Changeset 5243 for trunk

Timestamp:

Mar 22, 2022 10:35:21 AM (3 years ago)

Author:

vondreele

Message:

fix crash in GetTruePosition? if getSelection() = 0
add missing delete option for chiral center restraint
updates to help/gsasII-phase.html

Location:

trunk

Files:

• GSASIIplot.py (modified) (2 diffs)
• GSASIIrestrGUI.py (modified) (1 diff)
• help/gsasII-phase.html (modified) (144 diffs)

trunk/GSASIIplot.py ¶

@@ -9126 +9126 @@
         if Add:
             Indx = GetSelectedAtoms()
+        if not getSelection():  #wrong place for doing this
+            return
         if G2frame.phaseDisplay.GetPageText(getSelection()) == 'Map peaks':
             peakList = data['Map Peaks']
@@ -9142 +9144 @@
                         SetSelectedAtoms(i,Add)
                         G2frame.G2plotNB.status.SetStatusText(
-                         '    Selected peak: {:.3f} @ ({:.3f},{:.3f},{:.3f})'
-                            .format(*peak[0:4]),1)
+                            '    Selected peak: {:.3f} @ ({:.3f},{:.3f},{:.3f})'.format(*peak[0:4]),1)
             return
         elif G2frame.phaseDisplay.GetPageText(getSelection()) == 'Draw Atoms':

trunk/GSASIIrestrGUI.py ¶

@@ -1462 +1462 @@
                 else:
                     Volumes.Bind(wg.EVT_GRID_CELL_CHANGE, OnCellChange)
-                for i in (G2G.wxID_RESRCHANGEVAL,G2G.wxID_RESTCHANGEESD):
+                for i in (G2G.wxID_RESTDELETE,G2G.wxID_RESRCHANGEVAL,G2G.wxID_RESTCHANGEESD):
                     G2frame.dataWindow.RestraintEdit.Enable(id=i,enable=True)
                 G2frame.Bind(wx.EVT_MENU, OnChangeValue, id=G2G.wxID_RESRCHANGEVAL)
                 G2frame.Bind(wx.EVT_MENU, OnChangeEsd, id=G2G.wxID_RESTCHANGEESD)
+                G2frame.Bind(wx.EVT_MENU, OnDeleteRestraint, id=G2G.wxID_RESTDELETE)
                 mainSizer.Add(wx.StaticText(ChiralRestr,-1,
                     'Chiral volume restraints: sum(wt*(delt/sig)^2) =    %.2f, mean(wt*(delt/sig)^2) =    %.2f'    \

trunk/help/gsasII-phase.html ¶

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
-  <o:Revision>31</o:Revision>
-  <o:TotalTime>5325</o:TotalTime>
+  <o:Revision>34</o:Revision>
+  <o:TotalTime>6559</o:TotalTime>
   <o:Created>2021-06-20T02:30:00Z</o:Created>
-  <o:LastSaved>2021-06-22T22:15:00Z</o:LastSaved>
+  <o:LastSaved>2022-03-22T15:32:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
-  <o:Words>8400</o:Words>
-  <o:Characters>47880</o:Characters>
+  <o:Words>9185</o:Words>
+  <o:Characters>52357</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>399</o:Lines>
-  <o:Paragraphs>112</o:Paragraphs>
-  <o:CharactersWithSpaces>56168</o:CharactersWithSpaces>
+  <o:Lines>436</o:Lines>
+  <o:Paragraphs>122</o:Paragraphs>
+  <o:CharactersWithSpaces>61420</o:CharactersWithSpaces>
   <o:Version>16.00</o:Version>
  </o:DocumentProperties>
@@ -42 +42 @@
  </o:OfficeDocumentSettings>
 </xml><![endif]-->
-<link rel=dataStoreItem href="gsasII-phase_files/item0058.xml"
-target="gsasII-phase_files/props059.xml">
+<link rel=dataStoreItem href="gsasII-phase_files/item0054.xml"
+target="gsasII-phase_files/props055.xml">
 <link rel=themeData href="gsasII-phase_files/themedata.thmx">
 <link rel=colorSchemeMapping href="gsasII-phase_files/colorschememapping.xml">
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
-  <w:Zoom>188</w:Zoom>
-  <w:SpellingState>Clean</w:SpellingState>
-  <w:GrammarState>Clean</w:GrammarState>
+  <w:Zoom>148</w:Zoom>
   <w:TrackMoves>false</w:TrackMoves>
   <w:TrackFormatting/>
@@ -1308 +1306 @@
         font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";}
-span.SpellE
-        {mso-style-name:"";
-        mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1545 +1537 @@
         text-indent:-.25in;}
 @list l4
-        {mso-list-id:885795814;
-        mso-list-type:hybrid;
-        mso-list-template-ids:-1253415012 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
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-        text-indent:-.25in;
-        font-family:Symbol;}
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-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:.75in;
-        text-indent:-.25in;
-        font-family:"Courier New";}
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-        mso-level-number-position:left;
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-        mso-level-number-position:left;
-        margin-left:4.25in;
-        text-indent:-.25in;
-        font-family:Wingdings;}
+        {mso-list-id:627862681;
+        mso-list-template-ids:-747337128;}
 @list l5
         {mso-list-id:919948450;
@@ -1798 +1717 @@
         text-indent:-.25in;}
 @list l9
-        {mso-list-id:1902254926;
-        mso-list-template-ids:1270895724;}
+        {mso-list-id:2114591880;
+        mso-list-template-ids:-445226636;}
 @list l9:level1
-        {mso-level-tab-stop:.5in;
+        {mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
 @list l9:level2
-        {mso-level-tab-stop:1.0in;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
@@ -1813 +1733 @@
         text-indent:-.25in;}
 @list l9:level4
-        {mso-level-tab-stop:2.0in;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
@@ -1833 +1754 @@
         text-indent:-.25in;}
 @list l9:level9
-        {mso-level-tab-stop:4.5in;
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-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
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-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
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         mso-level-number-position:left;
@@ -1953 +1833 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-is where to find help on the Phase Tree items in GSAS-II. Note that the window displayed
-for this page has multiple tabs. The help information is broken down by tab
-section. <o:p></o:p></span></p>
+is where to find help on the Phase Tree items in GSAS-II. Note that the window
+displayed for this page has multiple tabs. The help information is broken down
+by tab section. <o:p></o:p></span></p>
 
