Changeset 1709 for sphinxdocs/build/html/_modules/GSASIIplot.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/GSASIIplot.html (modified) (72 diffs)

sphinxdocs/build/html/_modules/GSASIIplot.html

@@ -56 +56 @@
 <span class="sd">&#39;&#39;&#39;</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: 2015-03-10 11:35:24 -0500 (Tue, 10 Mar 2015) $</span>
 <span class="c"># $Author: vondreele $</span>
-<span class="c"># $Revision: 1506 $</span>
+<span class="c"># $Revision: 1694 $</span>
 <span class="c"># $URL: https://subversion.xray.aps.anl.gov/pyGSAS/trunk/GSASIIplot.py $</span>
-<span class="c"># $Id: GSASIIplot.py 1506 2014-09-26 14:41:33Z vondreele $</span>
+<span class="c"># $Id: GSASIIplot.py 1694 2015-03-10 16:35:24Z vondreele $</span>
 <span class="c">########### SVN repository information ###################</span>
 <span class="kn">import</span> <span class="nn">math</span>
@@ -76 +76 @@
 <span class="kn">import</span> <span class="nn">mpl_toolkits.mplot3d.axes3d</span> <span class="kn">as</span> <span class="nn">mp3d</span>
 <span class="kn">import</span> <span class="nn">GSASIIpath</span>
-<span class="n">GSASIIpath</span><span class="o">.</span><span class="n">SetVersionNumber</span><span class="p">(</span><span class="s">&quot;$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: 1694 $&quot;</span><span class="p">)</span>
 <span class="kn">import</span> <span class="nn">GSASIIgrid</span> <span class="kn">as</span> <span class="nn">G2gd</span>
 <span class="kn">import</span> <span class="nn">GSASIIimage</span> <span class="kn">as</span> <span class="nn">G2img</span>
@@ -87 +87 @@
 <span class="kn">import</span> <span class="nn">GSASIIspc</span> <span class="kn">as</span> <span class="nn">G2spc</span>
 <span class="kn">import</span> <span class="nn">GSASIImath</span> <span class="kn">as</span> <span class="nn">G2mth</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">pytexture</span> <span class="kn">as</span> <span class="nn">ptx</span>
 <span class="kn">from</span>  <span class="nn">OpenGL.GL</span> <span class="kn">import</span> <span class="o">*</span>
@@ -112 +113 @@
 <span class="n">npatand</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">:</span> <span class="mf">180.</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">arctan</span><span class="p">(</span><span class="n">x</span><span class="p">)</span><span class="o">/</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span>
 <span class="n">npatan2d</span> <span class="o">=</span> <span class="k">lambda</span> <span class="n">x</span><span class="p">,</span><span class="n">y</span><span class="p">:</span> <span class="mf">180.</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">arctan2</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="o">/</span><span class="n">np</span><span class="o">.</span><span class="n">pi</span>
+<span class="n">GkDelta</span> <span class="o">=</span> <span class="nb">unichr</span><span class="p">(</span><span class="mh">0x0394</span><span class="p">)</span>
     
 <div class="viewcode-block" id="G2PlotMpl"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.G2PlotMpl">[docs]</a><span class="k">class</span> <span class="nc">G2PlotMpl</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">Panel</span><span class="p">):</span>    
@@ -260 +262 @@
         </div></div>
 <div class="viewcode-block" id="GSASIItoolbar"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.GSASIItoolbar">[docs]</a><span class="k">class</span> <span class="nc">GSASIItoolbar</span><span class="p">(</span><span class="n">Toolbar</span><span class="p">):</span>
-    <span class="s">&#39;needs a doc string&#39;</span>
+    <span class="s">&#39;Override the matplotlib toolbar so we can add more icons&#39;</span>
     <span class="n">ON_MPL_HELP</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">ON_MPL_KEY</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">arrows</span> <span class="o">=</span> <span class="p">{}</span>
+    <span class="k">for</span> <span class="n">direc</span> <span class="ow">in</span> <span class="p">(</span><span class="s">&#39;left&#39;</span><span class="p">,</span><span class="s">&#39;right&#39;</span><span class="p">,</span><span class="s">&#39;up&#39;</span><span class="p">,</span><span class="s">&#39;down&#39;</span><span class="p">,</span><span class="s">&#39;Expand X&#39;</span><span class="p">,</span>
+                  <span class="s">&#39;Shrink X&#39;</span><span class="p">,</span><span class="s">&#39;Expand Y&#39;</span><span class="p">,</span><span class="s">&#39;Shrink Y&#39;</span><span class="p">):</span>
+        <span class="n">arrows</span><span class="p">[</span><span class="n">direc</span><span class="p">]</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="k">def</span> <span class="nf">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">plotCanvas</span><span class="p">):</span>
+        <span class="sd">&#39;&#39;&#39;Adds additional icons to toolbar&#39;&#39;&#39;</span>
         <span class="n">Toolbar</span><span class="o">.</span><span class="n">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">plotCanvas</span><span class="p">)</span>
-        <span class="n">POSITION_OF_CONFIGURE_SUBPLOTS_BTN</span> <span class="o">=</span> <span class="mi">6</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">plotCanvas</span> <span class="o">=</span> <span class="n">plotCanvas</span>
+        <span class="n">POSITION_OF_CONFIGURE_SUBPLOTS_BTN</span> <span class="o">=</span> <span class="mi">6</span> <span class="c"># remove one button, nos. start at 1!</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">DeleteToolByPos</span><span class="p">(</span><span class="n">POSITION_OF_CONFIGURE_SUBPLOTS_BTN</span><span class="p">)</span>
-        <span class="n">parent</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetParent</span><span class="p">()</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">parent</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetParent</span><span class="p">()</span>
         <span class="n">key</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="n">__file__</span><span class="p">)[</span><span class="mi">0</span><span class="p">],</span><span class="s">&#39;key.ico&#39;</span><span class="p">)</span>
         <span class="bp">self</span><span class="o">.</span><span class="n">AddSimpleTool</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">ON_MPL_KEY</span><span class="p">,</span><span class="n">_load_bitmap</span><span class="p">(</span><span class="n">key</span><span class="p">),</span><span class="s">&#39;Key press&#39;</span><span class="p">,</span><span class="s">&#39;Select key press&#39;</span><span class="p">)</span>
@@ -274 +282 @@
         <span class="bp">self</span><span class="o">.</span><span class="n">AddSimpleTool</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">ON_MPL_HELP</span><span class="p">,</span><span class="n">_load_bitmap</span><span class="p">(</span><span class="n">help</span><span class="p">),</span><span class="s">&#39;Help on&#39;</span><span class="p">,</span><span class="s">&#39;Show help on&#39;</span><span class="p">)</span>
         <span class="n">wx</span><span class="o">.</span><span class="n">EVT_TOOL</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">ON_MPL_HELP</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">OnHelp</span><span class="p">)</span>
+        <span class="c"># add arrow keys to control zooming</span>
+        <span class="k">for</span> <span class="n">direc</span> <span class="ow">in</span> <span class="p">(</span><span class="s">&#39;left&#39;</span><span class="p">,</span><span class="s">&#39;right&#39;</span><span class="p">,</span><span class="s">&#39;up&#39;</span><span class="p">,</span><span class="s">&#39;down&#39;</span><span class="p">):</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">EVT_TOOL</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="n">direc</span><span class="p">],</span><span class="bp">self</span><span class="o">.</span><span class="n">OnArrow</span><span class="p">)</span>
+            <span class="n">icon</span> <span class="o">=</span>  <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="n">__file__</span><span class="p">)[</span><span class="mi">0</span><span class="p">],</span><span class="n">direc</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;arrow.ico&#39;</span><span class="p">)</span>
+            <span class="bp">self</span><span class="o">.</span><span class="n">AddSimpleTool</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="n">direc</span><span class="p">],</span><span class="n">_load_bitmap</span><span class="p">(</span><span class="n">icon</span><span class="p">),</span>
+                               <span class="s">&#39;Shift &#39;</span><span class="o">+</span><span class="n">direc</span><span class="p">,</span><span class="s">&#39;Shift plot &#39;</span><span class="o">+</span><span class="n">direc</span><span class="p">)</span>
+        <span class="k">for</span> <span class="n">direc</span> <span class="ow">in</span> <span class="p">(</span><span class="s">&#39;Expand X&#39;</span><span class="p">,</span><span class="s">&#39;Shrink X&#39;</span><span class="p">,</span><span class="s">&#39;Expand Y&#39;</span><span class="p">,</span><span class="s">&#39;Shrink Y&#39;</span><span class="p">):</span>
+            <span class="n">fil</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">i</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">lower</span><span class="p">()</span> <span class="k">for</span> <span class="n">i</span> <span class="ow">in</span> <span class="n">direc</span><span class="o">.</span><span class="n">split</span><span class="p">()]</span><span class="o">+</span><span class="p">[</span><span class="s">&#39;arrow.ico&#39;</span><span class="p">])</span>
+            <span class="n">wx</span><span class="o">.</span><span class="n">EVT_TOOL</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="n">direc</span><span class="p">],</span><span class="bp">self</span><span class="o">.</span><span class="n">OnArrow</span><span class="p">)</span>
+            <span class="n">icon</span> <span class="o">=</span>  <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="n">__file__</span><span class="p">)[</span><span class="mi">0</span><span class="p">],</span><span class="n">fil</span><span class="p">)</span>
+            <span class="bp">self</span><span class="o">.</span><span class="n">AddSimpleTool</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="n">direc</span><span class="p">],</span><span class="n">_load_bitmap</span><span class="p">(</span><span class="n">icon</span><span class="p">),</span>
+                               <span class="n">direc</span><span class="p">,</span><span class="s">&#39;Zoom: &#39;</span><span class="o">+</span><span class="n">direc</span><span class="p">)</span>
+<div class="viewcode-block" id="GSASIItoolbar.OnArrow"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.GSASIItoolbar.OnArrow">[docs]</a>    <span class="k">def</span> <span class="nf">OnArrow</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
+        <span class="s">&#39;reposition limits to scan or zoom by button press&#39;</span>
+        <span class="n">ax</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">plotCanvas</span><span class="o">.</span><span class="n">figure</span><span class="o">.</span><span class="n">get_axes</span><span class="p">()[</span><span class="mi">0</span><span class="p">]</span>
+        <span class="n">xmin</span><span class="p">,</span><span class="n">xmax</span><span class="p">,</span><span class="n">ymin</span><span class="p">,</span><span class="n">ymax</span> <span class="o">=</span> <span class="n">ax</span><span class="o">.</span><span class="n">axis</span><span class="p">()</span>
+        <span class="c">#print xmin,xmax,ymin,ymax</span>
+        <span class="k">if</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;right&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">xmax</span><span class="o">-</span><span class="n">xmin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">xmin</span> <span class="o">-=</span> <span class="n">delta</span>
+            <span class="n">xmax</span> <span class="o">-=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;left&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">xmax</span><span class="o">-</span><span class="n">xmin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">xmin</span> <span class="o">+=</span> <span class="n">delta</span>
+            <span class="n">xmax</span> <span class="o">+=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;up&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">ymax</span><span class="o">-</span><span class="n">ymin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">ymin</span> <span class="o">-=</span> <span class="n">delta</span>
+            <span class="n">ymax</span> <span class="o">-=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;down&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">ymax</span><span class="o">-</span><span class="n">ymin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">ymin</span> <span class="o">+=</span> <span class="n">delta</span>
+            <span class="n">ymax</span> <span class="o">+=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;Expand X&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">xmax</span><span class="o">-</span><span class="n">xmin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">xmin</span> <span class="o">+=</span> <span class="n">delta</span>
+            <span class="n">xmax</span> <span class="o">-=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;Expand Y&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">ymax</span><span class="o">-</span><span class="n">ymin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">ymin</span> <span class="o">+=</span> <span class="n">delta</span>
+            <span class="n">ymax</span> <span class="o">-=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;Shrink X&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">xmax</span><span class="o">-</span><span class="n">xmin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">xmin</span> <span class="o">-=</span> <span class="n">delta</span>
+            <span class="n">xmax</span> <span class="o">+=</span> <span class="n">delta</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">Id</span> <span class="o">==</span> <span class="bp">self</span><span class="o">.</span><span class="n">arrows</span><span class="p">[</span><span class="s">&#39;Shrink Y&#39;</span><span class="p">]:</span>
+            <span class="n">delta</span> <span class="o">=</span> <span class="p">(</span><span class="n">ymax</span><span class="o">-</span><span class="n">ymin</span><span class="p">)</span><span class="o">/</span><span class="mf">10.</span>
+            <span class="n">ymin</span> <span class="o">-=</span> <span class="n">delta</span>
+            <span class="n">ymax</span> <span class="o">+=</span> <span class="n">delta</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="c"># should not happen!</span>
+            <span class="n">GSASIIpath</span><span class="o">.</span><span class="n">IPyBreak</span><span class="p">()</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">parent</span><span class="o">.</span><span class="n">toolbar</span><span class="o">.</span><span class="n">push_current</span><span class="p">()</span>
+        <span class="n">ax</span><span class="o">.</span><span class="n">axis</span><span class="p">((</span><span class="n">xmin</span><span class="p">,</span><span class="n">xmax</span><span class="p">,</span><span class="n">ymin</span><span class="p">,</span><span class="n">ymax</span><span class="p">))</span>
+        <span class="c">#print xmin,xmax,ymin,ymax</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">plotCanvas</span><span class="o">.</span><span class="n">figure</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">draw</span><span class="p">()</span>
+        <span class="bp">self</span><span class="o">.</span><span class="n">parent</span><span class="o">.</span><span class="n">toolbar</span><span class="o">.</span><span class="n">draw</span><span class="p">()</span>
+<span class="c">#        self.parent.toolbar.push_current()</span>
+        </div>
 <div class="viewcode-block" id="GSASIItoolbar.OnHelp"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.GSASIItoolbar.OnHelp">[docs]</a>    <span class="k">def</span> <span class="nf">OnHelp</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
-        <span class="s">&#39;needs a doc string&#39;</span>
+        <span class="s">&#39;Respond to press of help button on plot toolbar&#39;</span>
         <span class="n">Page</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetParent</span><span class="p">()</span><span class="o">.</span><span class="n">GetParent</span><span class="p">()</span>
         <span class="n">pageNo</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">GetSelection</span><span class="p">()</span>
         <span class="n">bookmark</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">GetPageText</span><span class="p">(</span><span class="n">pageNo</span><span class="p">)</span>
         <span class="n">bookmark</span> <span class="o">=</span> <span class="n">bookmark</span><span class="o">.</span><span class="n">strip</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">&#39;(&#39;</span><span class="p">,</span><span class="s">&#39;_&#39;</span><span class="p">)</span>
-        <span class="n">G2gd</span><span class="o">.</span><span class="n">ShowHelp</span><span class="p">(</span><span class="n">bookmark</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">TopLevelParent</span><span class="p">)</span></div>
+        <span class="n">G2G</span><span class="o">.</span><span class="n">ShowHelp</span><span class="p">(</span><span class="n">bookmark</span><span class="p">,</span><span class="bp">self</span><span class="o">.</span><span class="n">TopLevelParent</span><span class="p">)</span></div>
 <div class="viewcode-block" id="GSASIItoolbar.OnKey"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.GSASIItoolbar.OnKey">[docs]</a>    <span class="k">def</span> <span class="nf">OnKey</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">event</span><span class="p">):</span>
-        <span class="s">&#39;needs a doc string&#39;</span>
+        <span class="sd">&#39;&#39;&#39;Provide user with list of keystrokes defined for plot as well as an</span>
+<span class="sd">        alternate way to access the same functionality</span>
+<span class="sd">        &#39;&#39;&#39;</span>
         <span class="n">parent</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">GetParent</span><span class="p">()</span>
         <span class="k">if</span> <span class="n">parent</span><span class="o">.</span><span class="n">Choice</span><span class="p">:</span>
@@ -321 +390 @@
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;d&#39;</span><span class="p">:</span>
             <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">]</span> <span class="o">/=</span> <span class="mf">1.1</span>
-        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;+&#39;</span><span class="p">:</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="ow">in</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">Data</span><span class="p">[</span><span class="s">&#39;Layer&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="nb">min</span><span class="p">(</span><span class="n">Data</span><span class="p">[</span><span class="s">&#39;Layer&#39;</span><span class="p">]</span><span class="o">+</span><span class="mi">1</span><span class="p">,</span><span class="n">HKLmax</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;-&#39;</span><span class="p">:</span>
@@ -410 +479 @@
     <span class="n">Super</span> <span class="o">=</span> <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]</span>
     <span class="n">SuperVec</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="n">Super</span><span class="p">):</span>
-        <span class="n">SuperVec</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Data</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">SuperVec</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">SuperVec</span><span class="p">)</span>
+    <span class="k">if</span> <span class="n">Super</span><span class="p">:</span>
+        <span class="n">SuperVec</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">Data</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">FoMax</span> <span class="o">=</span> <span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">FosqMax</span><span class="p">)</span>
     <span class="n">xlabel</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;k, h=&#39;</span><span class="p">,</span><span class="s">&#39;h, k=&#39;</span><span class="p">,</span><span class="s">&#39;h, l=&#39;</span><span class="p">]</span>
@@ -429 +497 @@
         <span class="k">else</span><span class="p">:</span>
             <span class="n">Fosq</span><span class="p">,</span><span class="n">sig</span><span class="p">,</span><span class="n">Fcsq</span> <span class="o">=</span> <span class="n">refl</span><span class="p">[</span><span class="mi">8</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="mf">1.0</span><span class="p">,</span><span class="n">refl</span><span class="p">[</span><span class="mi">9</span><span class="o">+</span><span class="n">Super</span><span class="p">]</span>
-        <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">H</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">:</span><span class="mi">3</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">))</span>
+        <span class="k">if</span> <span class="n">Super</span><span class="p">:</span>
+            <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">H</span><span class="o">+</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span>
+        <span class="k">else</span><span class="p">:</span>
+            <span class="n">HKL</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">HKLF</span><span class="o">.</span><span class="n">append</span><span class="p">([</span><span class="n">Fosq</span><span class="p">,</span><span class="n">sig</span><span class="p">,</span><span class="n">Fcsq</span><span class="p">])</span>
         <span class="k">if</span> <span class="n">H</span><span class="p">[</span><span class="n">izone</span><span class="p">]</span> <span class="o">==</span> <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Layer&#39;</span><span class="p">]:</span>
@@ -462 +533 @@
                     <span class="n">A</span> <span class="o">=</span> <span class="p">(</span><span class="n">Fosq</span><span class="o">-</span><span class="n">Fcsq</span><span class="p">)</span><span class="o">/</span><span class="p">(</span><span class="mi">3</span><span class="o">*</span><span class="n">sig</span><span class="p">)</span>
                 <span class="k">if</span> <span class="nb">abs</span><span class="p">(</span><span class="n">A</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mf">3.0</span><span class="p">:</span> <span class="n">A</span> <span class="o">=</span> <span class="mi">0</span>
-                <span class="n">B</span> <span class="o">=</span> <span class="mi">0</span> 
-            <span class="n">h</span> <span class="o">=</span> <span class="n">H</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">:</span><span class="mi">3</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>                   
+                <span class="n">B</span> <span class="o">=</span> <span class="mi">0</span>
+            <span class="k">if</span> <span class="n">Super</span><span class="p">:</span>
+                <span class="n">h</span> <span class="o">=</span> <span class="n">H</span><span class="o">+</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span>                
+            <span class="k">else</span><span class="p">:</span>
+                <span class="n">h</span> <span class="o">=</span> <span class="n">H</span>
             <span class="n">xy</span> <span class="o">=</span> <span class="p">(</span><span class="n">h</span><span class="p">[</span><span class="n">pzone</span><span class="p">[</span><span class="n">izone</span><span class="p">][</span><span class="mi">0</span><span class="p">]],</span><span class="n">h</span><span class="p">[</span><span class="n">pzone</span><span class="p">[</span><span class="n">izone</span><span class="p">][</span><span class="mi">1</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;|DFsq|/sig&#39;</span><span class="p">,</span><span class="s">&#39;|DFsq|&gt;sig&#39;</span><span class="p">,</span><span class="s">&#39;|DFsq|&gt;3sig&#39;</span><span class="p">]:</span>
@@ -504 +578 @@
 <span class="c">################################################################################</span>
 </div>
-<div class="viewcode-block" id="Plot3DSngl"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.Plot3DSngl">[docs]</a><span class="k">def</span> <span class="nf">Plot3DSngl</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">newPlot</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span><span class="n">Data</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">hklRef</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">Title</span><span class="o">=</span><span class="s">&#39;&#39;</span><span class="p">):</span>
+<div class="viewcode-block" id="Plot3DSngl"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.Plot3DSngl">[docs]</a><span class="k">def</span> <span class="nf">Plot3DSngl</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">newPlot</span><span class="o">=</span><span class="bp">False</span><span class="p">,</span><span class="n">Data</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">hklRef</span><span class="o">=</span><span class="bp">None</span><span class="p">,</span><span class="n">Title</span><span class="o">=</span><span class="bp">False</span><span class="p">):</span>
     <span class="sd">&#39;&#39;&#39;3D Structure factor plotting package - displays reflections as rings proportional</span>
 <span class="sd">        to F, F**2, etc. as requested as 3D array</span>
 <span class="sd">    &#39;&#39;&#39;</span>
 
