span class="n">c</span> <span class="ow">in</span> <span class="n">pos</span><span class="p">:</span>
                         <span class="n">G2frame</span><span class="o">.</span><span class="n">PawleyRefl</span><span class="o">.</span><span class="n">SetReadOnly</span><span class="p">(</span><span class="n">r</span><span class="p">,</span><span class="n">c</span><span class="p">,</span><span class="n">isReadOnly</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>
                     <span class="k">else</span><span class="p">:</span>
@@ -5031 +5347 @@
     <span class="k">def</span> <span class="nf">OnPawleyLoad</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
-        <span class="n">dmin</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley dmin&#39;</span><span class="p">]</span>
         <span class="n">cell</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">:</span><span class="mi">7</span><span class="p">]</span>
         <span class="n">A</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">cell2A</span><span class="p">(</span><span class="n">cell</span><span class="p">)</span>
         <span class="n">SGData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SGData&#39;</span><span class="p">]</span>
+        <span class="n">dmin</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Pawley dmin&#39;</span><span class="p">]</span>
+        <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="p">[]</span>
         <span class="n">HKLd</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">GenHLaue</span><span class="p">(</span><span class="n">dmin</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">A</span><span class="p">))</span>
-        <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="p">[]</span>
-        <span class="n">wx</span><span class="o">.</span><span class="n">BeginBusyCursor</span><span class="p">()</span>
-        <span class="k">try</span><span class="p">:</span>
-            <span class="k">for</span> <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">d</span> <span class="ow">in</span> <span class="n">HKLd</span><span class="p">:</span>
-                <span class="n">ext</span><span class="p">,</span><span class="n">mul</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">GenHKLf</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">],</span><span class="n">SGData</span><span class="p">)[:</span><span class="mi">2</span><span class="p">]</span>
-                <span class="k">if</span> <span class="ow">not</span> <span class="n">ext</span><span class="p">:</span>
-                    <span class="n">mul</span> <span class="o">*=</span> <span class="mi">2</span>        <span class="c">#for powder multiplicity</span>
-                    <span class="n">PawleyPeaks</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">mul</span><span class="p">,</span><span class="n">d</span><span class="p">,</span><span class="bp">False</span><span class="p">,</span><span class="mf">100.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">])</span>
-        <span class="k">finally</span><span class="p">:</span>
-            <span class="n">wx</span><span class="o">.</span><span class="n">EndBusyCursor</span><span class="p">()</span>
+        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
+            <span class="n">Vec</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">maxH</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperVec&#39;</span><span class="p">]</span>
+            <span class="n">SSGData</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">SSpcGroup</span><span class="p">(</span><span class="n">SGData</span><span class="p">,</span><span class="n">generalData</span><span class="p">[</span><span class="s">&#39;SuperSg&#39;</span><span class="p">])[</span><span class="mi">1</span><span class="p">]</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">BeginBusyCursor</span><span class="p">()</span>
+            <span class="k">try</span><span class="p">:</span>
+                <span class="n">HKLd</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">GenSSHLaue</span><span class="p">(</span><span class="n">dmin</span><span class="p">,</span><span class="n">SGData</span><span class="p">,</span><span class="n">SSGData</span><span class="p">,</span><span class="n">Vec</span><span class="p">,</span><span class="n">maxH</span><span class="p">,</span><span class="n">A</span><span class="p">)</span>
+                <span class="k">for</span> <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m</span><span class="p">,</span><span class="n">d</span> <span class="ow">in</span> <span class="n">HKLd</span><span class="p">:</span>
+                    <span class="n">ext</span><span class="p">,</span><span class="n">mul</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">GenHKLf</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">],</span><span class="n">SGData</span><span class="p">)[:</span><span class="mi">2</span><span class="p">]</span>
+                    <span class="k">if</span> <span class="n">m</span> <span class="ow">or</span> <span class="ow">not</span> <span class="n">ext</span><span class="p">:</span>
+                        <span class="n">mul</span> <span class="o">*=</span> <span class="mi">2</span>        <span class="c">#for powder multiplicity</span>
+                        <span class="n">PawleyPeaks</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">m</span><span class="p">,</span><span class="n">mul</span><span class="p">,</span><span class="n">d</span><span class="p">,</span><span class="bp">False</span><span class="p">,</span><span class="mf">100.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">])</span>
+                <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">sortArray</span><span class="p">(</span><span class="n">PawleyPeaks</span><span class="p">,</span><span class="mi">5</span><span class="p">,</span><span class="n">reverse</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
+            <span class="k">finally</span><span class="p">:</span>
+                <span class="n">wx</span><span class="o">.</span><span class="n">EndBusyCursor</span><span class="p">()</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">BeginBusyCursor</span><span class="p">()</span>
+            <span class="k">try</span><span class="p">:</span>
+                <span class="k">for</span> <span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">d</span> <span class="ow">in</span> <span class="n">HKLd</span><span class="p">:</span>
+                    <span class="n">ext</span><span class="p">,</span><span class="n">mul</span> <span class="o">=</span> <span class="n">G2spc</span><span class="o">.</span><span class="n">GenHKLf</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">],</span><span class="n">SGData</span><span class="p">)[:</span><span class="mi">2</span><span class="p">]</span>
+                    <span class="k">if</span> <span class="ow">not</span> <span class="n">ext</span><span class="p">:</span>
+                        <span class="n">mul</span> <span class="o">*=</span> <span class="mi">2</span>        <span class="c">#for powder multiplicity</span>
+                        <span class="n">PawleyPeaks</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">h</span><span class="p">,</span><span class="n">k</span><span class="p">,</span><span class="n">l</span><span class="p">,</span><span class="n">mul</span><span class="p">,</span><span class="n">d</span><span class="p">,</span><span class="bp">False</span><span class="p">,</span><span class="mf">100.0</span><span class="p">,</span><span class="mf">1.0</span><span class="p">])</span>
+                <span class="n">PawleyPeaks</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">sortArray</span><span class="p">(</span><span class="n">PawleyPeaks</span><span class="p">,</span><span class="mi">4</span><span class="p">,</span><span class="n">reverse</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
+            <span class="k">finally</span><span class="p">:</span>
+                <span class="n">wx</span><span class="o">.</span><span class="n">EndBusyCursor</span><span class="p">()</span>
         <span class="n">data</span><span class="p">[</span><span class="s">&#39;Pawley ref&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">PawleyPeaks</span>