 <h2 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -1978 +1858 @@
 the unit cell parameters and overall parameters for the atom present in the
 phase. It also has the controls for Pawley intensity extraction and for
-computing Fourier maps for this phase. It can also be used to compute new
-structures based on the unit cell and atom positions. <span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+computing Fourier maps for this phase. It can also has the controls for Monte
+Carlo/Simulated Annealing for solving structures with flexible rigid molecular bodies..
+<span class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></span></p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -2008 +1889 @@
 map. Peaks that are above ‘Peak cutoff’ % of the maximum will be found in this
 procedure; they will be printed on the console and will be shown in the ‘<a
-href="#Phase-Map_peaks">Map peaks</a>’ page. This page will immediately be <span
-class=GramE>shown</span> and the peaks will be shown on the structure drawing
-for this phase as white 3-D crosses.<b><o:p></o:p></b></span></p>
+href="#Phase-Map_peaks">Map peaks</a>’ page. This page will immediately be
+shown, and the peaks will be shown on the structure drawing for this phase as
+white 3-D crosses.<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2019 +1900 @@
 style='mso-fareast-font-family:"Times New Roman"'>This performs a charge
 flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure solution
-using the method of <span class=SpellE>Oszlanyi</span> &amp; <span
-class=SpellE>Suto</span> (Acta <span class=SpellE>Cryst</span>. A60, 134-141,
-2004). You will need to select a source for the reflection set and perhaps
-select an element for normalization by its form factor, a resolution limit
-(usually 0.5A) and a charge flip threshold (usually 0.1); these are found at
-the bottom of the <b style='mso-bidi-font-weight:normal'>General</b> window. A
+using the method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141, 2004). You
+will need to select a source for the reflection set and perhaps select an
+element for normalization by its form factor, a resolution limit (usually 0.5</span><span
+style='font-family:"Calibri",sans-serif;mso-fareast-font-family:"Times New Roman"'>Å</span><span
+style='mso-fareast-font-family:"Times New Roman"'>) and a charge flip threshold
+(usually 0.1); these are found near the bottom of the <b style='mso-bidi-font-weight:
+normal'>General</b> window. There are also Test HKLs to show the progress in
+phasing with charge flipping cycles. They show the generally chaotic phase
+behavior before a solution is found; after that the phases are essentially
+fixed. No use is made of this information; it is just for your edification. A
 progress bar showing the charge flip residual is shown while the charge flip is
 in operation. When the residual is no longer decreasing (be patient – it
 doesn’t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
-normal'>Cancel</b> button to stop the charge flipping. The resulting map will
-be positioned to properly place symmetry operators (<span class=GramE>NB:</span>
-depends on the quality of the resulting phases), searched for peaks and the
-display shifts to <b style='mso-bidi-font-weight:normal'>Map peaks</b> to show
-them.<b><o:p></o:p></b></span></p>
+normal'>Cancel</b> button to stop the charge flipping, otherwise it will stop
+at 10000 cycles. The resulting map will be positioned to properly place
+symmetry operators (NB: depends on the quality of the resulting phases; the map
+could be still offset by a few steps), searched for peaks and the display
+shifts to <b style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2039 +1924 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
 style='mso-fareast-font-family:"Times New Roman"'>4D Charge flipping – </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>Charge flipping is done for a
-modulated structure.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>4-Dimensional<b> </b>charge
+flipping is done for a modulated structure.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2057 +1942 @@
 style='mso-fareast-font-family:"Times New Roman"'> – Perform Monte
 Carlo/Simulated Annealing structure solution using the model as set up in the
-MC/SA tab.<o:p></o:p></span></p>
+MC/SA tab and the controls at the bottom of this tab.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2084 +1969 @@
 </span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Compare
 – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Compares
-idealized <span class=SpellE>polyhedra</span> (tetrahedron &amp; octahedron) to
-those obtained from a Reverse Monte Carlo run.<b><o:p></o:p></b></span></p>
+idealized polyhedra (tetrahedron &amp; octahedron) to those obtained from a
+Reverse Monte Carlo run in RMCProfile.<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2105 +1990 @@
 style='mso-fareast-font-family:"Times New Roman"'>Protein quality</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – evaluate protein quality
-by python versions of <span class=SpellE>errat</span> &amp; errat2 codes by <span
-class=SpellE>Colovos</span>, C. &amp; <span class=SpellE>Yeates</span>, T.O. Protein
-Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
+by python versions of errat &amp; errat2 codes by Colovos, C. &amp; Yeates,
+T.O. Protein Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -2153 +2037 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – this should be set when
-the phase is initialized; it can be changed later. Be careful about the impact
-on Atom site symmetry and multiplicity if you do. GSAS-II will recognize any
-legal space group symbol using the short Hermann-<span class=SpellE>Mauguin</span>
-forms; put a space between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’; ‘F d 3
-m’ is understood as well as ‘F d -3 m’). For space groups with a choice of
-origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where the
-center of inversion is located at the origin. The choice of space group will
-set the available unit cell parameters.<span class=MsoHyperlink><span
-style='color:windowtext'><o:p></o:p></span></span></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> – this should be set when the
+phase is initialized; it can be changed later. Be careful about the impact on
+Atom site symmetry and multiplicity if you do. GSAS-II will recognize any legal
+space group symbol using the short Hermann-Mauguin forms; put a space between
+the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’; ‘F d 3 m’ is understood as well as
+‘F d -3 m’). For space groups with a choice of origin (e.g. F d 3 m), GSAS-II
+always uses the 2<sup>nd</sup> setting where the center of inversion is located
+at the origin. The choice of space group will set the available unit cell
+parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2290 +2173 @@
 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
-"Times New Roman"'>If there are entries in the Atoms <span class=GramE>page</span>
-then the Elements table is shown next on the General page; you may select the
-isotope (only relevant for neutron diffraction experiments). The density (just
-above the Elements) is computed depending on this choice, the unit cell volume
-and the atom fractions/site multiplicities in the entries on the Atoms page.<span
+"Times New Roman"'>If there are entries in the Atoms tab, then the Elements
+table is shown next on the General page; you may select the isotope (only
+relevant for neutron diffraction experiments). The density (just above the