+    <span class="k">global</span> <span class="n">ifBox</span>
+    <span class="n">ifBox</span> <span class="o">=</span> <span class="bp">False</span>
     <span class="k">def</span> <span class="nf">OnKeyBox</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="n">mode</span> <span class="o">=</span> <span class="n">cb</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
@@ -520 +596 @@
                     <span class="k">print</span> <span class="s">&quot;PIL/pillow Image module not present. Cannot save images without this&quot;</span>
                     <span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s">&quot;PIL/pillow Image module not found&quot;</span><span class="p">)</span>
-            <span class="n">Fname</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">Mydir</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="s">&#39;.&#39;</span><span class="o">+</span><span class="n">mode</span><span class="p">)</span>
+            <span class="k">try</span><span class="p">:</span>
+                <span class="n">Fname</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">Mydir</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="s">&#39;.&#39;</span><span class="o">+</span><span class="n">mode</span><span class="p">)</span>
+            <span class="k">except</span> <span class="ne">NameError</span><span class="p">:</span>   <span class="c">#for when generalData doesn&#39;t exist!</span>
+                <span class="n">Fname</span> <span class="o">=</span> <span class="n">os</span><span class="o">.</span><span class="n">path</span><span class="o">.</span><span class="n">join</span><span class="p">(</span><span class="n">Mydir</span><span class="p">,</span><span class="s">&#39;unknown&#39;</span><span class="o">+</span><span class="s">&#39;.&#39;</span><span class="o">+</span><span class="n">mode</span><span class="p">)</span>
+            <span class="k">print</span> <span class="n">Fname</span><span class="o">+</span><span class="s">&#39; saved&#39;</span>
             <span class="n">size</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">GetSize</span><span class="p">()</span>
             <span class="n">glPixelStorei</span><span class="p">(</span><span class="n">GL_UNPACK_ALIGNMENT</span><span class="p">,</span> <span class="mi">1</span><span class="p">)</span>
             <span class="k">if</span> <span class="n">mode</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;jpeg&#39;</span><span class="p">,]:</span>
                 <span class="n">Pix</span> <span class="o">=</span> <span class="n">glReadPixels</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">size</span><span class="p">[</span><span class="mi">0</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="n">GL_RGBA</span><span class="p">,</span> <span class="n">GL_UNSIGNED_BYTE</span><span class="p">)</span>
-                <span class="n">im</span> <span class="o">=</span> <span class="n">Image</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGBA&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
+                <span class="n">im</span> <span class="o">=</span> <span class="n">Im</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGBA&quot;</span><span class="p">,</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="n">size</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="n">Pix</span> <span class="o">=</span> <span class="n">glReadPixels</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">size</span><span class="p">[</span><span class="mi">0</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="n">GL_RGB</span><span class="p">,</span> <span class="n">GL_UNSIGNED_BYTE</span><span class="p">)</span>
-                <span class="n">im</span> <span class="o">=</span> <span class="n">Image</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGB&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
+                <span class="n">im</span> <span class="o">=</span> <span class="n">Im</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGB&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
             <span class="n">im</span><span class="o">.</span><span class="n">fromstring</span><span class="p">(</span><span class="n">Pix</span><span class="p">)</span>
             <span class="n">im</span><span class="o">.</span><span class="n">save</span><span class="p">(</span><span class="n">Fname</span><span class="p">,</span><span class="n">mode</span><span class="p">)</span>
@@ -540 +620 @@
         
     <span class="k">def</span> <span class="nf">OnKey</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>           <span class="c">#on key UP!!</span>
+        <span class="k">global</span> <span class="n">ifBox</span>
         <span class="n">Choice</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;F&#39;</span><span class="p">:</span><span class="s">&#39;Fo&#39;</span><span class="p">,</span><span class="s">&#39;S&#39;</span><span class="p">:</span><span class="s">&#39;Fosq&#39;</span><span class="p">,</span><span class="s">&#39;U&#39;</span><span class="p">:</span><span class="s">&#39;Unit&#39;</span><span class="p">,</span><span class="s">&#39;D&#39;</span><span class="p">:</span><span class="s">&#39;dFsq&#39;</span><span class="p">,</span><span class="s">&#39;W&#39;</span><span class="p">:</span><span class="s">&#39;dFsq/sig&#39;</span><span class="p">}</span>
         <span class="k">try</span><span class="p">:</span>
@@ -559 +640 @@
             <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Quaternion&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">Q</span>
             <span class="n">Q</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Quaternion&#39;</span><span class="p">]</span>
-        <span class="k">elif</span> <span class="n">key</span> <span class="o">==</span> <span class="s">&#39;+&#39;</span><span class="p">:</span>
+        <span class="k">elif</span> <span class="n">key</span> <span class="ow">in</span> <span class="s">&#39;B&#39;</span><span class="p">:</span>
+            <span class="n">ifBox</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">ifBox</span>
+        <span class="k">elif</span> <span class="n">key</span> <span class="ow">in</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">Data</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">]</span> <span class="o">*=</span> <span class="mf">1.25</span>
         <span class="k">elif</span> <span class="n">key</span> <span class="o">==</span> <span class="s">&#39;-&#39;</span><span class="p">:</span>
             <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">]</span> <span class="o">/=</span> <span class="mf">1.25</span>
         <span class="k">elif</span> <span class="n">key</span> <span class="o">==</span> <span class="s">&#39;0&#39;</span><span class="p">:</span>
+            <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</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">0</span><span class="p">]</span>
             <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Scale&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="mf">1.0</span>
         <span class="k">elif</span> <span class="n">key</span> <span class="o">==</span> <span class="s">&#39;I&#39;</span><span class="p">:</span>
@@ -572 +656 @@
             
     <span class="n">Name</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">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">)</span>
-    <span class="k">if</span> <span class="n">Title</span> <span class="o">!=</span> <span class="s">&#39;no phase&#39;</span><span class="p">:</span>
+    <span class="k">if</span> <span class="n">Title</span><span class="p">:</span> <span class="c">#NB: save image as e.g. jpeg will fail if False; MyDir is unknown</span>
         <span class="n">generalData</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">GetPhaseData</span><span class="p">()[</span><span class="n">Title</span><span class="p">][</span><span class="s">&#39;General&#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">Mydir</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Mydir&#39;</span><span class="p">]</span>
     <span class="k">else</span><span class="p">:</span>
         <span class="n">cell</span> <span class="o">=</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="mi">10</span><span class="p">,</span><span class="mi">90</span><span class="p">,</span><span class="mi">90</span><span class="p">,</span><span class="mi">90</span><span class="p">]</span>
+        <span class="n">Mydir</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dirname</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">Super</span> <span class="o">=</span> <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Super&#39;</span><span class="p">]</span>
     <span class="n">SuperVec</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="n">Super</span><span class="p">):</span>
-        <span class="n">SuperVec</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Data</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">SuperVec</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">SuperVec</span><span class="p">)</span>
+    <span class="k">if</span> <span class="n">Super</span><span class="p">:</span>
+        <span class="n">SuperVec</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">Data</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">defaultViewPt</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">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#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">cell</span><span class="p">)</span>         <span class="c">#Amat - crystal to cartesian, Bmat - inverse</span>
@@ -599 +684 @@
     <span class="n">uBox</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="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">1</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="mi">1</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="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">1</span><span class="p">],[</span><span class="mi">1</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="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</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="mi">1</span><span class="p">]])</span>
     <span class="n">uEdges</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="p">[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">1</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">3</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">4</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">2</span><span class="p">]]])</span>
-    <span class="n">uColors</span> <span class="o">=</span> <span class="p">[</span><span class="n">Rd</span><span class="p">,</span><span class="n">Gr</span><span class="p">,</span><span class="n">Bl</span><span class="p">]</span>
-    
+        <span class="p">[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">1</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">3</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">4</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">2</span><span class="p">]],</span> 
+        <span class="p">[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">3</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">5</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">6</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">3</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">7</span><span class="p">]],</span> 
+        <span class="p">[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">4</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">5</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">6</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">6</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">7</span><span class="p">]],[</span><span class="n">uBox</span><span class="p">[</span><span class="mi">7</span><span class="p">],</span><span class="n">uBox</span><span class="p">[</span><span class="mi">4</span><span class="p">]]])</span>
+    <span class="n">uColors</span> <span class="o">=</span> <span class="p">[</span><span class="n">Rd</span><span class="p">,</span><span class="n">Gr</span><span class="p">,</span><span class="n">Bl</span><span class="p">,</span> <span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span> <span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span> <span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">]</span>
     <span class="k">def</span> <span class="nf">FillHKLRC</span><span class="p">():</span>
         <span class="n">R</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">(</span><span class="nb">len</span><span class="p">(</span><span class="n">hklRef</span><span class="p">))</span>
@@ -613 +699 @@
             <span class="k">else</span><span class="p">:</span>
                 <span class="n">Fosq</span><span class="p">,</span><span class="n">sig</span><span class="p">,</span><span class="n">Fcsq</span> <span class="o">=</span> <span class="n">refl</span><span class="p">[</span><span class="mi">8</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="mf">1.0</span><span class="p">,</span><span class="n">refl</span><span class="p">[</span><span class="mi">9</span><span class="o">+</span><span class="n">Super</span><span class="p">]</span>
-            <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">H</span><span class="o">+</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">:</span><span class="mi">3</span><span class="o">+</span><span class="n">Super</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">))</span>
+            <span class="k">if</span> <span class="n">Super</span><span class="p">:</span>
+                <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">H</span><span class="o">+</span><span class="n">SuperVec</span><span class="o">*</span><span class="n">refl</span><span class="p">[</span><span class="mi">3</span><span class="p">])</span>
+            <span class="k">else</span><span class="p">:</span>
+                <span class="n">HKL</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="k">if</span> <span class="n">Data</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">]</span> <span class="o">==</span> <span class="s">&#39;Unit&#39;</span><span class="p">:</span>
                 <span class="n">R</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="o">=</span> <span class="mf">0.1</span>
@@ -762 +851 @@
         <span class="n">glLightfv</span><span class="p">(</span><span class="n">GL_LIGHT0</span><span class="p">,</span><span class="n">GL_DIFFUSE</span><span class="p">,[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span>
         