         <span class="n">FillPawleyReflectionsGrid</span><span class="p">()</span>
@@ -5058 +5390 @@
             <span class="k">return</span>
         <span class="n">Vst</span> <span class="o">=</span> <span class="mf">1.0</span><span class="o">/</span><span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;Cell&#39;</span><span class="p">][</span><span class="mi">7</span><span class="p">]</span>     <span class="c">#Get volume</span>
+        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">im</span> <span class="o">=</span> <span class="mi">0</span>
+        <span class="k">if</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
+            <span class="n">im</span> <span class="o">=</span> <span class="mi">1</span>
         <span class="n">HistoNames</span> <span class="o">=</span> <span class="nb">filter</span><span class="p">(</span><span class="k">lambda</span> <span class="n">a</span><span class="p">:</span><span class="n">Histograms</span><span class="p">[</span><span class="n">a</span><span class="p">][</span><span class="s">&#39;Use&#39;</span><span class="p">]</span><span class="o">==</span><span class="bp">True</span><span class="p">,</span><span class="n">Histograms</span><span class="o">.</span><span class="n">keys</span><span class="p">())</span>
         <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span><span class="n">HistoNames</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
@@ -5071 +5407 @@
         <span class="k">try</span><span class="p">:</span>
             <span class="k">for</span> <span class="n">ref</span> <span class="ow">in</span> <span class="n">Refs</span><span class="p">:</span>
-                <span class="n">pos</span> <span class="o">=</span> <span class="mf">2.0</span><span class="o">*</span><span class="n">asind</span><span class="p">(</span><span class="n">wave</span><span class="o">/</span><span class="p">(</span><span class="mf">2.0</span><span class="o">*</span><span class="n">ref</span><span class="p">[</span><span class="mi">4</span><span class="p">]))</span>
+                <span class="n">pos</span> <span class="o">=</span> <span class="mf">2.0</span><span class="o">*</span><span class="n">asind</span><span class="p">(</span><span class="n">wave</span><span class="o">/</span><span class="p">(</span><span class="mf">2.0</span><span class="o">*</span><span class="n">ref</span><span class="p">[</span><span class="mi">4</span><span class="o">+</span><span class="n">im</span><span class="p">]))</span>
                 <span class="k">if</span> <span class="s">&#39;Bragg&#39;</span> <span class="ow">in</span> <span class="n">Sample</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>
                     <span class="n">pos</span> <span class="o">-=</span> <span class="n">const</span><span class="o">*</span><span class="p">(</span><span class="mf">4.</span><span class="o">*</span><span class="n">Sample</span><span class="p">[</span><span class="s">&#39;Shift&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="n">cosd</span><span class="p">(</span><span class="n">pos</span><span class="o">/</span><span class="mf">2.0</span><span class="p">)</span><span class="o">+</span> \
@@ -5084 +5420 @@
                     <span class="c"># we multiply the observed peak height by sqrt(8 ln 2)/(FWHM*sqrt(pi)) to determine the value of Icorr*F^2 </span>
                     <span class="c"># then divide by Icorr to get F^2.</span>
-                    <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">xdata</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="n">indx</span><span class="p">]</span><span class="o">-</span><span class="n">xdata</span><span class="p">[</span><span class="mi">4</span><span class="p">][</span><span class="n">indx</span><span class="p">])</span><span class="o">*</span><span class="n">gconst</span><span class="o">/</span><span class="p">(</span><span class="n">FWHM</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="p">))</span>  <span class="c">#Area of Gaussian is height * FWHM * sqrt(pi)</span>
+                    <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="p">(</span><span class="n">xdata</span><span class="p">[</span><span class="mi">1</span><span class="p">][</span><span class="n">indx</span><span class="p">]</span><span class="o">-</span><span class="n">xdata</span><span class="p">[</span><span class="mi">4</span><span class="p">][</span><span class="n">indx</span><span class="p">])</span><span class="o">*</span><span class="n">gconst</span><span class="o">/</span><span class="p">(</span><span class="n">FWHM</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span><span class="p">))</span>  <span class="c">#Area of Gaussian is height * FWHM * sqrt(pi)</span>
                     <span class="n">Lorenz</span> <span class="o">=</span> <span class="mf">1.</span><span class="o">/</span><span class="p">(</span><span class="mf">2.</span><span class="o">*</span><span class="n">sind</span><span class="p">(</span><span class="n">xdata</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="n">indx</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">)</span><span class="o">**</span><span class="mi">2</span><span class="o">*</span><span class="n">cosd</span><span class="p">(</span><span class="n">xdata</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="n">indx</span><span class="p">]</span><span class="o">/</span><span class="mf">2.</span><span class="p">))</span>           <span class="c">#Lorentz correction</span>
                     <span class="n">pola</span> <span class="o">=</span> <span class="mf">1.0</span>
@@ -5092 +5428 @@
                         <span class="n">pola</span> <span class="o">=</span> <span class="mf">1.0</span>
                     <span class="c"># Include histo scale and volume in calculation</span>
-                    <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="p">]</span> <span class="o">/=</span> <span class="p">(</span><span class="n">Sample</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">*</span> <span class="n">Vst</span> <span class="o">*</span> <span class="n">Lorenz</span> <span class="o">*</span> <span class="n">pola</span> <span class="o">*</span> <span class="n">ref</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span>
+                    <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">/=</span> <span class="p">(</span><span class="n">Sample</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">*</span> <span class="n">Vst</span> <span class="o">*</span> <span class="n">Lorenz</span> <span class="o">*</span> <span class="n">pola</span> <span class="o">*</span> <span class="n">ref</span><span class="p">[</span><span class="mi">3</span><span class="o">+</span><span class="n">im</span><span class="p">])</span>
                 <span class="k">except</span> <span class="ne">IndexError</span><span class="p">:</span>
                     <span class="k">pass</span>
@@ -5113 +5449 @@
         <span class="n">refData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span>  \
             <span class="n">PatternId</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">))[</span><span class="n">PhaseName</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="n">im</span> <span class="o">=</span> <span class="mi">0</span>
+        <span class="k">if</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">,]:</span>
+            <span class="n">im</span> <span class="o">=</span> <span class="mi">1</span>
         <span class="n">Inv</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;SGData&#39;</span><span class="p">][</span><span class="s">&#39;SGInv&#39;</span><span class="p">]</span>
         <span class="n">mult</span> <span class="o">=</span> <span class="mf">0.5</span>
@@ -5121 +5460 @@
             <span class="k">for</span> <span class="n">iref</span><span class="p">,</span><span class="n">ref</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Refs</span><span class="p">):</span>
                 <span class="k">try</span><span class="p">:</span>
-                    <span class="k">if</span> <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">0.</span><span class="p">:</span>
-                        <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
-                        <span class="n">refData</span><span class="p">[</span><span class="n">iref</span><span class="p">][</span><span class="mi">8</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