+Elements) is computed depending on this choice, the unit cell volume and the
+atom fractions/site multiplicities in the entries on the Atoms page.<span
 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
@@ -2323 +2206 @@
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmin</span></span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – This is the minimum
-d-spacing to be used in a Pawley refinement. <b style='mso-bidi-font-weight:
-normal'>NB:</b> be sure to set this to match the minimum d-spacing indicated by
-the powder pattern limits (see <b style='mso-bidi-font-weight:normal'>Limits</b>
-for the powder data set).<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley
+dmin</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – This
+is the minimum d-spacing to be used in a Pawley refinement. <b
+style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this to match the
+minimum d-spacing indicated by the powder pattern limits (see <b
+style='mso-bidi-font-weight:normal'>Limits</b> for the powder data set).<u><o:p></o:p></u></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2339 +2220 @@
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pawley dmax</span></b><span
+style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
+This is the maximum d-spacing for reflections in a Pawley refinement. It is
+usually defined by the beginning of the data collection scan and will thus
+remove reflections that have too large d-spacing to be seen in the scan.</span><span
+class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext'><o:p></o:p></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
@@ -2377 +2272 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Reflection sets </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is the source of
-structure factors to be used in a charge flip calculation. These may be either
-a single crystal data set, or structure factors extracted from a powder pattern
-via a Pawley refinement or a Rietveld refinement.<span class=MsoHyperlink><span
+style='mso-fareast-font-family:"Times New Roman"'>– This is the source of structure
+factors to be used in a charge flip calculation. These may be either a single
+crystal data set, or structure factors extracted from a powder pattern via a
+Pawley or LeBail refinement or a Rietveld refinement.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
@@ -2390 +2285 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is an element form
-factor chosen to normalize the structure factors before charge flipping. <b
+style='mso-fareast-font-family:"Times New Roman"'>– This is an element form factor
+chosen to normalize the structure factors before charge flipping. <b
 style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
 the lower right of the Periodic Table display shown when this is selected.<span
@@ -2404 +2299 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Map grid step </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is the step size of the
-charge flip map; default is 0.25A. The set of reflections is expanded to a full
-sphere and zero filled to this 2X this value; this suite of reflections is then
-used for charge flipping.<span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>– This is the step size of
+the charge flip map; default is 0.25</span><span style='font-family:"Calibri",sans-serif;
+mso-fareast-font-family:"Times New Roman"'>Å</span><span style='mso-fareast-font-family:
+"Times New Roman"'>. The set of reflections is expanded to a full sphere and
+zero filled to 2X this value; this suite of reflections is then used for charge
+flipping.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2426 +2323 @@
 on the density map; all densities above this are charge flipped. In this way
 the “uranium solution” problem is avoided. Use k-Max = 10-12 for equal atom
-problems and larger for heavy atom ones (2X largest atom number).<o:p></o:p></span></p>
+problems and larger for heavy atom ones (typically 2X largest atom number).<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2435 +2332 @@
 style='mso-fareast-font-family:"Times New Roman"'>Test HKLs</span></b><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
-plot of phases for selected <span class=SpellE>hkls</span> are shown at end of
-charge flipping run.</span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+plot of phases for selected hkls are shown at end of charge flipping run. Just
+for you to look at.</span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
@@ -2453 +2350 @@
 This is the source of structure factors to be used in a charge flip
 calculation. These may be either a single crystal data set, or structure
-factors extracted from a powder pattern via a Pawley refinement or a Rietveld
-refinement.<o:p></o:p></span></p>
+factors extracted from a powder pattern via a Pawley or Lebail refinement or a
+Rietveld refinement.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2462 +2359 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>d-min
 </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- This
-restricts the set of reflections to be used in the MC/SA run. Suggest no lower
-than 2.0.</span></p>
+restricts the set of reflections to be used in the MC/SA run. Suggest using no
+lower than 2.0.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2518 +2415 @@
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>An important transformation
-may be needed in certain cases when space groups that two alternate origin
+may be needed in certain cases for space groups that have two alternate origin
 settings (<a
 href="https://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#GSASIIspc.spg2origins">listed
@@ -2526 +2423 @@
 a center of symmetry (creating a -x,-y,-z symmetry operator, which means that
 reflection phases can only be 0 or π.) GSAS-II requires use of the Origin 2
-settings because computations are much faster and simpler without complex
-structure factors. Alas, the literature contains a number of structures
-reported in Origin 1, where the origin choice may not be clearly communicated.
-(The CIF standard does not require that origin choice be indicated.) When a
-structure is imported that uses any of the space groups where an origin choice
-is possible, a message is shown in GSAS-II notifying the user that they must
-confirm that the origin choice is correct. <o:p></o:p></span></p>
+settings because computations are much faster and simpler without complex structure
+factors. Alas, the literature contains a number of structures reported in
+Origin 1, where the origin choice may not be clearly communicated. (The CIF
+standard does not require that origin choice be indicated.) When a structure is
+imported that uses any of the space groups where an origin choice is possible,
+a message is shown in GSAS-II notifying the user that they must confirm that
+the origin choice is correct and then provides the opportunity to change
+origins. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
 style='mso-fareast-font-family:"Times New Roman"'>Example:</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> An example of what can go wrong
-is illustrated with the structure of anatase. The space group is <i>I</i> 4<sub>1</sub>/<i>a
-m d</i>. In Origin 1 the coordinates are: <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> An example of what can go
+wrong is illustrated with the structure of anatase. The space group is <i>I</i>
+4<sub>1</sub>/<i>a m d</i>. In Origin 1 the coordinates are: <o:p></o:p></span></p>
 