+    <span class="k">def</span> <span class="nf">RenderBox</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">xyz</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">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">glEnable</span><span class="p">(</span><span class="n">GL_COLOR_MATERIAL</span><span class="p">)</span>
+        <span class="n">glLineWidth</span><span class="p">(</span><span class="mi">1</span><span class="p">)</span>
+        <span class="n">glPushMatrix</span><span class="p">()</span>
+        <span class="n">glTranslate</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">glColor4ubv</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">glBegin</span><span class="p">(</span><span class="n">GL_LINES</span><span class="p">)</span>
+        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">color</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">uEdges</span><span class="p">,</span><span class="n">uColors</span><span class="p">):</span>
+            <span class="n">glColor3ubv</span><span class="p">(</span><span class="n">color</span><span class="p">)</span>
+            <span class="n">glVertex3fv</span><span class="p">(</span><span class="n">line</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
+            <span class="n">glVertex3fv</span><span class="p">(</span><span class="n">line</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
+        <span class="n">glEnd</span><span class="p">()</span>
+        <span class="n">glPopMatrix</span><span class="p">()</span>
+        <span class="n">glColor4ubv</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">glDisable</span><span class="p">(</span><span class="n">GL_COLOR_MATERIAL</span><span class="p">)</span>
+        
     <span class="k">def</span> <span class="nf">RenderUnitVectors</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">xyz</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">x</span><span class="p">,</span><span class="n">y</span><span class="p">,</span><span class="n">z</span><span class="p">])</span>
@@ -769 +875 @@
         <span class="n">glTranslate</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">glBegin</span><span class="p">(</span><span class="n">GL_LINES</span><span class="p">)</span>
-        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">color</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">uEdges</span><span class="p">,</span><span class="n">uColors</span><span class="p">):</span>
+        <span class="k">for</span> <span class="n">line</span><span class="p">,</span><span class="n">color</span> <span class="ow">in</span> <span class="nb">zip</span><span class="p">(</span><span class="n">uEdges</span><span class="p">,</span><span class="n">uColors</span><span class="p">)[:</span><span class="mi">3</span><span class="p">]:</span>
             <span class="n">glColor3ubv</span><span class="p">(</span><span class="n">color</span><span class="p">)</span>
             <span class="n">glVertex3fv</span><span class="p">(</span><span class="o">-</span><span class="n">line</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
@@ -833 +939 @@
         <span class="n">glTranslate</span><span class="p">(</span><span class="o">-</span><span class="n">Tx</span><span class="p">,</span><span class="o">-</span><span class="n">Ty</span><span class="p">,</span><span class="o">-</span><span class="n">Tz</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">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
-        <span class="n">RenderUnitVectors</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="k">if</span> <span class="n">ifBox</span><span class="p">:</span>
+            <span class="n">RenderBox</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="k">else</span><span class="p">:</span>
+            <span class="n">RenderUnitVectors</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">RenderUnitVectors</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">RenderDots</span><span class="p">(</span><span class="n">HKL</span><span class="p">,</span><span class="n">RC</span><span class="p">)</span>
@@ -854 +963 @@
     <span class="n">Page</span><span class="o">.</span><span class="n">SetFocus</span><span class="p">()</span>
     <span class="n">Page</span><span class="o">.</span><span class="n">Choice</span> <span class="o">=</span> <span class="bp">None</span>
-    <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; save as/key:&#39;</span><span class="p">,</span><span class="s">&#39;jpeg&#39;</span><span class="p">,</span><span class="s">&#39;tiff&#39;</span><span class="p">,</span><span class="s">&#39;bmp&#39;</span><span class="p">,</span><span class="s">&#39;c: recenter to default&#39;</span><span class="p">,</span><span class="s">&#39;+: increase scale&#39;</span><span class="p">,</span>
+    <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; save as/key:&#39;</span><span class="p">,</span><span class="s">&#39;jpeg&#39;</span><span class="p">,</span><span class="s">&#39;tiff&#39;</span><span class="p">,</span><span class="s">&#39;bmp&#39;</span><span class="p">,</span><span class="s">&#39;c: recenter to default&#39;</span><span class="p">,</span><span class="s">&#39;b: toggle box &#39;</span><span class="p">,</span><span class="s">&#39;+: increase scale&#39;</span><span class="p">,</span>
     <span class="s">&#39;-: decrease scale&#39;</span><span class="p">,</span><span class="s">&#39;f: Fobs&#39;</span><span class="p">,</span><span class="s">&#39;s: Fobs**2&#39;</span><span class="p">,</span><span class="s">&#39;u: unit&#39;</span><span class="p">,</span><span class="s">&#39;d: Fo-Fc&#39;</span><span class="p">,</span><span class="s">&#39;w: DF/sig&#39;</span><span class="p">,</span><span class="s">&#39;i: toggle intensity scaling&#39;</span><span class="p">]</span>
     <span class="n">cb</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">G2plotNB</span><span class="o">.</span><span class="n">status</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="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</span><span class="p">,</span><span class="n">choices</span><span class="o">=</span><span class="n">choice</span><span class="p">)</span>
@@ -869 +978 @@
     <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">]</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">Amat</span><span class="p">,</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span>
     <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;backColor&#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="nb">list</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#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="o">/</span><span class="mf">255.</span>
+    <span class="n">Page</span><span class="o">.</span><span class="n">controls</span> <span class="o">=</span> <span class="n">Data</span>
     <span class="k">try</span><span class="p">:</span>
         <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetCurrent</span><span class="p">()</span>
@@ -891 +1001 @@
     <span class="k">global</span> <span class="n">Ymax</span>
     <span class="n">plottype</span> <span class="o">=</span> <span class="n">plotType</span>
-    
+<span class="c">#patch</span>
+    <span class="n">data</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">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">)</span>
+    <span class="k">if</span> <span class="s">&#39;Offset&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">and</span> <span class="n">plotType</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;PWDR&#39;</span><span class="p">,</span><span class="s">&#39;SASD&#39;</span><span class="p">]:</span>     <span class="c">#plot offset data</span>
+        <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">update</span><span class="p">({</span><span class="s">&#39;Offset&#39;</span><span class="p">:[</span><span class="mf">0.0</span><span class="p">,</span><span class="mf">0.0</span><span class="p">],</span><span class="s">&#39;delOffset&#39;</span><span class="p">:</span><span class="mf">0.02</span><span class="p">,</span><span class="s">&#39;refOffset&#39;</span><span class="p">:</span><span class="o">-</span><span class="mf">1.0</span><span class="p">,</span>
+            <span class="s">&#39;refDelt&#39;</span><span class="p">:</span><span class="mf">0.01</span><span class="p">,</span><span class="s">&#39;qPlot&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;dPlot&#39;</span><span class="p">:</span><span class="bp">False</span><span class="p">,</span><span class="s">&#39;sqrtPlot&#39;</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">PatternTree</span><span class="o">.</span><span class="n">SetItemPyData</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
+<span class="c">#end patch</span>
     <span class="k">def</span> <span class="nf">OnPlotKeyPress</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="k">try</span><span class="p">:</span>        <span class="c">#one way to check if key stroke will work on plot</span>
@@ -916 +1032 @@
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">logPlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">logPlot</span>
                 <span class="k">if</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">logPlot</span><span class="p">:</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="mi">0</span>
                 <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;s&#39;</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
@@ -930 +1046 @@
                 <span class="n">dlg</span><span class="o">.</span><span class="n">Destroy</span><span class="p">()</span>
             <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">:</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span> <span class="o">=</span> <span class="o">.</span><span class="mo">002</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refOffset</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.0</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refDelt</span> <span class="o">=</span> <span class="o">.</span><span class="mo">001</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">.</span><span class="mo">002</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.0</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refDelt&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">.</span><span class="mo">001</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span> <span class="o">=</span> <span class="o">.</span><span class="mo">02</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refOffset</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.0</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refDelt</span> <span class="o">=</span> <span class="o">.</span><span class="mo">01</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">.</span><span class="mo">02</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="mf">1.0</span>
+                    <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refDelt&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">.</span><span class="mo">01</span>
             <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;u&#39;</span> <span class="ow">and</span> <span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span> <span class="ow">or</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">):</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</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="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span><span class="o">*</span><span class="mf">1.2</span><span class="p">)</span>
-            <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">100.</span><span class="p">:</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
+            <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">100.</span><span class="p">:</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;d&#39;</span> <span class="ow">and</span> <span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span> <span class="ow">or</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">):</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span><span class="o">*</span><span class="mf">0.8</span><span class="p">)</span>
-            <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&gt;</span> <span class="mf">0.</span><span class="p">:</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
+            <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">&gt;</span> <span class="mf">0.</span><span class="p">:</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;l&#39;</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;r&#39;</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;o&#39;</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">:</span>
             <span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span> <span class="o">=</span> <span class="mf">1.0</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</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="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#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="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;c&#39;</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
             <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
             <span class="k">if</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span> <span class="o">=</span> <span class="bp">False</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</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">SinglePlot</span> <span class="o">=</span> <span class="bp">True</span>                
@@ -968 +1084 @@
             <span class="k">if</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                 <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="o">=</span> <span class="bp">False</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
             <span class="k">elif</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                 <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">sqPlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">sqPlot</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;t&#39;</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="o">=</span> <span class="bp">False</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
             <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>      
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;m&#39;</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span> <span class="o">=</span> <span class="bp">False</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="bp">False</span>
             <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span> <span class="o">=</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span>                
             <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
-        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;+&#39;</span><span class="p">:</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="ow">in</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="n">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span> <span class="o">=</span> <span class="bp">False</span>
@@ -995 +1111 @@
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Interpolate</span> <span class="o">=</span> <span class="s">&#39;nearest&#39;</span>
             <span class="n">dlg</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="c">#            print &#39;no binding for key&#39;,event.key</span>
+            <span class="c">#GSASIIpath.IPyBreak()</span>
+            <span class="k">return</span>
         <span class="n">wx</span><span class="o">.</span><span class="n">CallAfter</span><span class="p">(</span><span class="n">PlotPatterns</span><span class="p">,</span><span class="n">G2frame</span><span class="p">,</span><span class="n">newPlot</span><span class="o">=</span><span class="n">newPlot</span><span class="p">,</span><span class="n">plotType</span><span class="o">=</span><span class="n">plottype</span><span class="p">)</span>
         