-                        <span class="n">refData</span><span class="p">[</span><span class="n">iref</span><span class="p">][</span><span class="mi">9</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
-                        <span class="n">ref</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
-                        <span class="n">ref</span><span class="p">[</span><span class="mi">7</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span>
+                    <span class="k">if</span> <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">0.</span><span class="p">:</span>
+                        <span class="n">ref</span><span class="p">[</span><span class="mi">6</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
+                        <span class="n">refData</span><span class="p">[</span><span class="n">iref</span><span class="p">][</span><span class="mi">8</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
+                        <span class="n">refData</span><span class="p">[</span><span class="n">iref</span><span class="p">][</span><span class="mi">9</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">*=</span> <span class="o">-</span><span class="n">mult</span>
+                        <span class="n">ref</span><span class="p">[</span><span class="mi">5</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
+                        <span class="n">ref</span><span class="p">[</span><span class="mi">7</span><span class="o">+</span><span class="n">im</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span>
                 <span class="k">except</span> <span class="ne">IndexError</span><span class="p">:</span>
                     <span class="k">print</span> <span class="s">&#39;skipped&#39;</span><span class="p">,</span><span class="n">ref</span>
@@ -5169 +5508 @@
                 <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Map Peaks&#39;</span><span class="p">]</span>
                 <span class="n">c</span> <span class="o">=</span>  <span class="n">event</span><span class="o">.</span><span class="n">GetCol</span><span class="p">()</span>
-                <span class="k">if</span> <span class="n">colLabels</span><span class="p">[</span><span class="n">c</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;mag&#39;</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">colLabels</span><span class="p">[</span><span class="n">c</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;mag&#39;</span><span class="p">:</span>   <span class="c">#big to small order</span>
                     <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">sortArray</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">,</span><span class="n">c</span><span class="p">,</span><span class="n">reverse</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
-                <span class="k">elif</span> <span class="n">colLabels</span><span class="p">[</span><span class="n">c</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;dzero&#39;</span><span class="p">]:</span>
+                <span class="k">elif</span> <span class="n">colLabels</span><span class="p">[</span><span class="n">c</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;dzero&#39;</span><span class="p">,</span><span class="s">&#39;dcent&#39;</span><span class="p">]:</span>     <span class="c">#small to big</span>
                     <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">sortArray</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">,</span><span class="n">c</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -5179 +5518 @@
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>                    
             
-        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">450</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
+        <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">setSizePosLeft</span><span class="p">([</span><span class="mi">500</span><span class="p">,</span><span class="mi">300</span><span class="p">])</span>
         <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
         <span class="k">if</span> <span class="s">&#39;Map Peaks&#39;</span> <span class="ow">in</span> <span class="n">data</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;Select mag or dzero columns to sort&#39;</span><span class="p">)</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;Double click any column heading to sort&#39;</span><span class="p">)</span>
             <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Map Peaks&#39;</span><span class="p">]</span>                        
             <span class="n">rowLabels</span> <span class="o">=</span> <span class="p">[]</span>
             <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">)):</span> <span class="n">rowLabels</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="nb">str</span><span class="p">(</span><span class="n">i</span><span class="p">))</span>
-            <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;mag&#39;</span><span class="p">,</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;dzero&#39;</span><span class="p">]</span>
-            <span class="n">Types</span> <span class="o">=</span> <span class="mi">5</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,]</span>
+            <span class="n">colLabels</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;mag&#39;</span><span class="p">,</span><span class="s">&#39;x&#39;</span><span class="p">,</span><span class="s">&#39;y&#39;</span><span class="p">,</span><span class="s">&#39;z&#39;</span><span class="p">,</span><span class="s">&#39;dzero&#39;</span><span class="p">,</span><span class="s">&#39;dcent&#39;</span><span class="p">]</span>
+            <span class="n">Types</span> <span class="o">=</span> <span class="mi">6</span><span class="o">*</span><span class="p">[</span><span class="n">wg</span><span class="o">.</span><span class="n">GRID_VALUE_FLOAT</span><span class="o">+</span><span class="s">&#39;:10,4&#39;</span><span class="p">,]</span>
             <span class="n">G2frame</span><span class="o">.</span><span class="n">MapPeaksTable</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">Table</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">,</span><span class="n">rowLabels</span><span class="o">=</span><span class="n">rowLabels</span><span class="p">,</span><span class="n">colLabels</span><span class="o">=</span><span class="n">colLabels</span><span class="p">,</span><span class="n">types</span><span class="o">=</span><span class="n">Types</span><span class="p">)</span>
             <span class="n">MapPeaks</span><span class="o">.</span><span class="n">SetTable</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">MapPeaksTable</span><span class="p">,</span> <span class="bp">True</span><span class="p">)</span>
@@ -5203 +5542 @@
             <span class="n">Ind</span> <span class="o">=</span> <span class="n">MapPeaks</span><span class="o">.</span><span class="n">GetSelectedRows</span><span class="p">()</span>
             <span class="k">for</span> <span class="n">ind</span> <span class="ow">in</span> <span class="n">Ind</span><span class="p">:</span>
-                <span class="n">mag</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="n">d</span> <span class="o">=</span> <span class="n">mapPeaks</span><span class="p">[</span><span class="n">ind</span><span class="p">]</span>
+                <span class="n">mag</span><span class="p">,</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span> <span class="o">=</span> <span class="n">mapPeaks</span><span class="p">[</span><span class="n">ind</span><span class="p">][:</span><span class="mi">4</span><span class="p">]</span>
                 <span class="n">AtomAdd</span><span class="p">(</span><span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">,</span><span class="s">&#39;H&#39;</span><span class="p">,</span><span class="n">Name</span><span class="o">=</span><span class="s">&#39;M &#39;</span><span class="o">+</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="mi">100</span><span class="o">*</span><span class="n">mag</span><span class="o">/</span><span class="n">peakMax</span><span class="p">)))</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
@@ -5321 +5660 @@
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
         <span class="n">mapData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span>