 <table class=MsoNormalTable border=0 cellpadding=0 style='mso-cellspacing:1.5pt;
@@ -2560 +2458 @@
  <tr style='mso-yfti-irow:2'>
   <td style='padding:.75pt .75pt .75pt .75pt'>
-  <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
-  "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
   </td>
   <td style='padding:.75pt .75pt .75pt .75pt'>
@@ -2614 +2511 @@
  <tr style='mso-yfti-irow:2'>
   <td style='padding:.75pt .75pt .75pt .75pt'>
-  <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
-  "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
   </td>
   <td style='padding:.75pt .75pt .75pt .75pt'>
@@ -2645 +2541 @@
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman";color:white;mso-color-alt:
-windowtext'>where the origin is shifted by (0,0.</span><span class=GramE><span
-style='mso-fareast-font-family:"Times New Roman"'>25,-</span></span><span
-style='mso-fareast-font-family:"Times New Roman"'>0.125). <o:p></o:p></span></p>
+windowtext'>where the origin is shifted by (0,</span><span style='mso-fareast-font-family:
+"Times New Roman"'>1/4,-1/8). <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
@@ -2663 +2558 @@
 </v:shape><![endif]--><![if !vml]><img width=322 height=190
 src="gsasII_files/wrong.png" align=right v:shapes="Picture_x0020_3"><![endif]><span
-style='mso-fareast-font-family:"Times New Roman"'>Since GSAS-II always the symmetry
-operators for Origin 2, if structure is input incorrectly with the coordinates
-set for Origin 1, there are several fairly obvious signs of problems: (1) the
-site symmetries and multiplicities are wrong, often giving an incorrect
-chemical formula, (2) the interatomic distances are incorrect, and (3) a plot
-of the structure is improbable. In this case incorrect multiplicities gives
-rise to a density of 7.9 g/cc, double the correct value. Impossible interatomic
-distances of 1.88Å for <span class=SpellE>Ti-Ti</span>, and 1.39Å for <span
-class=SpellE>Ti</span>-O are seen. The unit cell contents with the wrong space
-group operators is shown to the right. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>GSAS-II always uses the
+symmetry operators for Origin 2; if the structure is input incorrectly with the
+coordinates set for Origin 1, there are several fairly obvious signs of
+problems: (1) the site symmetries and multiplicities are wrong, often giving an
+incorrect chemical formula, (2) the interatomic distances are incorrect, and
+(3) a plot of the structure is improbable. In this case incorrect
+multiplicities gives rise to a density of 7.9 g/cc, double the correct value.
+Impossible interatomic distances of 1.88Å for Ti-Ti, and 1.39Å for Ti-O are
+seen. The unit cell contents with the wrong space group operators is shown to
+the right. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>With coordinates that match
-the space group operations, the correct <span class=SpellE>Ti</span>-O
-distances are 1.92Å and 1.97Å and the shortest <span class=SpellE>Ti-Ti</span>
-distance is 3.0Å. (Note that interatomic distances can be computed in GSAS-II
-using the Phase Atoms tab and the Compute/&quot;Show Distances &amp;
-Angles&quot; menu item.) <o:p></o:p></span></p>
+the space group operations, the correct Ti-O distances are 1.92Å and 1.97Å and
+the shortest Ti-Ti distance is 3.0Å. (Note that interatomic distances can be
+computed in GSAS-II using the Phase Atoms tab and the Compute/&quot;Show
+Distances &amp; Angles&quot; menu item.) <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
@@ -2697 +2591 @@
 src="gsasII_files/xform.png" align=right v:shapes="Picture_x0020_4"><![endif]><b><span
 style='mso-fareast-font-family:"Times New Roman"'>Transform Origin:</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> To transform a space group
-setting from Origin setting 1 to 2, use the Transform option in the Compute menu
-and then select the last option in the &quot;Common transformations&quot;
-pulldown menu, which will be setting 1-&gt;2 for space groups where both
-origins are available, as shown to the right. The transformation matrix will be
-set to the identity and the &quot;V&quot; vector will have the required origin
-shift loaded. Press OK. The changes can be seen by selecting the Atoms tab. </span></p>
+style='mso-fareast-font-family:"Times New Roman"'> To transform a space group setting
+from Origin setting 1 to 2, use the Transform option in the Compute menu and
+then select the last option in the &quot;Common transformations&quot; pulldown
+menu, which will be setting 1-&gt;2 for space groups where both origins are
+available, as shown to the right. The transformation matrix will be set to the
+identity and the &quot;V&quot; vector will have the required origin shift
+loaded. Press OK. The changes can be seen by selecting the Atoms tab. </span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -2714 +2608 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
-tab serves several purposes. It is used to link histograms to the selected <span
-class=GramE>phase</span> and it allows the values and refinement flags to be
-set for the parameters that are defined for each histogram-phase pair, labeled
-as HAP parameters. [Note that some GSAS-II parameters are defined for each
-phase (atomic positions, for example), other parameters are defined for each
+tab serves several purposes. It is used to link histograms to the selected
+phase, and it allows the values and refinement flags to be set for the
+parameters that are defined for each histogram-phase pair, labeled as HAP
+parameters. [Note that some GSAS-II parameters are defined for each phase
+(atomic positions, for example), other parameters are defined for each
 histogram (scale factors and instrumental constants, for example) but the HAP
 parameters have values for each histogram in each phase.] It can also be used
@@ -2724 +2618 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
-HAP parameters include: the phase fraction; the sample contribution to peak
-broadening: <span class=SpellE>microstrain</span> and crystallite size; a
-LeBail intensity extraction flag; hydrostatic/elastic strain shifts to lattice
-parameters; corrections to peak intensities due to experimental effects
-(preferred orientation, extinction and disordered solvents).</p>
+HAP parameters include: the phase fraction; the sample contributions to peak
+broadening: microstrain and crystallite size; a LeBail intensity extraction
+flag; hydrostatic/elastic strain shifts to lattice parameters; corrections to
+peak intensities due to experimental effects (preferred orientation, extinction
+and disordered solvents).</p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>For
@@ -2746 +2640 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>LeBail extraction </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>Start LeBail extraction </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>When this is selected,
-intensities are set to values that are <span class=GramE>best-fit</span> using
-the LeBail intensity determination method rather than are computed from the
-atomic information for the phase. Cycling this setting will reset LeBail
-extracted intensities to their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
+intensities are set to values that are best fit using the LeBail intensity
+determination method rather than are computed from the atomic information for
+the phase. Cycling this setting will reset LeBail extracted intensities to
+their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2761 +2655 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>used in powder histograms: a
+style='mso-fareast-font-family:"Times New Roman"'>Used in powder histograms: a
 multiplier that determines the relative amount of the selected phase to a
-histogram. Note that when the histogram scale factor is varied, these values
-are on a relative scale. Conventional practice is to vary the scale factor and
-to not vary the phase fraction for one phase in a histogram. Do not refine the
+histogram. It is proportional the number of unit cells of the phase in the
+sample. Note that when the histogram scale factor is varied, these values are
+on a relative scale. Conventional practice is to vary the scale factor and to
+not vary the phase fraction for one phase in a histogram. Do not refine the
 scale factor and all phase fractions unless a constraint is defined so the
 phase fractions add to 1. <o:p></o:p></span></p>
@@ -2773 +2668 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>used for single crystal <span