@@ -1005 +1124 @@
             <span class="k">try</span><span class="p">:</span>
                 <span class="n">Parms</span><span class="p">,</span><span class="n">Parms2</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">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">,</span> <span class="s">&#39;Instrument Parameters&#39;</span><span class="p">))</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                     <span class="n">q</span> <span class="o">=</span> <span class="n">xpos</span>
                     <span class="n">dsp</span> <span class="o">=</span> <span class="mf">2.</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="n">q</span>
@@ -1015 +1134 @@
                     <span class="n">q</span> <span class="o">=</span> <span class="n">xpos</span>
                     <span class="n">dsp</span> <span class="o">=</span> <span class="mf">2.</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="n">q</span>
-                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
+                <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
                     <span class="n">dsp</span> <span class="o">=</span> <span class="n">xpos</span>
                     <span class="n">q</span> <span class="o">=</span> <span class="mf">2.</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="n">dsp</span>
                     <span class="n">xpos</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xpos</span><span class="p">)</span>
+                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span> <span class="ow">and</span> <span class="s">&#39;T&#39;</span> <span class="ow">in</span> <span class="n">Parms</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span>
+                    <span class="n">xpos</span> <span class="o">=</span> <span class="n">X</span><span class="p">[</span><span class="n">xpos</span><span class="p">]</span>                    
+                    <span class="n">dsp</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xpos</span><span class="p">)</span>
+                    <span class="n">q</span> <span class="o">=</span> <span class="mf">2.</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="n">dsp</span>
                 <span class="k">else</span><span class="p">:</span>
                     <span class="n">dsp</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xpos</span><span class="p">)</span>
@@ -1030 +1153 @@
                     <span class="k">if</span> <span class="s">&#39;C&#39;</span> <span class="ow">in</span> <span class="n">Parms</span><span class="p">[</span><span class="s">&#39;Type&#39;</span><span class="p">][</span><span class="mi">0</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">plottype</span><span class="p">:</span>
-                            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+                            <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</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">status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;2-theta =</span><span class="si">%9.3f</span><span class="s"> d =</span><span class="si">%9.5f</span><span class="s"> q = </span><span class="si">%9.5f</span><span class="s"> sqrt(Intensity) =</span><span class="si">%9.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">xpos</span><span class="p">,</span><span class="n">dsp</span><span class="p">,</span><span class="n">q</span><span class="p">,</span><span class="n">ypos</span><span class="p">),</span><span class="mi">1</span><span class="p">)</span>
                             <span class="k">else</span><span class="p">:</span>
@@ -1037 +1160 @@
                             <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;q =</span><span class="si">%12.5g</span><span class="s"> Intensity =</span><span class="si">%12.5g</span><span class="s"> d =</span><span class="si">%9.1f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">q</span><span class="p">,</span><span class="n">ypos</span><span class="p">,</span><span class="n">dsp</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">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</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">status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;TOF =</span><span class="si">%9.3f</span><span class="s"> d =</span><span class="si">%9.5f</span><span class="s"> q =</span><span class="si">%9.5f</span><span class="s"> sqrt(Intensity) =</span><span class="si">%9.2f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">xpos</span><span class="p">,</span><span class="n">dsp</span><span class="p">,</span><span class="n">q</span><span class="p">,</span><span class="n">ypos</span><span class="p">),</span><span class="mi">1</span><span class="p">)</span>
                         <span class="k">else</span><span class="p">:</span>
@@ -1045 +1168 @@
                 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">:</span>
                     <span class="n">found</span> <span class="o">=</span> <span class="p">[]</span>
-                    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">)</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Index Peak List&#39;</span><span class="p">,</span><span class="s">&#39;Unit Cells List&#39;</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">]</span> <span class="ow">or</span> \
-                        <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">PickId</span><span class="p">):</span>
+                    <span class="n">pickIdText</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">GetItemText</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">)</span>
+                    <span class="k">if</span> <span class="n">pickIdText</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Index Peak List&#39;</span><span class="p">,</span><span class="s">&#39;Unit Cells List&#39;</span><span class="p">,</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">]</span> <span class="ow">or</span> \
+                        <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">pickIdText</span><span class="p">:</span>
+                        <span class="n">indx</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
+                        <span class="k">if</span> <span class="n">pickIdText</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Index Peak List&#39;</span><span class="p">,</span><span class="s">&#39;Unit Cells List&#39;</span><span class="p">,]:</span>
+                            <span class="n">indx</span> <span class="o">=</span> <span class="o">-</span><span class="mi">2</span>
                         <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">HKL</span><span class="p">):</span>
                             <span class="n">view</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">toolbar</span><span class="o">.</span><span class="n">_views</span><span class="o">.</span><span class="n">forward</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="n">wid</span> <span class="o">=</span> <span class="n">view</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">view</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
-                            <span class="n">found</span> <span class="o">=</span> <span class="n">HKL</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">fabs</span><span class="p">(</span><span class="n">HKL</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">-</span><span class="n">xpos</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mf">0.002</span><span class="o">*</span><span class="n">wid</span><span class="p">)]</span>
+                            <span class="n">found</span> <span class="o">=</span> <span class="n">HKL</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">fabs</span><span class="p">(</span><span class="n">HKL</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="n">indx</span><span class="p">]</span><span class="o">-</span><span class="n">xpos</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mf">0.002</span><span class="o">*</span><span class="n">wid</span><span class="p">)]</span>
                         <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">found</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">found</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="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetToolTipString</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">,</span><span class="si">%d</span><span class="s">,</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="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)))</span>
+                            <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">found</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="p">:</span>   <span class="c">#SS reflections</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="o">=</span> <span class="n">found</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="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetToolTipString</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">,</span><span class="si">%d</span><span class="s">,</span><span class="si">%d</span><span class="s">,</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="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">m</span><span class="p">)))</span>
+                            <span class="k">else</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">found</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="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetToolTipString</span><span class="p">(</span><span class="s">&#39;</span><span class="si">%d</span><span class="s">,</span><span class="si">%d</span><span class="s">,</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="n">h</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">k</span><span class="p">),</span><span class="nb">int</span><span class="p">(</span><span class="n">l</span><span class="p">)))</span>
                         <span class="k">else</span><span class="p">:</span>
                             <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetToolTipString</span><span class="p">(</span><span class="s">&#39;&#39;</span><span class="p">)</span>
@@ -1080 +1211 @@
             <span class="k">if</span> <span class="n">ind</span><span class="o">.</span><span class="n">all</span><span class="p">()</span> <span class="o">!=</span> <span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="ow">and</span> <span class="n">ObsLine</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">get_label</span><span class="p">()</span> <span class="ow">in</span> <span class="nb">str</span><span class="p">(</span><span class="n">pick</span><span class="p">):</span>                                    <span class="c">#picked a data point</span>
                 <span class="n">data</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">G2frame</span><span class="o">.</span><span class="n">PickId</span><span class="p">)</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>                              <span class="c">#qplot - convert back to 2-theta</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>                              <span class="c">#qplot - convert back to 2-theta</span>
                     <span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="mi">2</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="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
-                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>                            <span class="c">#dplot - convert back to 2-theta</span>
+                <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>                            <span class="c">#dplot - convert back to 2-theta</span>
                     <span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
                 <span class="n">XY</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">setPeakparms</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">Parms2</span><span class="p">,</span><span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">xy</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
@@ -1095 +1226 @@
                 <span class="n">LimitId</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">PatternId</span><span class="p">,</span> <span class="s">&#39;Limits&#39;</span><span class="p">)</span>
                 <span class="n">data</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">LimitId</span><span class="p">)</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>                              <span class="c">#qplot - convert back to 2-theta</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>                              <span class="c">#qplot - convert back to 2-theta</span>
                     <span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="mi">2</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="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
-                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>                            <span class="c">#dplot - convert back to 2-theta</span>
+                <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>                            <span class="c">#dplot - convert back to 2-theta</span>
                     <span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xy</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
                 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">ifGetExclude</span><span class="p">:</span>
@@ -1134 +1265 @@
     <span class="k">def</span> <span class="nf">OnRelease</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
         <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">itemPicked</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span>
+        <span class="n">PickId</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span>
         <span class="k">if</span> <span class="nb">str</span><span class="p">(</span><span class="n">DifLine</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span> <span class="o">==</span> <span class="nb">str</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">itemPicked</span><span class="p">):</span>
+            <span class="n">data</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">PickId</span><span class="p">)</span>
             <span class="n">ypos</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">ydata</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span> <span class="o">=</span> <span class="o">-</span><span class="n">ypos</span><span class="o">/</span><span class="n">Ymax</span>
+            <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="n">ypos</span><span class="o">/</span><span class="n">Ymax</span>
             <span class="n">G2frame</span><span class="o">.</span><span class="n">itemPicked</span> <span class="o">=</span> <span class="bp">None</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">SetItemPyData</span><span class="p">(</span><span class="n">PickId</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
             <span class="n">PlotPatterns</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">plotType</span><span class="o">=</span><span class="n">plottype</span><span class="p">)</span>
             <span class="k">return</span>
         <span class="n">Parms</span><span class="p">,</span><span class="n">Parms2</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">G2frame</span><span class="o">.</span><span class="n">PatternId</span><span class="p">,</span> <span class="s">&#39;Instrument Parameters&#39;</span><span class="p">))</span>
         <span class="n">xpos</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">xdata</span>
-        <span class="n">PickId</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PickId</span>
         <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">PickId</span><span class="p">)</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Peak List&#39;</span><span class="p">,</span><span class="s">&#39;Limits&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="n">xpos</span><span class="p">:</span>
             <span class="n">lines</span> <span class="o">=</span> <span class="p">[]</span>
@@ -1156 +1289 @@
                 <span class="nb">id</span> <span class="o">=</span> <span class="n">lineNo</span><span class="o">/</span><span class="mi">2</span><span class="o">+</span><span class="mi">1</span>
                 <span class="n">id2</span> <span class="o">=</span> <span class="n">lineNo</span><span class="o">%</span><span class="mi">2</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                     <span class="n">data</span><span class="p">[</span><span class="nb">id</span><span class="p">][</span><span class="n">id2</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="mf">2.</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="n">xpos</span><span class="p">)</span>
-                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+                <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                     <span class="n">data</span><span class="p">[</span><span class="nb">id</span><span class="p">][</span><span class="n">id2</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xpos</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -1175 +1308 @@
                     <span class="k">del</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;peaks&#39;</span><span class="p">][</span><span class="n">lineNo</span><span class="o">-</span><span class="mi">2</span><span class="p">]</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>
                         <span class="n">data</span><span class="p">[</span><span class="s">&#39;peaks&#39;</span><span class="p">][</span><span class="n">lineNo</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="mf">2.</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="n">xpos</span><span class="p">)</span>
-                    <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
+                    <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
                         <span class="n">data</span><span class="p">[</span><span class="s">&#39;peaks&#39;</span><span class="p">][</span><span class="n">lineNo</span><span class="o">-</span><span class="mi">2</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Dsp2pos</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xpos</span><span class="p">)</span>
                     <span class="k">else</span><span class="p">:</span>
@@ -1204 +1337 @@
             <span class="n">pick</span> <span class="o">=</span> <span class="nb">str</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">itemPicked</span><span class="p">)</span><span class="o">.</span><span class="n">split</span><span class="p">(</span><span class="s">&#39;(&#39;</span><span class="p">)[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">strip</span><span class="p">(</span><span class="s">&#39;)&#39;</span><span class="p">)</span>
             <span class="k">if</span> <span class="s">&#39;line&#39;</span> <span class="ow">not</span> <span class="ow">in</span> <span class="n">pick</span><span class="p">:</span>       <span class="c">#avoid data points, etc.</span>
+                <span class="n">data</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">PickId</span><span class="p">)</span>
                 <span class="n">num</span> <span class="o">=</span> <span class="n">Phases</span><span class="o">.</span><span class="n">keys</span><span class="p">()</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="n">pick</span><span class="p">)</span>
                 <span class="k">if</span> <span class="n">num</span><span class="p">:</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refDelt</span> <span class="o">=</span> <span class="o">-</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">ydata</span><span class="o">-</span><span class="n">G2frame</span><span class="o">.</span><span class="n">refOffset</span><span class="p">)</span><span class="o">/</span><span class="p">(</span><span class="n">num</span><span class="o">*</span><span class="n">Ymax</span><span class="p">)</span>
+                    <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refDelt&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="o">-</span><span class="p">(</span><span class="n">event</span><span class="o">.</span><span class="n">ydata</span><span class="o">-</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refOffset&#39;</span><span class="p">])</span><span class="o">/</span><span class="p">(</span><span class="n">num</span><span class="o">*</span><span class="n">Ymax</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>       <span class="c">#1st row of refl ticks</span>
-                    <span class="n">G2frame</span><span class="o">.</span><span class="n">refOffset</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">ydata</span>
+                    <span class="n">data</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refOffset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">ydata</span>
+                <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">SetItemPyData</span><span class="p">(</span><span class="n">PickId</span><span class="p">,</span><span class="n">data</span><span class="p">)</span>
         <span class="n">PlotPatterns</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">plotType</span><span class="o">=</span><span class="n">plottype</span><span class="p">)</span>
         <span class="n">G2frame</span><span class="o">.</span><span class="n">itemPicked</span> <span class="o">=</span> <span class="bp">None</span>    
@@ -1287 +1422 @@
     <span class="n">Lines</span> <span class="o">=</span> <span class="p">[]</span>
     <span class="n">exclLines</span> <span class="o">=</span> <span class="p">[]</span>
-    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span><span class="p">:</span>
+    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span> <span class="ow">and</span> <span class="n">PatternId</span><span class="p">:</span>
         <span class="n">Pattern</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="n">Pattern</span><span class="o">.</span><span class="n">append</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">GetItemText</span><span class="p">(</span><span class="n">PatternId</span><span class="p">))</span>
@@ -1319 +1454 @@
             <span class="n">Phases</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">HKL</span> <span class="o">=</span> <span class="p">[]</span>
-            <span class="k">if</span> <span class="n">Phases</span><span class="p">:</span>
+            <span class="k">if</span> <span class="n">Phases</span><span class="p">:</span>  
                 <span class="k">try</span><span class="p">:</span>
                     <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">Phases</span><span class="p">[</span><span class="n">G2frame</span><span class="o">.</span><span class="n">RefList</span><span class="p">][</span><span class="s">&#39;RefList&#39;</span><span class="p">]:</span>
-                        <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">peak</span><span class="p">[:</span><span class="mi">6</span><span class="p">])</span>
-                <span class="k">except</span> <span class="ne">TypeError</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">peak</span><span class="p">)</span> <span class="o">&gt;</span> <span class="mi">15</span><span class="p">:</span>
+                            <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">peak</span><span class="p">[:</span><span class="mi">7</span><span class="p">])</span>    <span class="c">#SS reflection list - need peak[:7]</span>
+                        <span class="k">else</span><span class="p">:</span>
+                            <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">peak</span><span class="p">[:</span><span class="mi">6</span><span class="p">])</span>
+                <span class="k">except</span> <span class="ne">TypeError</span><span class="p">:</span>   <span class="c">#old style patch</span>
                     <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">Phases</span><span class="p">[</span><span class="n">G2frame</span><span class="o">.</span><span class="n">RefList</span><span class="p">]:</span>
                         <span class="n">HKL</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">peak</span><span class="p">[:</span><span class="mi">6</span><span class="p">])</span>                    
@@ -1336 +1474 @@
         <span class="n">Ymax</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Ymax</span><span class="p">,</span><span class="nb">max</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
     <span class="k">if</span> <span class="n">Ymax</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> <span class="k">return</span> <span class="c"># nothing to plot</span>
-    <span class="n">offset</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
+    <span class="n">offsetX</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span>
+    <span class="n">offsetY</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
     <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">logPlot</span><span class="p">:</span>
         <span class="n">Title</span> <span class="o">=</span> <span class="s">&#39;log(&#39;</span><span class="o">+</span><span class="n">Title</span><span class="o">+</span><span class="s">&#39;)&#39;</span>
     <span class="n">Plot</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="n">Title</span><span class="p">)</span>
-    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="ow">or</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+    <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="ow">or</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
         <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;$Q, \AA^{-1}$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
-    <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+    <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
         <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;$d, \AA$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
     <span class="k">else</span><span class="p">:</span>
@@ -1348 +1487 @@
             <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;$\mathsf{2\theta}$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
-            <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;$TOF, \mathsf{\mu}$s&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>            
+            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
+                <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;Channel no.&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>            
+            <span class="k">else</span><span class="p">:</span>
+                <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">r&#39;$TOF, \mathsf{\mu}$s&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>            
     <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Weight</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">plottype</span><span class="p">:</span>
@@ -1357 +1499 @@
         <span class="k">if</span> <span class="s">&#39;C&#39;</span> <span class="ow">in</span> <span class="n">ParmList</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">][</span><span class="mi">0</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">plottype</span><span class="p">:</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
                     <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">r&#39;$\sqrt{Intensity}$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -1367 +1509 @@
                     <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">r&#39;$Intensity, cm^{-1}$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
-            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+            <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
                 <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">r&#39;$\sqrt{Normalized\ intensity}$&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">16</span><span class="p">)</span>
             <span class="k">else</span><span class="p">:</span>
@@ -1394 +1536 @@
             <span class="k">for</span> <span class="n">excl</span> <span class="ow">in</span> <span class="n">excls</span><span class="p">:</span>
                 <span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">=</span> <span class="n">ma</span><span class="o">.</span><span class="n">masked_inside</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">excl</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">excl</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
-        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+        <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
             <span class="n">Id</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">Pattern</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span>
             <span class="n">X</span> <span class="o">=</span> <span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
-        <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+        <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
             <span class="n">Id</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">Pattern</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span>
             <span class="n">X</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">])</span>
@@ -1405 +1547 @@
             <span class="n">lenX</span> <span class="o">=</span> <span class="nb">len</span><span class="p">(</span><span class="n">X</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">plottype</span><span class="p">:</span>
-            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+            <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
                 <span class="n">olderr</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="s">&#39;ignore&#39;</span><span class="p">)</span> <span class="c">#get around sqrt(-ve) error</span>
                 <span class="n">Y</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">&gt;=</span><span class="mf">0.</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]),</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="o">-</span><span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
                 <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="n">olderr</span><span class="p">[</span><span class="s">&#39;invalid&#39;</span><span class="p">])</span>
             <span class="k">else</span><span class="p">:</span>
-                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="n">offset</span><span class="o">*</span><span class="n">N</span>
+                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="n">offsetY</span><span class="o">*</span><span class="n">N</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
         <span class="k">elif</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
             <span class="n">B</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">sqPlot</span><span class="p">:</span>
-                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</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="p">(</span><span class="mf">1.005</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">offset</span><span class="o">*</span><span class="n">N</span><span class="p">)</span><span class="o">*</span><span class="n">X</span><span class="o">**</span><span class="mi">4</span>
+                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</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="p">(</span><span class="mf">1.05</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">offsetY</span><span class="o">*</span><span class="n">N</span><span class="p">)</span><span class="o">*</span><span class="n">X</span><span class="o">**</span><span class="mi">4</span>
             <span class="k">else</span><span class="p">:</span>