-        <span class="n">reflName</span> <span class="o">=</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
-        <span class="k">if</span> <span class="ow">not</span> <span class="n">reflName</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Fourier map&#39;</span><span class="p">,</span><span class="s">&#39;No reflections defined for Fourier map&#39;</span><span class="p">)</span>
+        <span class="n">reflNames</span> <span class="o">=</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">][</span><span class="s">&#39;MapType&#39;</span><span class="p">]:</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Fourier map error&#39;</span><span class="p">,</span><span class="s">&#39;Fourier map type not defined&#39;</span><span class="p">)</span>
+            <span class="k">return</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">reflNames</span><span class="p">):</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Fourier map error&#39;</span><span class="p">,</span><span class="s">&#39;No reflections defined for Fourier map&#39;</span><span class="p">)</span>
             <span class="k">return</span>
         <span class="n">phaseName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
-        <span class="k">if</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
-            <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
-            <span class="n">reflSets</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">PatternId</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">))</span>
-            <span class="n">reflData</span> <span class="o">=</span> <span class="n">reflSets</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span>
-            <span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">reflData</span><span class="p">,</span><span class="nb">list</span><span class="p">):</span>       <span class="c">#patch for old reflection data</span>
-                <span class="n">RefData</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],</span><span class="s">&#39;FF&#39;</span><span class="p">:[]}</span>
-                <span class="k">for</span> <span class="n">ref</span> <span class="ow">in</span> <span class="n">reflData</span><span class="p">:</span>
-                    <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[:</span><span class="mi">11</span><span class="p">]</span><span class="o">+</span><span class="p">[</span><span class="n">ref</span><span class="p">[</span><span class="mi">13</span><span class="p">],])</span>
-                    <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;FF&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[</span><span class="mi">14</span><span class="p">])</span>
-                <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
-                <span class="n">reflData</span> <span class="o">=</span> <span class="n">RefData</span>
-        <span class="k">elif</span> <span class="s">&#39;HKLF&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
-            <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
-            <span class="n">reflData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">PatternId</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span>
+        <span class="n">ReflData</span> <span class="o">=</span> <span class="n">GetReflData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">phaseName</span><span class="p">,</span><span class="n">reflNames</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">ReflData</span> <span class="o">==</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span>
         <span class="k">if</span> <span class="s">&#39;Omit&#39;</span> <span class="ow">in</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;MapType&#39;</span><span class="p">]:</span>
             <span class="n">pgbar</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ProgressDialog</span><span class="p">(</span><span class="s">&#39;Omit map&#39;</span><span class="p">,</span><span class="s">&#39;Blocks done&#39;</span><span class="p">,</span><span class="mi">65</span><span class="p">,</span> 
             <span class="n">style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">PD_ELAPSED_TIME</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">PD_AUTO_HIDE</span><span class="p">)</span>
-            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">OmitMap</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">reflData</span><span class="p">,</span><span class="n">pgbar</span><span class="p">))</span>
+            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">OmitMap</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">ReflData</span><span class="p">,</span><span class="n">pgbar</span><span class="p">))</span>
             <span class="n">pgbar</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
         <span class="k">else</span><span class="p">:</span>
-            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">FourierMap</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">reflData</span><span class="p">))</span>
+            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">FourierMap</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">ReflData</span><span class="p">))</span>
         <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
         <span class="n">mapSig</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">])</span>
@@ -5359 +5689 @@
     <span class="k">def</span> <span class="nf">OnFourClear</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
-        <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapDefault</span>
+        <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">mapDefault</span><span class="o">.</span><span class="n">copy</span><span class="p">()</span>
         <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
         
+<span class="c"># map printing for testing purposes</span>
     <span class="k">def</span> <span class="nf">printRho</span><span class="p">(</span><span class="n">SGLaue</span><span class="p">,</span><span class="n">rho</span><span class="p">,</span><span class="n">rhoMax</span><span class="p">):</span>                          
-<span class="c"># map printing for testing purposes</span>
         <span class="n">dim</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">rho</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
         <span class="k">if</span> <span class="n">dim</span> <span class="o">==</span> <span class="mi">2</span><span class="p">:</span>
@@ -5391 +5721 @@
     <span class="k">def</span> <span class="nf">OnSearchMaps</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
                                     
-        <span class="n">peaks</span> <span class="o">=</span> <span class="p">[]</span>
-        <span class="n">mags</span> <span class="o">=</span> <span class="p">[]</span>
         <span class="k">print</span> <span class="s">&#39; Begin fourier map search - can take some time&#39;</span>
         <span class="n">time0</span> <span class="o">=</span> <span class="n">time</span><span class="o">.</span><span class="n">time</span><span class="p">()</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">drawingData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]</span>
         <span class="n">mapData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span>
         <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]):</span>
             <span class="n">wx</span><span class="o">.</span><span class="n">BeginBusyCursor</span><span class="p">()</span>
             <span class="k">try</span><span class="p">:</span>
-                <span class="n">peaks</span><span class="p">,</span><span class="n">mags</span><span class="p">,</span><span class="n">dzeros</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">SearchMap</span><span class="p">(</span><span class="n">data</span><span class="p">)</span>
+                <span class="n">peaks</span><span class="p">,</span><span class="n">mags</span><span class="p">,</span><span class="n">dzeros</span><span class="p">,</span><span class="n">dcents</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">SearchMap</span><span class="p">(</span><span class="n">generalData</span><span class="p">,</span><span class="n">drawingData</span><span class="p">)</span>