-class=GramE>data:</span> relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data:
+relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2782 +2677 @@
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>is computed from size
-factor(s) in microns (10<sup>-6</sup> m), with the Scherrer constant assumed as
-unity. Sizes can be computed in three ways: isotropic, uniaxial and
+factor(s) in microns (μm = 10<sup>-6</sup> m), with the Scherrer constant
+assumed as unity. Sizes can be computed in three ways: isotropic, uniaxial and
 ellipsoidal. In isotropic broadening, crystallites are assumed to average as
 uniform in all directions and a single size value is supplied; with uniaxial
@@ -2791 +2686 @@
 perpendicular plane; with ellipsoidal, six terms are used to define a
 broadening tensor that has arbitrary orientation -- this model may require
-constraints and is seldomly needed. Note that size broadening is usually
-Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
-1.0; if this value is between 0. and 1., both Gaussian and Lorentz size
-broadening is modeled and a value of 0.0 is pure Gaussian. Values less than 0.
-or greater than 1. make no physical sense. <o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>Microstrain</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> peak broadening </span></b><span
+constraints and is seldom needed. Note that size broadening is usually
+Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
+0. and 1., both Gaussian and Lorentz size broadening is modeled and a value of
+0.0 is pure Gaussian. Values less than 0. or greater than 1. make no physical
+sense. Typical sensitivity is to no more than 4 μm; beyond that the particles
+are effectively infinite for a diffraction experiment.<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Microstrain peak broadening </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>is computed as unitless
-fraction of <span class=SpellE>Δd</span>/d (or equivalently ΔQ/Q) times 10<sup>6</sup>.
-<span class=SpellE>Microstrain</span> can be computed in three ways: isotropic,
-uniaxial and generalized. In isotropic broadening, <span class=SpellE>microstrain</span>
-broadening assumed to be the same in all crystallographic directions and a
-single value is supplied; with uniaxial broadening, a preferred direction (as a
-crystallographic axis, such as 0,0,1) is supplied -- note that for most crystal
-systems only one axis makes sense -- and two <span class=SpellE>microstrain</span>
-parameters are defined, one for along the axis and one for in the perpendicular
-plane; with generalized, the Nicole Popa/Peter Stephens second-order expansion
-model is used and the number of terms will depend on the crystal system. It is
-typically possible to refine all terms when significant anisotropic strain
-broadening is present. Note that <span class=SpellE>microstrain</span>
-broadening is usually Lorentzian, which corresponds to a <span class=SpellE>LGmix</span>
-value of 1.0; if this value is between 0. and 1., both Gaussian and Lorentz
-broadening is modeled and a value of 0.0 is pure Gaussian. Values less than 0.
-or greater than 1. make no physical sense. <o:p></o:p></span></p>
+fraction of Δd/d (or equivalently ΔQ/Q) times 10<sup>6</sup>. Microstrain can
+be represented in three ways: isotropic, uniaxial and generalized. In isotropic
+broadening, microstrain broadening assumed to be the same in all
+crystallographic directions and a single value is supplied; with uniaxial
+broadening, a preferred direction (as a crystallographic axis, such as 0,0,1)
+is supplied -- note that for most crystal systems only one axis makes sense --
+and two microstrain parameters are defined, one for along the axis and one for
+in the perpendicular plane; with generalized, the Nicole Popa/Peter Stephens
+second-order expansion model is used and the number of terms will depend on the
+crystal system. It is typically possible to refine all terms when significant
+anisotropic strain broadening is present. Note that microstrain broadening is
+usually Lorentzian, which corresponds to a LGmix value of 1.0; if this value is
+between 0. and 1., both Gaussian and Lorentz broadening is modeled and a value
+of 0.0 is pure Gaussian. Values less than 0. or greater than 1. make no
+physical sense. Typical microstrain is ~1000.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2844 +2738 @@
 ways. Intensity corrections can be added to the model here or a full texture
 model is possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
-tab (which usually requires multiple histograms at different sample or detector
-settings). The approaches available here are March-<span class=SpellE>Dollase</span>,
-which requires a definition of a unique axis (in crystallographic coordinates)
-and the relative amount of excess or depletion of crystallites in that
-direction; or Spherical Harmonics, where the selection of an order determines
-the shape of the probability surface (which is always constrained to match the
-symmetry of the crystal system). <o:p></o:p></span></p>
+tab (which usually requires multiple histograms at different sample orientations
+or detector settings). The approaches available here are March-Dollase, which
+requires a definition of a unique axis (in crystallographic coordinates) and
+the relative amount of excess or depletion of crystallites in that direction;
+or Spherical Harmonics, where the selection of an order determines the shape of
+the probability surface (which is always constrained to match the symmetry of
+the crystal system and the symmetry of the sample; here sample symmetry is
+assumed to be cylindrical). <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2860 +2755 @@
 crystals/crystallites have minimal mosaic character, which results in lowering
 of diffraction intensities for the most intense reflections. This is not
-commonly seen in CW powder <span class=GramE>diffraction, but</span> can be
-more apparent in neutron TOF data. For single crystal data the extinction model
-is more complex allowing for primary and two types of secondary extinction.<o:p></o:p></span></p>
+commonly seen in CW powder diffraction but can be more apparent in neutron TOF
+data. For single crystal data the extinction model is more complex allowing for
+primary and two types of secondary extinction.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – <span
-class=SpellE>Babinet</span> A &amp; B</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'><o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – Babinet
+A &amp; B</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>This correction, using the <span
-class=SpellE>Babinet</span> model, is typically used to treat scattering from
-solvent that is not well-ordered in protein structures. It probably makes no
-sense in most any other application. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>This correction, using the
+Babinet model, is typically used to treat scattering from solvent that is not
+well-ordered in protein structures. It probably makes no sense in most any
+other application. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2887 +2781 @@
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<OL style='margin-left:0.75in'>
-<LI>In this tab, menu items allow
+<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
+margin-left:1.25in;text-indent:-.25in;mso-list:l4 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>In this tab, menu items allow
 copying values or refinement flags to histograms/phases and selection of which
-histograms are used in the current phase. </LI>
-
-<LI>The plot selection items
-allow for three dimensional representations of the <span class=SpellE>microstrain</span>
-or crystallite size distributions (which are spheres for isotropic treatments);
-preferred orientation can be plotted as a Psi scan (a plot of relative
-crystallite abundance for a particular reflection as a function of azimuthal
-angle) or as an inverse pole figure (which shows in a stereographic projection
-the probability distribution for different reciprocal lattice directions for a
-particular sample orientation). <o:p></o:p></span></LI>
-</OL>
+histograms are used in the current phase. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
+margin-left:1.25in;text-indent:-.25in;mso-list:l4 level1 lfo3;tab-stops:list .5in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>The plot selection items
+allow for three dimensional representations of the microstrain or crystallite
+size distributions (which are spheres for isotropic treatments); preferred