-                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</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="p">(</span><span class="mf">1.005</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">offset</span><span class="o">*</span><span class="n">N</span><span class="p">)</span>
+                <span class="n">Y</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</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="p">(</span><span class="mf">1.05</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">offsetY</span><span class="o">*</span><span class="n">N</span><span class="p">)</span>
         <span class="k">if</span> <span class="n">LimitId</span> <span class="ow">and</span> <span class="n">ifpicked</span><span class="p">:</span>
             <span class="n">limits</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">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">LimitId</span><span class="p">))</span>
             <span class="n">lims</span> <span class="o">=</span> <span class="n">limits</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
-            <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+            <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                 <span class="n">lims</span> <span class="o">=</span> <span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">lims</span><span class="p">)</span>
-            <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
+            <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                 <span class="n">lims</span> <span class="o">=</span> <span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">lims</span><span class="p">)</span>
             <span class="n">Lines</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">lims</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;g&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">))</span>    
@@ -1430 +1572 @@
                 <span class="n">Lines</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">item</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;m&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">))</span>
                 <span class="n">exclLines</span> <span class="o">+=</span> <span class="p">[</span><span class="mi">2</span><span class="o">*</span><span class="n">i</span><span class="o">+</span><span class="mi">2</span><span class="p">,</span><span class="mi">2</span><span class="o">*</span><span class="n">i</span><span class="o">+</span><span class="mi">3</span><span class="p">]</span>
-        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
-            
+        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>            
             <span class="k">if</span> <span class="n">lenX</span> <span class="o">==</span> <span class="nb">len</span><span class="p">(</span><span class="n">X</span><span class="p">):</span>
                 <span class="n">ContourY</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">N</span><span class="p">)</span>
                 <span class="n">ContourZ</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Y</span><span class="p">)</span>
-                <span class="n">ContourX</span> <span class="o">=</span> <span class="n">X</span>
+                <span class="k">if</span> <span class="s">&#39;C&#39;</span> <span class="ow">in</span> <span class="n">ParmList</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Type&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]:</span>        
+                    <span class="n">ContourX</span> <span class="o">=</span> <span class="n">X</span>
+                <span class="k">else</span><span class="p">:</span> <span class="c">#&#39;T&#39;OF</span>
+                    <span class="n">ContourX</span> <span class="o">=</span> <span class="nb">range</span><span class="p">(</span><span class="n">lenX</span><span class="p">)</span>
                 <span class="n">Nseq</span> <span class="o">+=</span> <span class="mi">1</span>
                 <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">&#39;Data sequence&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">12</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
             <span class="k">if</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span> <span class="ow">and</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">logPlot</span><span class="p">:</span>
-                <span class="n">X</span> <span class="o">*=</span> <span class="p">(</span><span class="mf">1.01</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*</span><span class="n">N</span><span class="p">)</span>
+                <span class="n">X</span> <span class="o">*=</span> <span class="p">(</span><span class="mf">1.01</span><span class="p">)</span><span class="o">**</span><span class="p">(</span><span class="n">offsetX</span><span class="o">*</span><span class="n">N</span><span class="p">)</span>
             <span class="k">else</span><span class="p">:</span>
-                <span class="n">X</span> <span class="o">+=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*.</span><span class="mo">005</span><span class="o">*</span><span class="n">N</span>
+                <span class="n">X</span> <span class="o">+=</span> <span class="n">offsetX</span><span class="o">*.</span><span class="mo">005</span><span class="o">*</span><span class="n">N</span>
             <span class="n">Xum</span> <span class="o">=</span> <span class="n">ma</span><span class="o">.</span><span class="n">getdata</span><span class="p">(</span><span class="n">X</span><span class="p">)</span>
             <span class="n">DifLine</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;&#39;</span><span class="p">]</span>
             <span class="k">if</span> <span class="n">ifpicked</span><span class="p">:</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
+                    <span class="n">olderr</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="s">&#39;ignore&#39;</span><span class="p">)</span> <span class="c">#get around sqrt(-ve) error</span>
                     <span class="n">Z</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">&gt;=</span><span class="mf">0.</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]),</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="o">-</span><span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]))</span>
+                    <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="n">olderr</span><span class="p">[</span><span class="s">&#39;invalid&#39;</span><span class="p">])</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="n">Z</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">+</span><span class="n">offset</span><span class="o">*</span><span class="n">N</span>
+                    <span class="n">Z</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span><span class="o">+</span><span class="n">offsetY</span><span class="o">*</span><span class="n">N</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
                 <span class="k">if</span> <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
-                    <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">SqrtPlot</span><span class="p">:</span>
+                    <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;sqrtPlot&#39;</span><span class="p">]:</span>
+                        <span class="n">olderr</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="s">&#39;ignore&#39;</span><span class="p">)</span> <span class="c">#get around sqrt(-ve) error</span>
                         <span class="n">W</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">4</span><span class="p">]</span><span class="o">&gt;=</span><span class="mf">0.</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">4</span><span class="p">]),</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="o">-</span><span class="n">xye</span><span class="p">[</span><span class="mi">4</span><span class="p">]))</span>
-                        <span class="n">D</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">],(</span><span class="n">Y</span><span class="o">-</span><span class="n">Z</span><span class="p">),</span><span class="mf">0.</span><span class="p">)</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span>
+                        <span class="n">np</span><span class="o">.</span><span class="n">seterr</span><span class="p">(</span><span class="n">invalid</span><span class="o">=</span><span class="n">olderr</span><span class="p">[</span><span class="s">&#39;invalid&#39;</span><span class="p">])</span>
+                        <span class="n">D</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">],(</span><span class="n">Y</span><span class="o">-</span><span class="n">Z</span><span class="p">),</span><span class="mf">0.</span><span class="p">)</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span>
                     <span class="k">else</span><span class="p">:</span>
-                        <span class="n">W</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">4</span><span class="p">]</span><span class="o">+</span><span class="n">offset</span><span class="o">*</span><span class="n">N</span>
-                        <span class="n">D</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span>  <span class="c">#powder background</span>
+                        <span class="n">W</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">4</span><span class="p">]</span><span class="o">+</span><span class="n">offsetY</span><span class="o">*</span><span class="n">N</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
+                        <span class="n">D</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span>  <span class="c">#powder background</span>
                 <span class="k">elif</span> <span class="s">&#39;SASD&#39;</span> <span class="ow">in</span> <span class="n">plottype</span><span class="p">:</span>
                     <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">sqPlot</span><span class="p">:</span>
@@ -1508 +1656 @@
                     <span class="n">Ymax</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">DY</span><span class="p">)</span>
                     <span class="n">DZ</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">3</span><span class="p">]</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">xye</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span>
-                    <span class="n">DS</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">]</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">xye</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">G2frame</span><span class="o">.</span><span class="n">delOffset</span>
+                    <span class="n">DS</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">5</span><span class="p">]</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">xye</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span><span class="o">-</span><span class="n">Ymax</span><span class="o">*</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;delOffset&#39;</span><span class="p">]</span>
                     <span class="n">ObsLine</span> <span class="o">=</span> <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">X</span><span class="p">,</span><span class="n">DY</span><span class="p">,</span><span class="n">colors</span><span class="p">[</span><span class="n">N</span><span class="o">%</span><span class="mi">6</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;+&#39;</span><span class="p">,</span><span class="n">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">,</span><span class="n">clip_on</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>         <span class="c">#Io/sig(Io)</span>
                     <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">X</span><span class="p">,</span><span class="n">DZ</span><span class="p">,</span><span class="n">colors</span><span class="p">[(</span><span class="n">N</span><span class="o">+</span><span class="mi">1</span><span class="p">)</span><span class="o">%</span><span class="mi">6</span><span class="p">],</span><span class="n">picker</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>                    <span class="c">#Ic/sig(Io)</span>
@@ -1538 +1686 @@
                     <span class="n">data</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;Peak List&#39;</span><span class="p">))</span>
                     <span class="k">for</span> <span class="n">item</span> <span class="ow">in</span> <span class="n">data</span><span class="p">[</span><span class="s">&#39;peaks&#39;</span><span class="p">]:</span>
-                        <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>
+                        <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>
                             <span class="n">Lines</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">item</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="n">colors</span><span class="p">[</span><span class="n">N</span><span class="o">%</span><span class="mi">6</span><span class="p">],</span><span class="n">picker</span><span class="o">=</span><span class="mf">2.</span><span class="p">))</span>
-                        <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
+                        <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
                             <span class="n">Lines</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">item</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="n">colors</span><span class="p">[</span><span class="n">N</span><span class="o">%</span><span class="mi">6</span><span class="p">],</span><span class="n">picker</span><span class="o">=</span><span class="mf">2.</span><span class="p">))</span>
                         <span class="k">else</span><span class="p">:</span>
@@ -1567 +1715 @@
         <span class="n">Parms</span><span class="p">,</span><span class="n">Parms2</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;Instrument Parameters&#39;</span><span class="p">))</span>
         <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">PickId</span><span class="p">)</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Index Peak List&#39;</span><span class="p">,</span><span class="s">&#39;Unit Cells List&#39;</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">array</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">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;Index Peak List&#39;</span><span class="p">))))[</span><span class="mi">0</span><span class="p">]</span>
-            <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">peaks</span><span class="p">:</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>
-                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</span><span class="p">)</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
-                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</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">array</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">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;Index Peak List&#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">peaks</span><span class="p">):</span> <span class="k">return</span> <span class="c"># are there any peaks?</span>
+            <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">peaks</span><span class="p">[</span><span class="mi">0</span><span class="p">]:</span>
+                <span class="k">if</span> <span class="n">peak</span><span class="p">[</span><span class="mi">2</span><span class="p">]:</span>
+                    <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>
+                        <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</span><span class="p">)</span>
+                    <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
+                        <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</span><span class="p">)</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</span><span class="p">)</span>
+            <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span>
+                <span class="n">clr</span> <span class="o">=</span> <span class="s">&#39;r&#39;</span>
+                <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">hkl</span><span class="p">)</span> <span class="o">&gt;</span> <span class="mi">6</span> <span class="ow">and</span> <span class="n">hkl</span><span class="p">[</span><span class="mi">3</span><span class="p">]:</span>
+                    <span class="n">clr</span> <span class="o">=</span> <span class="s">&#39;g&#39;</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>
+                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="n">clr</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
+                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="n">clr</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">peak</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;b&#39;</span><span class="p">)</span>
-            <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>
-                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="mf">2.</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="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">5</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;r&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
-                    <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">G2lat</span><span class="o">.</span><span class="n">Pos2dsp</span><span class="p">(</span><span class="n">Parms</span><span class="p">,</span><span class="n">hkl</span><span class="p">[</span><span class="mi">5</span><span class="p">]),</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;r&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">hkl</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;r&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">hkl</span><span class="p">[</span><span class="o">-</span><span class="mi">2</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="n">clr</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">PickId</span><span class="p">)</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;Reflection Lists&#39;</span><span class="p">]</span> <span class="ow">or</span> \
             <span class="s">&#39;PWDR&#39;</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">PatternTree</span><span class="o">.</span><span class="n">GetItemText</span><span class="p">(</span><span class="n">PickId</span><span class="p">):</span>
@@ -1593 +1746 @@
                 <span class="k">if</span> <span class="ow">not</span> <span class="nb">len</span><span class="p">(</span><span class="n">peaks</span><span class="p">):</span>
                     <span class="k">continue</span>
-                <span class="n">peak</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">peak</span><span class="p">[</span><span class="mi">4</span><span class="p">],</span><span class="n">peak</span><span class="p">[</span><span class="mi">5</span><span class="p">]]</span> <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">peaks</span><span class="p">])</span>
-                <span class="n">pos</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">refOffset</span><span class="o">-</span><span class="n">pId</span><span class="o">*</span><span class="n">Ymax</span><span class="o">*</span><span class="n">G2frame</span><span class="o">.</span><span class="n">refDelt</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">ones_like</span><span class="p">(</span><span class="n">peak</span><span class="p">)</span>
-                <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">qPlot</span><span class="p">:</span>
+                <span class="k">if</span> <span class="n">Phases</span><span class="p">[</span><span class="n">phase</span><span class="p">]</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">&#39;Super&#39;</span><span class="p">,</span><span class="bp">False</span><span class="p">):</span>
+                    <span class="n">peak</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">peak</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span><span class="n">peak</span><span class="p">[</span><span class="mi">6</span><span class="p">]]</span> <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">peaks</span><span class="p">])</span>
+                <span class="k">else</span><span class="p">:</span>
+                    <span class="n">peak</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">peak</span><span class="p">[</span><span class="mi">4</span><span class="p">],</span><span class="n">peak</span><span class="p">[</span><span class="mi">5</span><span class="p">]]</span> <span class="k">for</span> <span class="n">peak</span> <span class="ow">in</span> <span class="n">peaks</span><span class="p">])</span>
+                <span class="n">pos</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refOffset&#39;</span><span class="p">]</span><span class="o">-</span><span class="n">pId</span><span class="o">*</span><span class="n">Ymax</span><span class="o">*</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;refDelt&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">np</span><span class="o">.</span><span class="n">ones_like</span><span class="p">(</span><span class="n">peak</span><span class="p">)</span>
+                <span class="k">if</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;qPlot&#39;</span><span class="p">]:</span>
                     <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="mi">2</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="n">peak</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">pos</span><span class="p">,</span><span class="n">refColors</span><span class="p">[</span><span class="n">pId</span><span class="o">%</span><span class="mi">6</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;|&#39;</span><span class="p">,</span><span class="n">mew</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span><span class="n">ms</span><span class="o">=</span><span class="mi">8</span><span class="p">,</span><span class="n">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">phase</span><span class="p">)</span>
-                <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">dPlot</span><span class="p">:</span>
+                <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;dPlot&#39;</span><span class="p">]:</span>
                     <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">peak</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">pos</span><span class="p">,</span><span class="n">refColors</span><span class="p">[</span><span class="n">pId</span><span class="o">%</span><span class="mi">6</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;|&#39;</span><span class="p">,</span><span class="n">mew</span><span class="o">=</span><span class="mi">1</span><span class="p">,</span><span class="n">ms</span><span class="o">=</span><span class="mi">8</span><span class="p">,</span><span class="n">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">phase</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
@@ -1704 +1860 @@
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</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="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span><span class="o">*</span><span class="mf">1.2</span><span class="p">)</span>
-            <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">100.</span><span class="p">:</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
+            <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">&lt;</span> <span class="mf">100.</span><span class="p">:</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;d&#39;</span><span class="p">:</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="mf">0.0</span><span class="p">,</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Cmax</span><span class="o">*</span><span class="mf">0.8</span><span class="p">)</span>
-            <span class="k">elif</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">&gt;</span> <span class="mf">0.</span><span class="p">:</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
+            <span class="k">elif</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">&gt;</span> <span class="mf">0.</span><span class="p">:</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;l&#39;</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">-=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;r&#39;</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
+            <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span> <span class="o">+=</span> <span class="mf">1.</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;o&#39;</span><span class="p">:</span>
-            <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</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="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#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="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;c&#39;</span><span class="p">:</span>
             <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">True</span>
@@ -1722 +1878 @@
             <span class="k">if</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
                 <span class="n">G2frame</span><span class="o">.</span><span class="n">SinglePlot</span> <span class="o">=</span> <span class="bp">False</span>
-                <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span>
+                <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="p">[</span><span class="mf">0.</span><span class="p">,</span><span class="mf">0.</span><span class="p">]</span>
         <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;s&#39;</span><span class="p">:</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
@@ -1836 +1992 @@
     <span class="n">lenX</span> <span class="o">=</span> <span class="mi">0</span>
     <span class="k">for</span> <span class="n">Pattern</span> <span class="ow">in</span> <span class="n">PlotList</span><span class="p">:</span>
-        <span class="n">xye</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
+        <span class="k">try</span><span class="p">:</span>
+            <span class="n">xye</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
+        <span class="k">except</span> <span class="ne">IndexError</span><span class="p">:</span>
+            <span class="k">return</span>
         <span class="n">Ymax</span> <span class="o">=</span> <span class="nb">max</span><span class="p">(</span><span class="n">Ymax</span><span class="p">,</span><span class="nb">max</span><span class="p">(</span><span class="n">xye</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
-    <span class="n">offset</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
+    <span class="n">offset</span> <span class="o">=</span> <span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span><span class="o">*</span><span class="n">Ymax</span><span class="o">/</span><span class="mf">100.0</span>
     <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">Contour</span><span class="p">:</span>
         <span class="n">ContourZ</span> <span class="o">=</span> <span class="p">[]</span>
@@ -1859 +2018 @@
                 <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">&#39;Data sequence&#39;</span><span class="p">,</span><span class="n">fontsize</span><span class="o">=</span><span class="mi">12</span><span class="p">)</span>
         <span class="k">else</span><span class="p">:</span>
-            <span class="n">X</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="n">G2frame</span><span class="o">.</span><span class="n">Offset</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">*.</span><span class="mo">005</span><span class="o">*</span><span class="n">N</span>
+            <span class="n">X</span> <span class="o">=</span> <span class="n">xye</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="n">Pattern</span><span class="p">[</span><span class="mi">0</span><span class="p">][</span><span class="s">&#39;Offset&#39;</span><span class="p">][</span><span class="mi">1</span><span class="p">]</span><span class="o">*.</span><span class="mo">005</span><span class="o">*</span><span class="n">N</span>
             <span class="k">if</span> <span class="n">ifpicked</span><span class="p">:</span>
                 <span class="n">Plot</span><span class="o">.</span><span class="n">plot</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">colors</span><span class="p">[</span><span class="n">N</span><span class="o">%</span><span class="mi">6</span><span class="p">]</span><span class="o">+</span><span class="s">&#39;+&#39;</span><span class="p">,</span><span class="n">picker</span><span class="o">=</span><span class="mf">3.</span><span class="p">,</span><span class="n">clip_on</span><span class="o">=</span><span class="bp">False</span><span class="p">)</span>
@@ -2176 +2335 @@
                     <span class="n">view</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">toolbar</span><span class="o">.</span><span class="n">_views</span><span class="o">.</span><span class="n">forward</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="n">wid</span> <span class="o">=</span> <span class="n">view</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">view</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
-                    <span class="n">found</span> <span class="o">=</span> <span class="n">HKL</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">fabs</span><span class="p">(</span><span class="n">HKL</span><span class="o">.</span><span class="n">T</span><span class="p">[</span><span class="mi">5</span><span class="p">]</span><span class="o">-</span><span class="n">xpos</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mf">0.002</span><span class="o">*</span><span class="n">wid</span><span class="p">)]</span>
+                    <span class="n">found</span> <span class="o">=</span> <span class="n">HKL</span><span class="p">[</span><span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">fabs</span><span class="p">(</span><span class="n">HKL</span><span class="o">.</span><span class="n">T</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">xpos</span><span class="p">)</span> <span class="o">&lt;</span> <span class="mf">0.002</span><span class="o">*</span><span class="n">wid</span><span class="p">)]</span>
                 <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">found</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">found</span><span class="p">[</span><span class="mi">0</span><span class="p">][:</span><span class="mi">3</span><span class="p">]</span> 
@@ -2205 +2364 @@
     <span class="n">HKL</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">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">)</span>
     <span class="k">for</span> <span class="n">hkl</span> <span class="ow">in</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">HKL</span><span class="p">:</span>
-        <span class="n">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">hkl</span><span class="p">[</span><span class="mi">5</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;r&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">Plot</span><span class="o">.</span><span class="n">axvline</span><span class="p">(</span><span class="n">hkl</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">],</span><span class="n">color</span><span class="o">=</span><span class="s">&#39;r&#39;</span><span class="p">,</span><span class="n">dashes</span><span class="o">=</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">xmin</span> <span class="o">=</span> <span class="n">peaks</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">xmax</span> <span class="o">=</span> <span class="n">peaks</span><span class="p">[</span><span class="o">-</span><span class="mi">1</span><span class="p">][</span><span class="mi">0</span><span class="p">]</span>
@@ -2681 +2840 @@
 