+                <span class="k">if</span> <span class="s">&#39;N&#39;</span> <span class="ow">in</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]:</span>      <span class="c">#look for negatives in neutron maps</span>
+                    <span class="n">npeaks</span><span class="p">,</span><span class="n">nmags</span><span class="p">,</span><span class="n">ndzeros</span><span class="p">,</span><span class="n">ndcents</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">SearchMap</span><span class="p">(</span><span class="n">generalData</span><span class="p">,</span><span class="n">drawingData</span><span class="p">,</span><span class="n">Neg</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
+                    <span class="n">peaks</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">peaks</span><span class="p">,</span><span class="n">npeaks</span><span class="p">))</span>
+                    <span class="n">mags</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">mags</span><span class="p">,</span><span class="n">nmags</span><span class="p">))</span>
+                    <span class="n">dzeros</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">dzeros</span><span class="p">,</span><span class="n">ndzeros</span><span class="p">))</span>
+                    <span class="n">dcents</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">dcents</span><span class="p">,</span><span class="n">ndcents</span><span class="p">))</span>
             <span class="k">finally</span><span class="p">:</span>
                 <span class="n">wx</span><span class="o">.</span><span class="n">EndBusyCursor</span><span class="p">()</span>
             <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">peaks</span><span class="p">):</span>
-                <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">mags</span><span class="p">,</span><span class="n">peaks</span><span class="p">,</span><span class="n">dzeros</span><span class="p">),</span><span class="n">axis</span><span class="o">=</span><span class="mi">1</span><span class="p">)</span>
+                <span class="n">mapPeaks</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">mags</span><span class="p">,</span><span class="n">peaks</span><span class="p">,</span><span class="n">dzeros</span><span class="p">,</span><span class="n">dcents</span><span class="p">),</span><span class="n">axis</span><span class="o">=</span><span class="mi">1</span><span class="p">)</span>
                 <span class="n">data</span><span class="p">[</span><span class="s">&#39;Map Peaks&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">sortArray</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="n">reverse</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>            
             <span class="k">print</span> <span class="s">&#39; Map search finished, time = </span><span class="si">%.2f</span><span class="s">s&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">time</span><span class="o">.</span><span class="n">time</span><span class="p">()</span><span class="o">-</span><span class="n">time0</span><span class="p">)</span>
@@ -5414 +5749 @@
         <span class="k">else</span><span class="p">:</span>
             <span class="k">print</span> <span class="s">&#39;No map available&#39;</span>
+            
+    <span class="k">def</span> <span class="nf">On4DChargeFlip</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+        <span class="n">generalData</span> <span class="o">=</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">]</span>
+        <span class="n">mapData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span>
+        <span class="n">map4DData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span>
+        <span class="n">flipData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span>
+        <span class="n">reflNames</span> <span class="o">=</span> <span class="n">flipData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">reflNames</span><span class="p">):</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Charge flip error&#39;</span><span class="p">,</span><span class="s">&#39;No reflections defined for charge flipping&#39;</span><span class="p">)</span>
+            <span class="k">return</span>
+        <span class="n">phaseName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
+        <span class="n">ReflData</span> <span class="o">=</span> <span class="n">GetReflData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">phaseName</span><span class="p">,</span><span class="n">reflNames</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">ReflData</span> <span class="o">==</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span>
+        <span class="n">pgbar</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ProgressDialog</span><span class="p">(</span><span class="s">&#39;Charge flipping&#39;</span><span class="p">,</span><span class="s">&#39;Residual Rcf =&#39;</span><span class="p">,</span><span class="mf">101.0</span><span class="p">,</span> 
+            <span class="n">style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">PD_ELAPSED_TIME</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">PD_AUTO_HIDE</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">PD_CAN_ABORT</span><span class="p">)</span>
+        <span class="n">screenSize</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ClientDisplayRect</span><span class="p">()</span>
+        <span class="n">Size</span> <span class="o">=</span> <span class="n">pgbar</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
+        <span class="k">if</span> <span class="mi">50</span> <span class="o">&lt;</span> <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mi">500</span><span class="p">:</span> <span class="c"># sanity check on size, since this fails w/Win &amp; wx3.0</span>
+            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetSize</span><span class="p">((</span><span class="nb">int</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.2</span><span class="p">),</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span> <span class="c"># increase size a bit along x</span>
+            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetPosition</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Point</span><span class="p">(</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="mi">305</span><span class="p">,</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">5</span><span class="p">))</span>
+        <span class="k">try</span><span class="p">:</span>
+            <span class="n">newMap</span><span class="p">,</span><span class="n">new4Dmap</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">SSChargeFlip</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">ReflData</span><span class="p">,</span><span class="n">pgbar</span><span class="p">)</span>
+        <span class="k">finally</span><span class="p">:</span>
+            <span class="n">pgbar</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
+        <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">newMap</span><span class="p">)</span>
+        <span class="n">map4DData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">new4Dmap</span><span class="p">)</span>
+        <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">True</span>        
+        <span class="n">mapSig</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">std</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">])</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">]:</span>                 <span class="c">#if new drawing - no drawing data!</span>
+            <span class="n">SetupDrawingData</span><span class="p">()</span>
+        <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">][</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.</span>
+        <span class="n">data</span><span class="p">[</span><span class="s">&#39;Drawing&#39;</span><span class="p">][</span><span class="s">&#39;mapSize&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">10.</span>
+        <span class="k">print</span> <span class="s">&#39; 4D Charge flip map computed: rhomax = </span><span class="si">%.3f</span><span class="s"> rhomin = </span><span class="si">%.3f</span><span class="s"> sigma = </span><span class="si">%.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">max</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]),</span><span class="n">np</span><span class="o">.</span><span class="n">min</span><span class="p">(</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]),</span><span class="n">mapSig</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Rcf&#39;</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">99.</span><span class="p">:</span>