+orientation can be plotted as a Psi scan (a plot of relative crystallite
+abundance for a particular reflection as a function of azimuthal angle) or as
+an inverse pole figure (which shows a stereographic projection of the
+probability distribution for different reciprocal lattice directions as viewed
+down the sample cylinder axis). For no texture/preferred orientation this
+figure would be flat = 1.0.<o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -2916 +2817 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Atom
-selection from table </b>- These are controlled by the mouse and the Shift/Ctrl/Alt
-keys. Note that for most purposes (one exception is atom reordering which
-requires an Alt-Left-click on the rows), selection of any cell for an atom will
-work equivalently with selection of the entire row. Upon selection the atoms
-will turn green in the structure drawing:</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+selection from table </b>- These are controlled by the mouse and the
+Shift/Ctrl/Alt keys. Note that for most purposes (one exception is atom
+reordering which requires an Alt-Left-click on the rows), selection of any cell
+for an atom will work equivalently with selection of the entire row. Upon
+selection the atoms will turn green in the structure drawing:</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -2937 +2838 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -2949 +2850 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -2960 +2861 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -2970 +2871 @@
 atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
 select a target row for this atom; insertion will be before this row and the
-table will be updated to show the change. NB: <span class=GramE>the</span> <b
-style='mso-bidi-font-weight:normal'>Draw Atoms</b> list is not updated by this
-change.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
-none;text-underline:none'><o:p></o:p></span></span></span></p>
+table will be updated to show the change. NB: the <b style='mso-bidi-font-weight:
+normal'>Draw Atoms</b> list is not updated by this change.<span
+class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
-left <span class=GramE>click</span> a Type column heading</b>: a dialog box is
-shown that allows you to select all atoms with that type. <span
-class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
+left click a Type column heading</b>: a dialog box is shown that allows you to
+select all atoms with that type. <span class=MsoHyperlink><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -2998 +2899 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -3007 +2908 @@
 the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
 style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
-normal'>Ctrl</b> allow selection of multiple <span class=GramE>cells</span> but
-no use is made of them). An individual data item can be cut/pasted anywhere
-including from/to another document. Bad entries are rejected. If any entry is
+normal'>Ctrl</b> allow selection of multiple cells but no use is made of them).
+An individual data item can be cut/pasted anywhere including from/to another
+document. Bad entries are rejected (yellow background). If any entry is
 changed, press <b style='mso-bidi-font-weight:normal'>Enter</b> key or select
 another atom entry to apply the change.<span class=MsoHyperlink><span
@@ -3015 +2916 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -3026 +2927 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -3038 +2939 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -3050 +2951 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>x,y</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>x,y,z</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – change atom coordinate.
 Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
@@ -3062 +2962 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso,Uij</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – change these values;
 fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
@@ -3074 +2973 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
@@ -3081 +2980 @@
 style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – select one of <b
-style='mso-bidi-font-weight:normal'>I</b>(<span class=SpellE>sotropic</span>)
-or <b style='mso-bidi-font-weight:normal'>A</b>(<span class=SpellE>nisotropic</span>);
-the <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span><b
-style='mso-bidi-font-weight:normal'>/<span class=SpellE>Uij</span></b> entries
-will change appropriately. <span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+style='mso-bidi-font-weight:normal'>I</b>(sotropic) or <b style='mso-bidi-font-weight:
+normal'>A</b>(nisotropic); the <b style='mso-bidi-font-weight:normal'>Uiso/Uij</b>
+entries will change appropriately. <span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
@@ -3097 +2994 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>On
@@ -3103 +3000 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3110 +3007 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Modify parameters</b> – A popup dialog box
 appears with a list of atom parameter names; select one to apply to all
-selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename selected
-atoms according to position in table (e.g. <span class=GramE>Na(</span>1) for
-Na atom as 1<sup>st</sup> atom in list in row ‘0’). <b style='mso-bidi-font-weight:
-normal'>Type</b> will give periodic table popup; selected element valence will
-be used for all selected atoms and atoms names will be changed. <b
-style='mso-bidi-font-weight:normal'>I/A</b> will give popup with choices to be
-used for all selected atoms. <span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'>x,y</b></span><b style='mso-bidi-font-weight:
-normal'>,z</b></span> will give popup for shift to be applied to the parameter
-for all selected atoms. <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span>
-and <b style='mso-bidi-font-weight:normal'>frac</b> will give popup for new
-value to be used for all selected atoms. </p>
+selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename
+selected atoms according to position in table (e.g. Na(1) for Na atom as 1<sup>st</sup>
+atom in list in row ‘0’). <b style='mso-bidi-font-weight:normal'>Type</b> will
+give periodic table popup; selected element valence will be used for all
+selected atoms and atoms names will be changed. <b style='mso-bidi-font-weight:
+normal'>I/A</b> will give popup with choices to be used for all selected atoms.
+<b style='mso-bidi-font-weight:normal'>x,y,z</b> will give popup for shift to
+be applied to the parameter for all selected atoms. <b style='mso-bidi-font-weight:
+normal'>Uiso</b> and <b style='mso-bidi-font-weight:normal'>frac</b> will give
+popup for new value to be used for all selected atoms. </p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b>Set
@@ -3135 +3030 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3142 +3037 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name= <span
-class=SpellE>Unk</span>) at 0,0,0 before the selected atom, it is also drawn as
-an H atom in the structure plot.</p>
+style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name=
+Unk) at 0,0,0 before the selected atom, it is also drawn as an H atom in the
+structure plot (small white ball).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Insert viewpoint</b> – insert an H atom
-(name= <span class=SpellE>Unk</span>) before the selected atom with coordinates
-matching the location of the viewpoint, it is also drawn as an H atom in the
-structure plot.</p>
+(name= Unk) before the selected atom with coordinates matching the location of
+the viewpoint, it is also drawn as an H atom in the structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3166 +3060 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3173 +3067 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3179 +3073 @@
 appears; select space group operator/unit cell translation to apply to the
 selected atoms. You can optionally force the result to be within the unit cell
-and optionally generate a new set of atom positions. You may also invert a <span
-class=SpellE>noncentrosymmetric</span> structure. NB: many of these operations
-only make sense if all atoms are selected.</p>
+and optionally generate a new set of atom positions. You may also invert a
+noncentrosymmetric structure. NB: many of these operations only make sense if
+all atoms are selected.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