 <span class="c">################################################################################</span>
+<span class="c">##### Plot Modulation</span>
+<span class="c">################################################################################</span>
+</div>
+<span class="k">def</span> <span class="nf">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">off</span><span class="o">=</span><span class="mi">0</span><span class="p">):</span>
+    <span class="k">global</span> <span class="n">Off</span><span class="p">,</span><span class="n">Atom</span><span class="p">,</span><span class="n">Ax</span>
+    <span class="n">Off</span> <span class="o">=</span> <span class="n">off</span>
+    <span class="n">Atom</span> <span class="o">=</span> <span class="n">atom</span>
+    <span class="n">Ax</span> <span class="o">=</span> <span class="n">ax</span>
+    <span class="k">def</span> <span class="nf">OnMotion</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+        <span class="n">xpos</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">xdata</span>
+        <span class="k">if</span> <span class="n">xpos</span><span class="p">:</span>                                        <span class="c">#avoid out of frame mouse position</span>
+            <span class="n">ypos</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">ydata</span>
+            <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetCursor</span><span class="p">(</span><span class="n">wx</span><span class="o">.</span><span class="n">CROSS_CURSOR</span><span class="p">)</span>
+            <span class="k">try</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">status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;t =</span><span class="si">%9.3f</span><span class="s"> </span><span class="si">%s</span><span class="s"> =</span><span class="si">%9.3f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">xpos</span><span class="p">,</span><span class="n">GkDelta</span><span class="o">+</span><span class="n">Ax</span><span class="p">,</span><span class="n">ypos</span><span class="p">),</span><span class="mi">1</span><span class="p">)</span>                   
+            <span class="k">except</span> <span class="ne">TypeError</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">status</span><span class="o">.</span><span class="n">SetStatusText</span><span class="p">(</span><span class="s">&#39;Select &#39;</span><span class="o">+</span><span class="n">Title</span><span class="o">+</span><span class="s">&#39; pattern first&#39;</span><span class="p">,</span><span class="mi">1</span><span class="p">)</span>
+    
+    <span class="k">def</span> <span class="nf">OnPlotKeyPress</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
+        <span class="k">global</span> <span class="n">Off</span><span class="p">,</span><span class="n">Atom</span><span class="p">,</span><span class="n">Ax</span>
+        <span class="n">newPlot</span> <span class="o">=</span> <span class="bp">False</span>
+        <span class="k">if</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;0&#39;</span><span class="p">:</span>
+            <span class="n">Off</span> <span class="o">=</span> <span class="mi">0</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="ow">in</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">Off</span> <span class="o">+=</span> <span class="mi">1</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;-&#39;</span><span class="p">:</span>
+            <span class="n">Off</span> <span class="o">-=</span> <span class="mi">1</span>
+        <span class="k">elif</span> <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;l&#39;</span><span class="p">,</span><span class="s">&#39;r&#39;</span><span class="p">,]</span> <span class="ow">and</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]:</span>
+            <span class="n">roll</span> <span class="o">=</span> <span class="mi">1</span>
+            <span class="k">if</span>  <span class="n">event</span><span class="o">.</span><span class="n">key</span> <span class="o">==</span> <span class="s">&#39;l&#39;</span><span class="p">:</span>
+                <span class="n">roll</span> <span class="o">=</span> <span class="o">-</span><span class="mi">1</span>
+            <span class="n">rho</span> <span class="o">=</span> <span class="n">Map</span><span class="p">[</span><span class="s">&#39;rho&#39;</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="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">rho</span><span class="p">,</span><span class="n">roll</span><span class="p">,</span><span class="n">axis</span><span class="o">=</span><span class="mi">3</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">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">Off</span><span class="p">)</span>
+
+    <span class="k">try</span><span class="p">:</span>
+        <span class="n">plotNum</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">plotList</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;Modulation&#39;</span><span class="p">)</span>
+        <span class="n">Page</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">nb</span><span class="o">.</span><span class="n">GetPage</span><span class="p">(</span><span class="n">plotNum</span><span class="p">)</span>
+        <span class="n">Page</span><span class="o">.</span><span class="n">figure</span><span class="o">.</span><span class="n">clf</span><span class="p">()</span>
+        <span class="n">Plot</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">figure</span><span class="o">.</span><span class="n">gca</span><span class="p">()</span>
+        <span class="k">if</span> <span class="ow">not</span> <span class="n">Page</span><span class="o">.</span><span class="n">IsShown</span><span class="p">():</span>
+            <span class="n">Page</span><span class="o">.</span><span class="n">Show</span><span class="p">()</span>
+    <span class="k">except</span> <span class="ne">ValueError</span><span class="p">:</span>
+        <span class="n">Plot</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">addMpl</span><span class="p">(</span><span class="s">&#39;Modulation&#39;</span><span class="p">)</span><span class="o">.</span><span class="n">gca</span><span class="p">()</span>
+        <span class="n">plotNum</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">plotList</span><span class="o">.</span><span class="n">index</span><span class="p">(</span><span class="s">&#39;Modulation&#39;</span><span class="p">)</span>
+        <span class="n">Page</span> <span class="o">=</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">G2plotNB</span><span class="o">.</span><span class="n">nb</span><span class="o">.</span><span class="n">GetPage</span><span class="p">(</span><span class="n">plotNum</span><span class="p">)</span>
+        <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">mpl_connect</span><span class="p">(</span><span class="s">&#39;motion_notify_event&#39;</span><span class="p">,</span> <span class="n">OnMotion</span><span class="p">)</span>
+        <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">mpl_connect</span><span class="p">(</span><span class="s">&#39;key_press_event&#39;</span><span class="p">,</span> <span class="n">OnPlotKeyPress</span><span class="p">)</span>
+    
+    <span class="n">Page</span><span class="o">.</span><span class="n">SetFocus</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">mapData</span> <span class="o">=</span> <span class="n">General</span><span class="p">[</span><span class="s">&#39;Map&#39;</span><span class="p">]</span>
+    <span class="k">if</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]:</span>
+        <span class="n">Page</span><span class="o">.</span><span class="n">Choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;+: shift up&#39;</span><span class="p">,</span><span class="s">&#39;-: shift down&#39;</span><span class="p">,</span><span class="s">&#39;0: reset shift&#39;</span><span class="p">,</span><span class="s">&#39;l: move left&#39;</span><span class="p">,</span><span class="s">&#39;r: move right&#39;</span><span class="p">]</span>
+    <span class="k">else</span><span class="p">:</span>
+        <span class="n">Page</span><span class="o">.</span><span class="n">Choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39;+: shift up&#39;</span><span class="p">,</span><span class="s">&#39;-: shift down&#39;</span><span class="p">,</span><span class="s">&#39;0: reset shift&#39;</span><span class="p">]</span>
+    <span class="n">Page</span><span class="o">.</span><span class="n">keyPress</span> <span class="o">=</span> <span class="n">OnPlotKeyPress</span>
+    <span class="n">Map</span> <span class="o">=</span> <span class="n">General</span><span class="p">[</span><span class="s">&#39;4DmapData&#39;</span><span class="p">]</span>
+    <span class="n">MapType</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">rhoSize</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">Map</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
+    <span class="n">atxyz</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">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">waveType</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="s">&#39;SS1&#39;</span><span class="p">][</span><span class="s">&#39;waveType&#39;</span><span class="p">]</span>
+    <span class="n">Spos</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="s">&#39;SS1&#39;</span><span class="p">][</span><span class="s">&#39;Spos&#39;</span><span class="p">]</span>
+    <span class="n">tau</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">linspace</span><span class="p">(</span><span class="mf">0.</span><span class="p">,</span><span class="mf">2.</span><span class="p">,</span><span class="mi">101</span><span class="p">)</span>
+    <span class="n">wave</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">zeros</span><span class="p">((</span><span class="mi">3</span><span class="p">,</span><span class="mi">101</span><span class="p">))</span>
+    <span class="k">if</span> <span class="nb">len</span><span class="p">(</span><span class="n">Spos</span><span class="p">):</span>
+        <span class="n">scof</span> <span class="o">=</span> <span class="p">[]</span>
+        <span class="n">ccof</span> <span class="o">=</span> <span class="p">[]</span>
+        <span class="k">for</span> <span class="n">i</span><span class="p">,</span><span class="n">spos</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">Spos</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;Sawtooth&#39;</span><span class="p">,</span><span class="s">&#39;ZigZag&#39;</span><span class="p">]</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">i</span><span class="p">:</span>
+                <span class="n">Toff</span> <span class="o">=</span> <span class="n">spos</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">slopes</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">spos</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="n">waveType</span> <span class="o">==</span> <span class="s">&#39;Sawtooth&#39;</span><span class="p">:</span>
+                    <span class="n">wave</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">posSawtooth</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">Toff</span><span class="p">,</span><span class="n">slopes</span><span class="p">)</span>
+                <span class="k">elif</span> <span class="n">waveType</span> <span class="o">==</span> <span class="s">&#39;ZigZag&#39;</span><span class="p">:</span>
+                    <span class="n">wave</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">posZigZag</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">Toff</span><span class="p">,</span><span class="n">slopes</span><span class="p">)</span>
+            <span class="k">else</span><span class="p">:</span>
+                <span class="n">scof</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">spos</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="n">ccof</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">spos</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="n">wave</span> <span class="o">+=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">posFourier</span><span class="p">(</span><span class="n">tau</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">scof</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">ccof</span><span class="p">))</span>
+    <span class="k">if</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;Flip&#39;</span><span class="p">]:</span>
+        <span class="n">Title</span> <span class="o">=</span> <span class="s">&#39;Charge flip&#39;</span>
+    <span class="k">else</span><span class="p">:</span>
+        <span class="n">Title</span> <span class="o">=</span> <span class="n">MapType</span>
+    <span class="n">Title</span> <span class="o">+=</span> <span class="s">&#39; map 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; at </span><span class="si">%.4f</span><span class="s"> </span><span class="si">%.4f</span><span class="s"> </span><span class="si">%.4f</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">atxyz</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">atxyz</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span><span class="n">atxyz</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span>
+    <span class="n">ix</span> <span class="o">=</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">np</span><span class="o">.</span><span class="n">rint</span><span class="p">(</span><span class="n">rhoSize</span><span class="p">[:</span><span class="mi">3</span><span class="p">]</span><span class="o">*</span><span class="n">atxyz</span><span class="p">),</span><span class="n">dtype</span><span class="o">=</span><span class="s">&#39;i&#39;</span><span class="p">)</span>
+    <span class="n">ix</span> <span class="o">+=</span> <span class="p">(</span><span class="n">rhoSize</span><span class="p">[:</span><span class="mi">3</span><span class="p">]</span><span class="o">/</span><span class="mi">2</span><span class="p">)</span>
+    <span class="n">ix</span> <span class="o">=</span> <span class="n">ix</span><span class="o">%</span><span class="n">rhoSize</span><span class="p">[:</span><span class="mi">3</span><span class="p">]</span>
+    <span class="n">rho</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</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">ix</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">),</span><span class="n">ix</span><span class="p">[</span><span class="mi">1</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">ix</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">2</span><span class="p">)</span>
+    <span class="n">ix</span> <span class="o">=</span> <span class="n">rhoSize</span><span class="p">[:</span><span class="mi">3</span><span class="p">]</span><span class="o">/</span><span class="mi">2</span>
+    <span class="n">ib</span> <span class="o">=</span> <span class="mi">4</span>
+    <span class="k">if</span> <span class="n">Ax</span> <span class="o">==</span> <span class="s">&#39;x&#39;</span><span class="p">:</span>
+        <span class="n">slab</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">rho</span><span class="p">[:,</span><span class="n">ix</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="n">ib</span><span class="p">,</span><span class="n">ix</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">+</span><span class="n">ib</span><span class="p">,:],</span><span class="n">axis</span><span class="o">=</span><span class="mi">2</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">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">tau</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="k">elif</span> <span class="n">Ax</span> <span class="o">==</span> <span class="s">&#39;y&#39;</span><span class="p">:</span>
+        <span class="n">slab</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">rho</span><span class="p">[</span><span class="n">ix</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="n">ib</span><span class="p">,:,</span><span class="n">ix</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span><span class="o">+</span><span class="n">ib</span><span class="p">,:],</span><span class="n">axis</span><span class="o">=</span><span class="mi">2</span><span class="p">),</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
+        <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">wave</span><span class="p">[</span><span class="mi">1</span><span class="p">])</span>
+    <span class="k">elif</span> <span class="n">Ax</span> <span class="o">==</span> <span class="s">&#39;z&#39;</span><span class="p">:</span>
+        <span class="n">slab</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">sum</span><span class="p">(</span><span class="n">rho</span><span class="p">[</span><span class="n">ix</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">+</span><span class="n">ib</span><span class="p">,</span><span class="n">ix</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">ib</span><span class="p">:</span><span class="n">ix</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">+</span><span class="n">ib</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">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">)</span>
+        <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">tau</span><span class="p">,</span><span class="n">wave</span><span class="p">[</span><span class="mi">2</span><span class="p">])</span>
+    <span class="n">Plot</span><span class="o">.</span><span class="n">set_title</span><span class="p">(</span><span class="n">Title</span><span class="p">)</span>
+    <span class="n">Plot</span><span class="o">.</span><span class="n">set_xlabel</span><span class="p">(</span><span class="s">&#39;t&#39;</span><span class="p">)</span>
+    <span class="n">Plot</span><span class="o">.</span><span class="n">set_ylabel</span><span class="p">(</span><span class="s">r&#39;$\mathsf{\Delta}$</span><span class="si">%s</span><span class="s">&#39;</span><span class="o">%</span><span class="p">(</span><span class="n">Ax</span><span class="p">))</span>
+    <span class="n">Slab</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">hstack</span><span class="p">((</span><span class="n">slab</span><span class="p">,</span><span class="n">slab</span><span class="p">,</span><span class="n">slab</span><span class="p">))</span>
+    <span class="n">Plot</span><span class="o">.</span><span class="n">contour</span><span class="p">(</span><span class="n">Slab</span><span class="p">[:,:</span><span class="mi">21</span><span class="p">],</span><span class="mi">20</span><span class="p">,</span><span class="n">extent</span><span class="o">=</span><span class="p">(</span><span class="mf">0.</span><span class="p">,</span><span class="mf">2.</span><span class="p">,</span><span class="o">-.</span><span class="mi">5</span><span class="o">+</span><span class="n">Off</span><span class="o">*.</span><span class="mo">005</span><span class="p">,</span><span class="o">.</span><span class="mi">5</span><span class="o">+</span><span class="n">Off</span><span class="o">*.</span><span class="mo">005</span><span class="p">))</span>
+    <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">draw</span><span class="p">()</span>
+   
+<span class="c">################################################################################</span>
 <span class="c">##### PlotCovariance</span>
 <span class="c">################################################################################</span>
-            </div>
+            
 <div class="viewcode-block" id="PlotCovariance"><a class="viewcode-back" href="../GSASIIplot.html#GSASIIplot.PlotCovariance">[docs]</a><span class="k">def</span> <span class="nf">PlotCovariance</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="s">&#39;needs a doc string&#39;</span>
@@ -2989 +3258 @@
         <span class="k">for</span> <span class="n">col</span> <span class="ow">in</span> <span class="n">Page</span><span class="o">.</span><span class="n">seqYaxisList</span><span class="p">:</span>
             <span class="n">name</span><span class="p">,</span><span class="n">Y</span><span class="p">,</span><span class="n">sig</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">seqTableGet</span><span class="p">(</span><span class="n">col</span><span class="p">)</span>
-            <span class="k">if</span> <span class="n">sig</span><span class="p">:</span>
+            <span class="c"># deal with missing (None) values</span>
+            <span class="n">Xnew</span> <span class="o">=</span> <span class="p">[]</span>
+            <span class="n">Ynew</span> <span class="o">=</span> <span class="p">[]</span>
+            <span class="n">Ysnew</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">X</span><span class="p">)):</span>
+                <span class="k">if</span> <span class="n">X</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="ow">is</span> <span class="bp">None</span> <span class="ow">or</span> <span class="n">Y</span><span class="p">[</span><span class="n">i</span><span class="p">]</span> <span class="ow">is</span> <span class="bp">None</span><span class="p">:</span> <span class="k">continue</span>
+                <span class="n">Xnew</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">X</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
+                <span class="n">Ynew</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">Y</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
+                <span class="k">if</span> <span class="n">sig</span><span class="p">:</span> <span class="n">Ysnew</span><span class="o">.</span><span class="n">append</span><span class="p">(</span><span class="n">sig</span><span class="p">[</span><span class="n">i</span><span class="p">])</span>
+            <span class="k">if</span> <span class="n">Ysnew</span><span class="p">:</span>
                 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqReverse</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqXaxis</span><span class="p">:</span>
-                    <span class="n">Y</span> <span class="o">=</span> <span class="n">Y</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
-                    <span class="n">sig</span> <span class="o">=</span> <span class="n">sig</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
-                <span class="n">Plot</span><span class="o">.</span><span class="n">errorbar</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">yerr</span><span class="o">=</span><span class="n">sig</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">)</span>
+                    <span class="n">Ynew</span> <span class="o">=</span> <span class="n">Ynew</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                    <span class="n">Ysnew</span> <span class="o">=</span> <span class="n">Ysnew</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">Plot</span><span class="o">.</span><span class="n">errorbar</span><span class="p">(</span><span class="n">Xnew</span><span class="p">,</span><span class="n">Ynew</span><span class="p">,</span><span class="n">yerr</span><span class="o">=</span><span class="n">Ysnew</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">)</span>
             <span class="k">else</span><span class="p">:</span>
                 <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqReverse</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqXaxis</span><span class="p">:</span>
-                    <span class="n">Y</span> <span class="o">=</span> <span class="n">Y</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
-                <span class="n">Plot</span><span class="o">.</span><span class="n">plot</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">Plot</span><span class="o">.</span><span class="n">plot</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="s">&#39;o&#39;</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">)</span>
-        <span class="k">if</span> <span class="n">Page</span><span class="o">.</span><span class="n">fitvals</span><span class="p">:</span>
+                    <span class="n">Ynew</span> <span class="o">=</span> <span class="n">Ynew</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
+                <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">Xnew</span><span class="p">,</span><span class="n">Ynew</span><span class="p">)</span>
+                <span class="n">Plot</span><span class="o">.</span><span class="n">plot</span><span class="p">(</span><span class="n">Xnew</span><span class="p">,</span><span class="n">Ynew</span><span class="p">,</span><span class="s">&#39;o&#39;</span><span class="p">,</span><span class="n">label</span><span class="o">=</span><span class="n">name</span><span class="p">)</span>
+        <span class="k">if</span> <span class="n">Page</span><span class="o">.</span><span class="n">fitvals</span><span class="p">:</span> <span class="c"># TODO: deal with fitting of None values</span>
             <span class="k">if</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqReverse</span> <span class="ow">and</span> <span class="ow">not</span> <span class="n">G2frame</span><span class="o">.</span><span class="n">seqXaxis</span><span class="p">:</span>
                 <span class="n">Page</span><span class="o">.</span><span class="n">fitvals</span> <span class="o">=</span> <span class="n">Page</span><span class="o">.</span><span class="n">fitvals</span><span class="p">[::</span><span class="o">-</span><span class="mi">1</span><span class="p">]</span>
@@ -3356 +3634 @@
                     <span class="n">newPos</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="nb">float</span><span class="p">(</span><span class="n">newPos</span><span class="p">[</span><span class="mi">0</span><span class="p">]),</span><span class="nb">float</span><span class="p">(</span><span class="n">newPos</span><span class="p">[</span><span class="mi">1</span><span class="p">])])</span>
                     <span class="k">for</span> <span class="n">spot</span> <span class="ow">in</span> <span class="n">spots</span><span class="p">:</span>
-                        <span class="k">if</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</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">spot</span><span class="p">[:</span><span class="mi">2</span><span class="p">]]),</span><span class="n">newPos</span><span class="p">):</span>
+                        <span class="k">if</span> <span class="n">spot</span> <span class="ow">and</span> <span class="n">np</span><span class="o">.</span><span class="n">allclose</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">spot</span><span class="p">[:</span><span class="mi">2</span><span class="p">]]),</span><span class="n">newPos</span><span class="p">):</span>
                             <span class="n">spot</span><span class="p">[:</span><span class="mi">2</span><span class="p">]</span> <span class="o">=</span> <span class="n">Xpos</span><span class="p">,</span><span class="n">Ypos</span>
                     <span class="n">G2imG</span><span class="o">.</span><span class="n">UpdateMasks</span><span class="p">(</span><span class="n">G2frame</span><span class="p">,</span><span class="n">Masks</span><span class="p">)</span>
@@ -3826 +4104 @@
     <span class="n">B4mat</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">np</span><span class="o">.</span><span class="n">concatenate</span><span class="p">((</span><span class="n">Bmat</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">axis</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="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="n">axis</span><span class="o">=</span><span class="mi">0</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="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">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">Mydir</span> <span class="o">=</span> <span class="n">generalData</span><span class="p">[</span><span class="s">&#39;Mydir&#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>
@@ -3880 +4160 @@
     <span class="k">if</span> <span class="s">&#39;Flip&#39;</span> <span class="ow">in</span> <span class="n">generalData</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">flipData</span><span class="p">[</span><span class="s">&#39;mapRoll&#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">0</span><span class="p">]</span>
     <span class="n">Wt</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="mi">255</span><span class="p">,</span><span class="mi">255</span><span class="p">,</span><span class="mi">255</span><span class="p">])</span>
     <span class="n">Rd</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="mi">255</span><span class="p">,</span><span class="mi">0</span><span class="p">,</span><span class="mi">0</span><span class="p">])</span>
@@ -3897 +4176 @@
     <span class="n">mapPeakVecs</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">mV</span><span class="p">,</span><span class="n">Bmat</span><span class="p">)</span>
 