+            <span class="n">OnSearchMaps</span><span class="p">(</span><span class="n">event</span><span class="p">)</span>             <span class="c">#does a plot structure at end</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="k">print</span> <span class="s">&#39;Bad charge flip map - no peak search done&#39;</span>
         
     <span class="k">def</span> <span class="nf">OnChargeFlip</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -5419 +5791 @@
         <span class="n">mapData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span>
         <span class="n">flipData</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]</span>
-        <span class="n">reflName</span> <span class="o">=</span> <span class="n">flipData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="n">reflNames</span> <span class="o">=</span> <span class="n">flipData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">reflNames</span><span class="p">):</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">ErrorDialog</span><span class="p">(</span><span class="s">&#39;Charge flip error&#39;</span><span class="p">,</span><span class="s">&#39;No reflections defined for charge flipping&#39;</span><span class="p">)</span>
+            <span class="k">return</span>
         <span class="n">phaseName</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Name&#39;</span><span class="p">]</span>
-        <span class="k">if</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
-            <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
-            <span class="n">reflSets</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">PatternId</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">))</span>
-            <span class="n">reflDict</span> <span class="o">=</span> <span class="n">reflSets</span><span class="p">[</span><span class="n">phaseName</span><span class="p">]</span>
-            <span class="k">if</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">reflDict</span><span class="p">,</span><span class="nb">list</span><span class="p">):</span>       <span class="c">#patch for old reflection data</span>
-                <span class="n">RefData</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;RefList&#39;</span><span class="p">:[],</span><span class="s">&#39;FF&#39;</span><span class="p">:[]}</span>
-                <span class="k">for</span> <span class="n">ref</span> <span class="ow">in</span> <span class="n">reflDict</span><span class="p">:</span>
-                    <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[:</span><span class="mi">11</span><span class="p">]</span><span class="o">+</span><span class="p">[</span><span class="n">ref</span><span class="p">[</span><span class="mi">13</span><span class="p">],])</span>
-                    <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;FF&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">ref</span><span class="p">[</span><span class="mi">14</span><span class="p">])</span>
-                <span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">array</span><span class="p">(</span><span class="n">RefData</span><span class="p">[</span><span class="s">&#39;RefList&#39;</span><span class="p">])</span>
-                <span class="n">reflDict</span> <span class="o">=</span> <span class="n">RefData</span>
-        <span class="k">elif</span> <span class="s">&#39;HKLF&#39;</span> <span class="ow">in</span> <span class="n">reflName</span><span class="p">:</span>
-            <span class="n">PatternId</span> <span class="o">=</span> <span class="n">G2gd</span><span class="o">.</span><span class="n">GetPatternTreeItemId</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">root</span><span class="p">,</span> <span class="n">reflName</span><span class="p">)</span>
-            <span class="n">reflDict</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemPyData</span><span class="p">(</span><span class="n">PatternId</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span>
-        <span class="k">else</span><span class="p">:</span>
-            <span class="k">print</span> <span class="s">&#39;**** ERROR - No data defined for charge flipping&#39;</span>
-            <span class="k">return</span>
+        <span class="n">ReflData</span> <span class="o">=</span> <span class="n">GetReflData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">phaseName</span><span class="p">,</span><span class="n">reflNames</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">ReflData</span> <span class="o">==</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span>
         <span class="n">pgbar</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ProgressDialog</span><span class="p">(</span><span class="s">&#39;Charge flipping&#39;</span><span class="p">,</span><span class="s">&#39;Residual Rcf =&#39;</span><span class="p">,</span><span class="mf">101.0</span><span class="p">,</span> 
             <span class="n">style</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">PD_ELAPSED_TIME</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">PD_AUTO_HIDE</span><span class="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">PD_CAN_ABORT</span><span class="p">)</span>
         <span class="n">screenSize</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">ClientDisplayRect</span><span class="p">()</span>
         <span class="n">Size</span> <span class="o">=</span> <span class="n">pgbar</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
-        <span class="n">Size</span> <span class="o">=</span> <span class="p">(</span><span class="nb">int</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.2</span><span class="p">),</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span> <span class="c"># increase size a bit along x</span>
-        <span class="n">pgbar</span><span class="o">.</span><span class="n">SetPosition</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Point</span><span class="p">(</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="mi">305</span><span class="p">,</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">5</span><span class="p">))</span>
-        <span class="n">pgbar</span><span class="o">.</span><span class="n">SetSize</span><span class="p">(</span><span class="n">Size</span><span class="p">)</span>
+        <span class="k">if</span> <span class="mi">50</span> <span class="o">&lt;</span> <span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mi">500</span><span class="p">:</span> <span class="c"># sanity check on size, since this fails w/Win &amp; wx3.0</span>
+            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetSize</span><span class="p">((</span><span class="nb">int</span><span class="p">(</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="mf">1.2</span><span class="p">),</span><span class="n">Size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span> <span class="c"># increase size a bit along x</span>
+            <span class="n">pgbar</span><span class="o">.</span><span class="n">SetPosition</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Point</span><span class="p">(</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">Size</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="mi">305</span><span class="p">,</span><span class="n">screenSize</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="mi">5</span><span class="p">))</span>
         <span class="k">try</span><span class="p">:</span>
-            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">ChargeFlip</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">reflDict</span><span class="p">,</span><span class="n">pgbar</span><span class="p">))</span>
+            <span class="n">mapData</span><span class="o">.</span><span class="n">update</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">ChargeFlip</span><span class="p">(</span><span class="n">data</span><span class="p">,</span><span class="n">ReflData</span><span class="p">,</span><span class="n">pgbar</span><span class="p">))</span>
         <span class="k">finally</span><span class="p">:</span>