@@ -3191 +3085 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Select from list </b>– A popup appears
-allowing selection of atoms for further changes. Selected atoms will turn
-green.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Select from list </b>– A popup appears allowing
+selection of atoms for further changes. Selected atoms will turn green.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= <span
-class=SpellE>Unk</span>) at 0,0,0 to the end of the atom table, it is also
-drawn as an H atom in the structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= Unk)
+at 0,0,0 to the end of the atom table, it is also drawn as an H atom in the
+structure plot.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Append viewpoint</b> – add an H atom (name=
-<span class=SpellE>Unk</span>) to the end of the atom table with coordinates
-matching the location of the viewpoint, it is drawn as an H atom in the
-structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+Unk) to the end of the atom table with coordinates matching the location of the
+viewpoint, it is drawn as an H atom in the structure plot.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Update H atoms </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Update H atoms </b>– Reset H-atoms
+according to bonding geometry; only applies to H-atoms initially placed via
+Calc H-atoms. Usually used after running a structure refinement.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Assemble
-molecule</b> – move atoms to create single <span class=GramE>molecule;</span>
-not appropriate for extended structures.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+molecule</b> – move atoms to create single molecule, not appropriate for
+extended structures.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -3236 +3130 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Reload draw atoms</b> – reload drawing
-atoms from current atom list.</p>
+atoms from current atom list. Generally needed after a refinement.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Reimport atoms </b>– from any importable phase
+file (e.g. cif, gpx)</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu<b
@@ -3249 +3150 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Show Distances &amp; Angles – </b>compute
-distances and angles with <span class=SpellE>esds</span> (if possible) for
-selected atoms. A popup dialog box will appear with distance angle controls.
-NB: if atoms have been added or their type changed, you may need to do a <b
-style='mso-bidi-font-weight:normal'>Reset</b> of this dialog box before
-proceeding.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+distances and angles with esds (if possible) for selected atoms. A popup dialog
+box will appear with distance angle controls. NB: if atoms have been added or
+their type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
+of this dialog box before proceeding.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as
-a. but reports result to a file with extension <span class=GramE>“.<span
-class=SpellE>disagl</span></span>”.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+a. but reports result to a file with extension “.disagl”.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Histogram
@@ -3275 +3174 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Apportion
@@ -3283 +3182 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Density
@@ -3289 +3188 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l2 level2 lfo5;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b>ISODISTORT mode values</b> - </p>
-
-<h5 style='margin-left:.5in'>What can I do with the plot?</span></h5>
-
-<p style='margin-left:1.0in'>A
-plot will be displayed only if the Draw Options or Draw Atoms tabs are visited
-before use of the Atoms tab. In that case the crystal structure is shown. Use
-of the mouse buttons changes the view of the structure and can be used to
-select atoms.<o:p></o:p></p>
-
-<DL style='margin-left:1.25in'>
-<DT><b>Left drag</b>:
-<DD>Holding down left button rotates axes around screen x &amp; y
-<DT><b>Right drag</b>:
-<DD>Holding down right button
-translates the fractional coordinates assigned to the viewpoint (which is kept
-at the center of the plot). The structure will appear to translate. The
-  viewpoint can also be entered directly in the Draw Options.
-<DT><b>Middle drag</b>:
-<DD>Holding down center button rotates axes around screen z (direction perpendicular to screen). 
-<DT><b>Mouse Wheel</b>:
-  <DD>Rotating the scroll wheel changes “camera distance” (zoom
-    in/out)
-<DT><b>Shift+Left Click</b>:
-<DD>Holding down the shift key
-while clicking on an atom with the left mouse button causes that atom to be
-selected (Shift + a Right click does the same). Any previously selected atoms
-will be reset. If two atoms are overlapped in the current view, then the
+</span></span></span><![endif]><b>ISODISTORT mode values</b> – there must be
+available the ISODISTORT mode displacement constraints available. This will
+compute the mode displacements for the current atom positions and display them
+in a popup window.</p>
+
+<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
+
+<p style='margin-left:1.0in'>A drawing of the crystal structure will be
+displayed only if the Draw Options or Draw Atoms tabs are visited first. When back
+at the Atoms tab, the following are applicable and use of the mouse buttons
+changes the view of the structure and can be used to select atoms.</p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Left drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down left button rotates axes around screen x &amp;
+y <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Right drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down right button translates the fractional coordinates
+assigned to the viewpoint (which is kept at the center of the drawing). The
+structure will appear to translate. The viewpoint can also be entered directly
+in the Draw Options. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Middle drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down center button rotates axes around screen z (direction
+perpendicular to screen). <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Mouse Wheel</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Rotating the scroll wheel changes “camera distance” (zoom
+in/out) <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Left Click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down the shift key while clicking on an atom with
+the left mouse button causes that atom to be selected (Shift + a Right click
+does the same). Any previously selected atoms will be reset. If two atoms are
+overlapped in the current view, then the top-most atom will usually be
+selected. Only atoms in the asymmetric unit can be selected from the plot in
+this way. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Right click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down the shift key while clicking on an atom with
+the right mouse button causes the atom to be selected if previously unselected
+and unselected if previously selected. Any previously selected atoms will be
+continue to be selected so shift-right click can be used to add atoms to the
+selection list. If two atoms are overlapped in the current view, then the
 top-most atom will usually be selected. Only atoms in the asymmetric unit can
-be selected from the plot in this way.
-<DT><b>Shift+Right click</b>:
-<DD>Holding down the shift key
-while clicking on an atom with the right mouse button causes the atom to be
-selected if previously unselected and unselected if previously selected. Any
-previously selected atoms will be continue to be
-selected so shift-right click can be used to add atoms to the selection list.
-If two atoms are overlapped in the current view, then the top-most atom will
-usually be selected. Only atoms in the asymmetric unit can be selected from the
-plot in this way.
-(On a Mac, <span class=SpellE>control+mouse</span> click is an
-  alternate way to do this.)
-<DT><B>Key n</b>:
-  <DD>Pressing the "n" key selects the next atom in the displayed atom list.
-<DT><B>Key p</b>:
-  <DD>Pressing the "p" key selects the previous atom in the displayed atom list.
-<DT><B>Key c</b>:
-  <DD>Pressing the "c" key sets the plot viewpoint at unit cell
-  center. Also resets n/p selection item to the 1<sup>st</sup>
-atom.
-</DL>
-
-<h4 style='margin-left:.25in'><a name="Phase-Draw_Options">
-<u>Draw Options</u></a></h4>