-    <span class="n">uColors</span> <span class="o">=</span> <span class="p">[</span><span class="n">Rd</span><span class="p">,</span><span class="n">Gr</span><span class="p">,</span><span class="n">Bl</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span> <span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span> <span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">,</span><span class="n">Wt</span><span class="p">]</span>
+    <span class="n">backColor</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="nb">list</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#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="n">Bc</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="nb">list</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#39;</span><span class="p">]))</span>
+    <span class="n">uColors</span> <span class="o">=</span> <span class="p">[</span><span class="n">Rd</span><span class="p">,</span><span class="n">Gr</span><span class="p">,</span><span class="n">Bl</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span> <span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span> <span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">,</span><span class="n">Wt</span><span class="o">-</span><span class="n">Bc</span><span class="p">]</span>
     <span class="n">altDown</span> <span class="o">=</span> <span class="bp">False</span>
     <span class="n">shiftDown</span> <span class="o">=</span> <span class="bp">False</span>
     <span class="n">ctrlDown</span> <span class="o">=</span> <span class="bp">False</span>
+    <span class="n">G2frame</span><span class="o">.</span><span class="n">tau</span> <span class="o">=</span> <span class="mf">0.</span>
     
     <span class="k">def</span> <span class="nf">OnKeyBox</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>
-<span class="c">#        Draw()                          #make sure plot is fresh!!</span>
         <span class="n">mode</span> <span class="o">=</span> <span class="n">cb</span><span class="o">.</span><span class="n">GetValue</span><span class="p">()</span>
         <span class="k">if</span> <span class="n">mode</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;jpeg&#39;</span><span class="p">,</span><span class="s">&#39;bmp&#39;</span><span class="p">,</span><span class="s">&#39;tiff&#39;</span><span class="p">,]:</span>
@@ -3919 +4200 @@
             <span class="k">if</span> <span class="n">mode</span> <span class="ow">in</span> <span class="p">[</span><span class="s">&#39;jpeg&#39;</span><span class="p">,]:</span>
                 <span class="n">Pix</span> <span class="o">=</span> <span class="n">glReadPixels</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">size</span><span class="p">[</span><span class="mi">0</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="n">GL_RGBA</span><span class="p">,</span> <span class="n">GL_UNSIGNED_BYTE</span><span class="p">)</span>
-                <span class="n">im</span> <span class="o">=</span> <span class="n">Image</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGBA&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
+                <span class="n">im</span> <span class="o">=</span> <span class="n">Im</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGBA&quot;</span><span class="p">,</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="n">size</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="n">Pix</span> <span class="o">=</span> <span class="n">glReadPixels</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">size</span><span class="p">[</span><span class="mi">0</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="n">GL_RGB</span><span class="p">,</span> <span class="n">GL_UNSIGNED_BYTE</span><span class="p">)</span>
-                <span class="n">im</span> <span class="o">=</span> <span class="n">Image</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGB&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
+                <span class="n">im</span> <span class="o">=</span> <span class="n">Im</span><span class="o">.</span><span class="n">new</span><span class="p">(</span><span class="s">&quot;RGB&quot;</span><span class="p">,</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="n">size</span><span class="p">[</span><span class="mi">1</span><span class="p">]))</span>
             <span class="n">im</span><span class="o">.</span><span class="n">fromstring</span><span class="p">(</span><span class="n">Pix</span><span class="p">)</span>
             <span class="n">im</span><span class="o">.</span><span class="n">save</span><span class="p">(</span><span class="n">Fname</span><span class="p">,</span><span class="n">mode</span><span class="p">)</span>
@@ -3934 +4215 @@
 