             <span class="n">pgbar</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
@@ -5469 +5829 @@
         <span class="n">event</span><span class="o">.</span><span class="n">Skip</span><span class="p">()</span>
 
-    <span class="k">def</span> <span class="nf">FillSelectPageMenu</span><span class="p">(</span><span class="n">menuBar</span><span class="p">):</span>
-        <span class="sd">&#39;&#39;&#39;Assign bindings to the menu buttons to switch between phase tabs;</span>
-<span class="sd">        define a dictionary with the page index for each tab</span>
+    <span class="k">def</span> <span class="nf">FillSelectPageMenu</span><span class="p">(</span><span class="n">TabSelectionIdDict</span><span class="p">,</span> <span class="n">menuBar</span><span class="p">):</span>
+        <span class="sd">&#39;&#39;&#39;Fill &quot;Select tab&quot; menu with menu items for each tab and assign</span>
+<span class="sd">        bindings to the menu ietm to switch between phase tabs</span>
 <span class="sd">        &#39;&#39;&#39;</span>
         <span class="k">def</span> <span class="nf">OnSelectPage</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
             <span class="s">&#39;Called when an item is selected from the Select page menu&#39;</span>
-            <span class="n">page</span> <span class="o">=</span> <span class="n">Pagedict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span>
-            <span class="k">if</span> <span class="n">page</span> <span class="ow">is</span> <span class="ow">not</span> <span class="bp">None</span><span class="p">:</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSelection</span><span class="p">(</span><span class="n">page</span><span class="p">)</span>
+            <span class="c"># lookup the menu item that called us and get its text</span>
+            <span class="n">tabname</span> <span class="o">=</span> <span class="n">TabSelectionIdDict</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">())</span>
+            <span class="k">if</span> <span class="ow">not</span> <span class="n">tabname</span><span class="p">:</span>
+                <span class="k">print</span> <span class="s">&#39;Warning: menu item not in dict! id=&#39;</span><span class="p">,</span><span class="n">event</span><span class="o">.</span><span class="n">GetId</span><span class="p">()</span>
+                <span class="k">return</span>                
+            <span class="c"># find the matching tab</span>
+            <span class="k">for</span> <span class="n">PageNum</span> <span class="ow">in</span> <span class="nb">range</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageCount</span><span class="p">()):</span>
+                <span class="k">if</span> <span class="n">tabname</span> <span class="o">==</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">PageNum</span><span class="p">):</span>
+                    <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">SetSelection</span><span class="p">(</span><span class="n">PageNum</span><span class="p">)</span>
+                    <span class="k">return</span>
+            <span class="k">else</span><span class="p">:</span>
+                <span class="k">print</span> <span class="s">&quot;Warning: tab &quot;</span><span class="o">+</span><span class="n">tabname</span><span class="o">+</span><span class="s">&quot; was not found&quot;</span>
         <span class="n">mid</span> <span class="o">=</span> <span class="n">menuBar</span><span class="o">.</span><span class="n">FindMenu</span><span class="p">(</span><span class="s">&#39;Select tab&#39;</span><span class="p">)</span>
-        <span class="n">Pagedict</span> <span class="o">=</span> <span class="p">{}</span>
+        <span class="n">menu</span> <span class="o">=</span> <span class="n">menuBar</span><span class="o">.</span><span class="n">GetMenu</span><span class="p">(</span><span class="n">mid</span><span class="p">)</span>
         <span class="k">for</span> <span class="n">ipage</span><span class="p">,</span><span class="n">page</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Pages</span><span class="p">):</span>
-            <span class="n">menu</span> <span class="o">=</span> <span class="n">menuBar</span><span class="o">.</span><span class="n">GetMenu</span><span class="p">(</span><span class="n">mid</span><span class="p">)</span>
-            <span class="k">if</span> <span class="n">menu</span><span class="o">.</span><span class="n">FindItem</span><span class="p">(</span><span class="n">page</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mi">0</span><span class="p">:</span>
+            <span class="k">if</span> <span class="n">menu</span><span class="o">.</span><span class="n">FindItem</span><span class="p">(</span><span class="n">page</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mi">0</span><span class="p">:</span> <span class="c"># is tab already in menu?</span>
                 <span class="n">Id</span> <span class="o">=</span> <span class="n">wx</span><span class="o">.</span><span class="n">NewId</span><span class="p">()</span>
+                <span class="n">TabSelectionIdDict</span><span class="p">[</span><span class="n">Id</span><span class="p">]</span> <span class="o">=</span> <span class="n">page</span>
                 <span class="n">menu</span><span class="o">.</span><span class="n">Append</span><span class="p">(</span><span class="nb">id</span><span class="o">=</span><span class="n">Id</span><span class="p">,</span><span class="n">kind</span><span class="o">=</span><span class="n">wx</span><span class="o">.</span><span class="n">ITEM_NORMAL</span><span class="p">,</span><span class="n">text</span><span class="o">=</span><span class="n">page</span><span class="p">)</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnSelectPage</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">Id</span><span class="p">)</span>
-                <span class="n">Pagedict</span><span class="p">[</span><span class="n">Id</span><span class="p">]</span> <span class="o">=</span> <span class="n">ipage</span>
-
         
     <span class="k">def</span> <span class="nf">OnPageChanged</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
@@ -5499 +5867 @@
         
     <span class="k">def</span> <span class="nf">ChangePage</span><span class="p">(</span><span class="n">page</span><span class="p">):</span>
-        <span class="c"># development: Log Tab Selection</span>
-        <span class="c">#G2gd.LogTabPress(G2frame,page)</span>
         <span class="n">text</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataDisplay</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">page</span><span class="p">)</span>
-<span class="c">#        print &#39;Select&#39;,page,text</span>
         <span class="k">if</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;General&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataGeneral</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataGeneral</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnFourierMaps</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_FOURCALC</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnSearchMaps</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_FOURSEARCH</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnChargeFlip</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_CHARGEFLIP</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnFourClear</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_FOURCLEAR</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRunSingleMCSA</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_SINGLEMCSA</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRunMultiMCSA</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_MULTIMCSA</span><span class="p">)</span>
             <span class="n">UpdateGeneral</span><span class="p">()</span>
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;Data&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataMenu</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataMenu</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnPwdrAdd</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_PWDRADD</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnHklfAdd</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_HKLFADD</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDataDelete</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DATADELETE</span><span class="p">)</span>