     <span class="k">def</span> <span class="nf">OnKey</span><span class="p">(</span><span class="n">event</span><span class="p">):</span>           <span class="c">#on key UP!!</span>
-<span class="c">#        Draw()                          #make sure plot is fresh!!</span>
         <span class="k">try</span><span class="p">:</span>
             <span class="n">keyCode</span> <span class="o">=</span> <span class="n">event</span><span class="o">.</span><span class="n">GetKeyCode</span><span class="p">()</span>
@@ -4004 +4284 @@
             <span class="n">dirDict</span> <span class="o">=</span> <span class="p">{</span><span class="s">&#39;U&#39;</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="s">&#39;D&#39;</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="s">&#39;L&#39;</span><span class="p">:[</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="s">&#39;R&#39;</span><span class="p">:[</span><span class="mi">1</span><span class="p">,</span><span class="mi">0</span><span class="p">]}</span>
             <span class="n">SetMapRoll</span><span class="p">(</span><span class="n">dirDict</span><span class="p">[</span><span class="n">key</span><span class="p">])</span>
+            <span class="k">if</span> <span class="s">&#39;rho&#39;</span> <span class="ow">in</span> <span class="n">generalData</span><span class="o">.</span><span class="n">get</span><span class="p">(</span><span class="s">&#39;4DmapData&#39;</span><span class="p">,{}):</span>
+                <span class="n">Set4DMapRoll</span><span class="p">(</span><span class="n">dirDict</span><span class="p">[</span><span class="n">key</span><span class="p">])</span>
             <span class="n">SetPeakRoll</span><span class="p">(</span><span class="n">dirDict</span><span class="p">[</span><span class="n">key</span><span class="p">])</span>
             <span class="n">SetMapPeaksText</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">)</span>
+        <span class="k">elif</span> <span class="n">key</span> <span class="ow">in</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="s">&#39;=&#39;</span><span class="p">,</span><span class="s">&#39;0&#39;</span><span class="p">]</span> <span class="ow">and</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="n">key</span> <span class="o">==</span> <span class="s">&#39;0&#39;</span><span class="p">:</span>
+                <span class="n">G2frame</span><span class="o">.</span><span class="n">tau</span> <span class="o">=</span> <span class="mf">0.</span>
+            <span class="k">elif</span> <span class="n">key</span> <span class="ow">in</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">G2frame</span><span class="o">.</span><span class="n">tau</span> <span class="o">+=</span> <span class="mf">0.05</span>
+            <span class="k">elif</span> <span class="n">key</span> <span class="o">==</span> <span class="s">&#39;-&#39;</span><span class="p">:</span>
+                <span class="n">G2frame</span><span class="o">.</span><span class="n">tau</span> <span class="o">-=</span> <span class="mf">0.05</span>
+            <span class="n">G2frame</span><span class="o">.</span><span class="n">tau</span> <span class="o">%=</span> <span class="mf">1.</span>   <span class="c">#force 0-1 range</span>
         <span class="n">Draw</span><span class="p">(</span><span class="s">&#39;key&#39;</span><span class="p">)</span>
             
@@ -4196 +4486 @@
         <span class="n">glLightfv</span><span class="p">(</span><span class="n">GL_LIGHT0</span><span class="p">,</span><span class="n">GL_DIFFUSE</span><span class="p">,[</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="mi">1</span><span class="p">])</span>
         
-    <span class="k">def</span> <span class="nf">GetRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">,</span><span class="n">rho</span><span class="p">):</span>
+    <span class="k">def</span> <span class="nf">GetRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">,</span><span class="n">rhoshape</span><span class="p">):</span>
         <span class="n">Q</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;Quaternion&#39;</span><span class="p">]</span>
         <span class="n">dxy</span> <span class="o">=</span> <span class="n">G2mth</span><span class="o">.</span><span class="n">prodQVQ</span><span class="p">(</span><span class="n">G2mth</span><span class="o">.</span><span class="n">invQ</span><span class="p">(</span><span class="n">Q</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">Bmat</span><span class="p">,</span><span class="n">newxy</span><span class="o">+</span><span class="p">[</span><span class="mi">0</span><span class="p">,]))</span>
-        <span class="n">dxy</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">dxy</span><span class="o">*</span><span class="n">rho</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>        
+        <span class="n">dxy</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">dxy</span><span class="o">*</span><span class="n">rhoshape</span><span class="p">)</span>        
         <span class="n">roll</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">dxy</span><span class="o">&gt;</span><span class="mf">0.5</span><span class="p">,</span><span class="mi">1</span><span class="p">,</span><span class="n">np</span><span class="o">.</span><span class="n">where</span><span class="p">(</span><span class="n">dxy</span><span class="o">&lt;-.</span><span class="mi">5</span><span class="p">,</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="k">return</span> <span class="n">roll</span>
@@ -4205 +4495 @@
     <span class="k">def</span> <span class="nf">SetMapRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">):</span>
         <span class="n">rho</span> <span class="o">=</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]</span>
-        <span class="n">roll</span> <span class="o">=</span> <span class="n">GetRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">,</span><span class="n">rho</span><span class="p">)</span>
+        <span class="n">roll</span> <span class="o">=</span> <span class="n">GetRoll</span><span class="p">(</span><span class="n">newxy</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="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">rho</span><span class="p">,</span><span class="n">roll</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">),</span><span class="n">roll</span><span class="p">[</span><span class="mi">1</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">roll</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">2</span><span class="p">)</span>
         <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;oldxy&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="nb">list</span><span class="p">(</span><span class="n">newxy</span><span class="p">)</span>
         
+    <span class="k">def</span> <span class="nf">Set4DMapRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">):</span>
+        <span class="n">rho</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="s">&#39;rho&#39;</span><span class="p">]</span>
+        <span class="n">roll</span> <span class="o">=</span> <span class="n">GetRoll</span><span class="p">(</span><span class="n">newxy</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="mi">3</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="s">&#39;rho&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">roll</span><span class="p">(</span><span class="n">rho</span><span class="p">,</span><span class="n">roll</span><span class="p">[</span><span class="mi">0</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">0</span><span class="p">),</span><span class="n">roll</span><span class="p">[</span><span class="mi">1</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">roll</span><span class="p">[</span><span class="mi">2</span><span class="p">],</span><span class="n">axis</span><span class="o">=</span><span class="mi">2</span><span class="p">)</span>
+        
     <span class="k">def</span> <span class="nf">SetPeakRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">):</span>
         <span class="n">rho</span> <span class="o">=</span> <span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rho&#39;</span><span class="p">]</span>
-        <span class="n">roll</span> <span class="o">=</span> <span class="n">GetRoll</span><span class="p">(</span><span class="n">newxy</span><span class="p">,</span><span class="n">rho</span><span class="p">)</span>
+        <span class="n">roll</span> <span class="o">=</span> <span class="n">GetRoll</span><span class="p">(</span><span class="n">newxy</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="n">steps</span> <span class="o">=</span> <span class="mf">1.</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">rho</span><span class="o">.</span><span class="n">shape</span><span class="p">)</span>
         <span class="n">dxy</span> <span class="o">=</span> <span class="n">roll</span><span class="o">*</span><span class="n">steps</span>
@@ -4561 +4856 @@
             <span class="n">VP</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">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</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="o">.</span><span class="mi">5</span><span class="p">,</span><span class="o">.</span><span class="mi">5</span><span class="p">,</span><span class="o">.</span><span class="mi">5</span><span class="p">])</span>
             <span class="n">contLevel</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;contourLevel&#39;</span><span class="p">]</span><span class="o">*</span><span class="n">mapData</span><span class="p">[</span><span class="s">&#39;rhoMax&#39;</span><span class="p">]</span>
-            <span class="k">if</span> <span class="s">&#39;delt-F&#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="k">if</span> <span class="s">&#39;delt-F&#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="ow">or</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="n">rho</span> <span class="o">=</span> <span class="n">ma</span><span class="o">.</span><span class="n">array</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">mask</span><span class="o">=</span><span class="p">(</span><span class="n">np</span><span class="o">.</span><span class="n">abs</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="o">&lt;</span><span class="n">contLevel</span><span class="p">))</span>
             <span class="k">else</span><span class="p">:</span>
@@ -4718 +5013 @@
             <span class="n">XYZ</span> <span class="o">=</span> <span class="n">mapPeaks</span><span class="o">.</span><span class="n">T</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="o">.</span><span class="n">T</span>
             <span class="n">mapBonds</span> <span class="o">=</span> <span class="n">FindPeaksBonds</span><span class="p">(</span><span class="n">XYZ</span><span class="p">)</span>
-            <span class="k">for</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="p">]</span> <span class="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">):</span>
+            <span class="k">for</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="ow">in</span> <span class="nb">enumerate</span><span class="p">(</span><span class="n">mapPeaks</span><span class="p">[:,:</span><span class="mi">4</span><span class="p">]):</span>
                 <span class="k">if</span> <span class="n">ind</span> <span class="ow">in</span> <span class="n">Ind</span> <span class="ow">and</span> <span class="n">pageName</span> <span class="o">==</span> <span class="s">&#39;Map peaks&#39;</span><span class="p">:</span>
                     <span class="n">RenderMapPeak</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">Gr</span><span class="p">,</span><span class="mf">1.0</span><span class="p">)</span>
                 <span class="k">else</span><span class="p">:</span>
-                    <span class="n">RenderMapPeak</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">Wt</span><span class="p">,</span><span class="n">mag</span><span class="o">/</span><span class="n">peakMax</span><span class="p">)</span>
+                    <span class="k">if</span> <span class="n">mag</span> <span class="o">&gt;</span> <span class="mf">0.</span><span class="p">:</span>
+                        <span class="n">RenderMapPeak</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">Wt</span><span class="p">,</span><span class="n">mag</span><span class="o">/</span><span class="n">peakMax</span><span class="p">)</span>
+                    <span class="k">else</span><span class="p">:</span>
+                        <span class="n">RenderMapPeak</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">Rd</span><span class="p">,</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="k">if</span> <span class="n">showBonds</span><span class="p">:</span>
                     <span class="n">RenderLines</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">mapBonds</span><span class="p">[</span><span class="n">ind</span><span class="p">],</span><span class="n">Wt</span><span class="p">)</span>
@@ -4777 +5075 @@
     <span class="k">else</span><span class="p">:</span>
         <span class="n">choice</span> <span class="o">=</span> <span class="p">[</span><span class="s">&#39; save as/key:&#39;</span><span class="p">,</span><span class="s">&#39;jpeg&#39;</span><span class="p">,</span><span class="s">&#39;tiff&#39;</span><span class="p">,</span><span class="s">&#39;bmp&#39;</span><span class="p">,</span><span class="s">&#39;c: center on 1/2,1/2,1/2&#39;</span><span class="p">,</span><span class="s">&#39;n: next&#39;</span><span class="p">,</span><span class="s">&#39;p: previous&#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="ow">and</span> <span class="nb">len</span><span class="p">(</span><span class="n">drawAtoms</span><span class="p">):</span>
+        <span class="n">choice</span> <span class="o">+=</span> <span class="p">[</span><span class="s">&#39;+: increase tau&#39;</span><span class="p">,</span><span class="s">&#39;-: decrease tau&#39;</span><span class="p">,</span><span class="s">&#39;0: set tau = 0&#39;</span><span class="p">]</span>
+
     <span class="n">cb</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">G2plotNB</span><span class="o">.</span><span class="n">status</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="o">|</span><span class="n">wx</span><span class="o">.</span><span class="n">CB_READONLY</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">cb</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">OnKeyBox</span><span class="p">)</span>
@@ -4790 +5091 @@
     <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;position&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;cameraPos&#39;</span><span class="p">]</span>
     <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">]</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">Amat</span><span class="p">,</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;viewPoint&#39;</span><span class="p">][</span><span class="mi">0</span><span class="p">])</span>
-    <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;backColor&#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="nb">list</span><span class="p">(</span><span class="n">drawingData</span><span class="p">[</span><span class="s">&#39;backColor&#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="o">/</span><span class="mf">255.</span>
+    <span class="n">Page</span><span class="o">.</span><span class="n">camera</span><span class="p">[</span><span class="s">&#39;backColor&#39;</span><span class="p">]</span> <span class="o">=</span> <span class="n">backColor</span><span class="o">/</span><span class="mf">255.</span>
     <span class="k">try</span><span class="p">:</span>
         <span class="n">Page</span><span class="o">.</span><span class="n">canvas</span><span class="o">.</span><span class="n">SetCurrent</span><span class="p">()</span>