             <span class="n">G2ddG</span><span class="o">.</span><span class="n">UpdateDData</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">DData</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
             <span class="n">G2plt</span><span class="o">.</span><span class="n">PlotSizeStrainPO</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">Start</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>            
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;Atoms&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">AtomsMenu</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAtomAdd</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITADD</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAtomViewAdd</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSVIEWADD</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAtomInsert</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITINSERT</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAtomViewInsert</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMVIEWINSERT</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAtomMove</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMMOVE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">AtomDelete</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSEDITDELETE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">AtomRefine</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSREFINE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">AtomModify</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSMODIFY</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">AtomTransform</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSTRANSFORM</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnReloadDrawAtoms</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_RELOADDRAWATOMS</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDistAngle</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSDISAGL</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDistAnglePrt</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ATOMSPDISAGL</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnIsoDistortCalc</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ISODISP</span><span class="p">)</span>
-            <span class="k">for</span> <span class="nb">id</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">ReImportMenuId</span><span class="p">:</span>     <span class="c">#loop over submenu items</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnReImport</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="nb">id</span><span class="p">)</span>                
             <span class="n">FillAtomsGrid</span><span class="p">(</span><span class="n">Atoms</span><span class="p">)</span>
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;Wave Data&#39;</span> <span class="ow">and</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;General&#39;</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;modulated&#39;</span><span class="p">,</span><span class="s">&#39;magnetic&#39;</span><span class="p">]:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">WavesData</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">WavesData</span><span class="p">)</span>
             <span class="n">UpdateWavesData</span><span class="p">()</span>
             <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">firstCall</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;Draw Options&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataDrawOptions</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DataDrawOptions</span><span class="p">)</span>
             <span class="n">UpdateDrawOptions</span><span class="p">()</span>
             <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">firstCall</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;Draw Atoms&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DrawAtomsMenu</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">DrawAtomsMenu</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">DrawAtomStyle</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWATOMSTYLE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">DrawAtomLabel</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWATOMLABEL</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">DrawAtomColor</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWATOMCOLOR</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">ResetAtomColors</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWATOMRESETCOLOR</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">SetViewPoint</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWVIEWPOINT</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">AddSymEquiv</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWADDEQUIV</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">TransformSymEquiv</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWTRANSFORM</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">FillCoordSphere</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWFILLCOORD</span><span class="p">)</span>            
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">FillUnitCell</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWFILLCELL</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">DrawAtomsDelete</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWDELETE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDrawDistVP</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWDISTVP</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDrawDAT</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWDISAGLTOR</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDrawPlane</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWPLANE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRestraint</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWRESTRBOND</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRestraint</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWRESTRANGLE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRestraint</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWRESTRPLANE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRestraint</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWRESTRCHIRAL</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnDefineRB</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_DRAWDEFINERB</span><span class="p">)</span>
             <span class="n">UpdateDrawAtoms</span><span class="p">()</span>
             <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">G2plt</span><span class="o">.</span><span class="n">PlotStructure</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">data</span><span class="p">,</span><span class="n">firstCall</span><span class="o">=</span><span class="bp">True</span><span class="p">)</span>
         <span class="k">elif</span> <span class="n">text</span> <span class="o">==</span> <span class="s">&#39;RB Models&#39;</span><span class="p">:</span>
             <span class="n">G2gd</span><span class="o">.</span><span class="n">SetDataMenuBar</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">RigidBodiesMenu</span><span class="p">)</span>
-            <span class="n">FillSelectPageMenu</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">RigidBodiesMenu</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnAutoFindResRB</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_AUTOFINDRESRB</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRBAssign</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_ASSIGNATMS2RB</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRBCopyParms</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_COPYRBPARMS</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnGlobalResRBTherm</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_GLOBALTHERM</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnGlobalResRBRef</span><span class="p">,</span> <span class="nb">id</span><span class="o">=</span><span class="n">G2gd</span><span class="o">.</span><span class="n">wxID_GLOBALRESREFINE</span><span class="p">)</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dataFrame</span><span class="o">.</span><span class="n">Bind</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">EVT_MENU</span><span class="p">,</span> <span class="n">OnRBRemoveAll</span><span class="p">,</