+be selected from the plot in this way. (On a Mac, control+mouse click is an
+alternate way to do this.) <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key n</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the &quot;n&quot; key selects the next atom in the
+displayed atom list. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key p</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the &quot;p&quot; key selects the previous atom in
+the displayed atom list. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key c</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the &quot;c&quot; key sets the plot viewpoint at
+unit cell center. Also resets n/p selection item to the 1<sup>st</sup> atom.<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key s:<o:p></o:p></span></b></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the “s” key brings up a (large) selection of color
+schemes for the slice contours. Default – “Paired” (Green – positive, red –
+negative &amp; yellow – zero).<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key k:<o:p></o:p></span></b></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the “k” key cycles through the possible slice
+contouring options (none, lines, colors, lines+colors)<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key +:<o:p></o:p></span></b></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the “+” (or “=”) key steps the viewpoint in
+positive drawing z-direction (away from viewer). If structure is incommensurate,
+“+” steps the structure and map through the 4<sup>th</sup> dimension (+tau).<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Key -:<o:p></o:p></span></b></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Pressing the “-“ key steps the viewpoint in negative drawing
+z-direction (toward from viewer). If structure is incommensurate, “-” steps the
+structure and map through the 4<sup>th</sup> dimension (-tau).<o:p></o:p></span></p>
+
+<h4 style='margin-left:.25in'><a name="Phase-Draw_Options"><u>Draw Options</u></a></h4>
+
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<p class=MsoNormal style='margin-left:.75in'>The
-Draw Options window provides access to a number of items that control how the
-structure is displayed. </p>
-
-<h5 style='margin-left:.5in'>What is plotted here?</h5>
-
-<p style='margin-left:.75in'>A
-plot that shows the atoms of the crystal structure is generated. The
-way that the structure is displayed is determined according to the
-controls in this page as well as the options on the <a
-href="#Phase-Draw_Atoms">Draw Atoms</a> page.</p> 
-
-<h5 style='margin-left:.5in'>What can I do with the plot?</span></h5>
-
-<p style='margin-left:.75in'>Use
-of the mouse buttons when viewing a crystal structure changes the view of the
-structure:<o:p></o:p></p>
-
-<DL style='margin-left:1.25in'>
-<DT><b>Left drag</b>:
-<DD>Holding down left button rotates axes around screen x &amp; y
-
-<DT><b>Right drag</b>:
-<DD>Holding down right button
-translates the fractional coordinates assigned to the viewpoint (which is kept
-at the center of the plot). The structure will appear to translate. The
-  viewpoint can also be entered directly in the Draw Options.
-
-<DT><b>Middle drag</b>:
-<DD>Holding down center button rotates axes around screen z (direction perpendicular to screen). 
-<DT><b>Mouse Wheel</b>:
-  <DD>Rotating the scroll wheel changes “camera distance” (zoom
-    in/out)
-</DL>
-
-<h4 style='margin-left:.25in'>
-<a name="Phase-Draw_Atoms"></a><a name="_Draw_Atoms"></a>
-<u>Draw Atoms</u></h4>
+<p class=MsoNormal style='margin-left:.75in'>The Draw Options window provides
+access to a number of items that control how the structure is displayed. If a
+map is available (Fourier of charge flipping), one can display a 10<span
+style='font-family:"Calibri",sans-serif'>Å</span>x10<span style='font-family:
+"Calibri",sans-serif'>Å</span> contoured slice centered at the viewpoint.
+Contouring done as lines, colors or lines &amp; colors combined. 3-D contouring
+is also available as green (red for negative density) map grid points. One can
+also draw individual or stack of hkl planes across unit cell.</p>
+
+<h5 style='margin-left:.5in'>What is drawn here?</h5>
+
+<p style='margin-left:.75in'>A drawing that shows the atoms of the crystal
+structure is generated. The way that the structure is displayed is determined
+according to the controls in this page as well as the options on the <a
+href="#Phase-Draw_Atoms">Draw Atoms</a> page.</p>
+
+<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
+
+<p style='margin-left:.75in'>Use of the mouse buttons and key presses when
+viewing a crystal structure changes the view of the structure; see Atoms or
+Draw Atoms for details</p>
+
+<h4 style='margin-left:.25in'><a name="Phase-Draw_Atoms"></a><a
+name="_Draw_Atoms"></a><u>Draw Atoms</u></h4>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
 gives a list of the atoms and bonds that are to be rendered as lines, van der
-Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or <span
-class=SpellE>polyhedra</span>. There are two menus for this tab; Edit allows
-modification of the list of atoms to be rendered and Compute gives some options
-for geometric characterization of selected atoms.</p>
+Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or
+polyhedra. There are four menus for this tab; Edit allows modification of the
+list of atoms to be rendered, Compute gives some options for geometric
+characterization of selected atoms, Restraints allows definition of 4 different
+types of restraints on the structure and Rigid body allows selection of atoms
+that form a previously defined rigid body.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3409 +3372 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>: select an
-atom by a left click of the mouse while holding down the Shift key and pointed
-at the center of the displayed atom, it will turn green if successful and the
+style='mso-bidi-font-weight:normal'>Atom Selection from drawing</b>: select an
+atom by a left click of the mouse while holding down the Shift key and pointed at
+the center of the displayed atom, it will turn green if successful and the
 corresponding entry in the table will be highlighted (in grey); any previous
-selections will be cleared. To add <span class=GramE>to .your</span> selection
-use the right mouse button (Shift down); if a previously selection is
-reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
-normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
-to <span class=GramE>select,</span> they may be selected inadvertently. You can
-rotate the structure anytime during the selection process.</p>
+selections will be cleared. To add to your selection, use the right mouse
+button (Shift down); if a previously selection is reselected it is removed from
+the selection list. <b style='mso-bidi-font-weight:normal'>NB</b>: beware of
+atoms that are hiding behind the one you are trying to select they may be
+selected inadvertently. You can rotate the structure anytime during the
+selection process.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
-a Name, Type and <span class=SpellE>Sym</span> Op column heading</b>: a dialog
-box is shown that allows you to select all atoms with that characteristic. For
-example, selecting the Type column will show all the atom types; your choice
-will then cause all those atoms to be selected.</p>
+style='mso-bidi-font-weight:normal'>Double left click a Name, Type and Sym Op
+column heading</b>: a dialog box is shown that allows you to select all atoms
+with that characteristic. For example, selecting the Type column will show all
+the atom types; your choice will then cause all those atoms to be selected.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
-a Style, Label or Color column</b>: a dialog box is shown that allows you to
-select a rendering option for all the atoms. For Color a color choice dialog is
-displayed that covers the entire color spectrum. Choose a color by any of the
-means available, press the “Add to Custom Colors”, select that color in the
-Custom colors display and then press OK. <b style='mso-bidi-font-weight:normal'>NB</b>:
-selecting Color will make all atoms have the same color and for Style “blank”
-means the atoms aren’t rendered and thus the plot will not show any atoms or
-bonds!</p>
+style='mso-bidi-font-weight:normal'>Double left click a Style, Label or Color
+column</b>: a dialog box is shown that allows you to select a rendering option
+for all the atoms. For Color a color choice dialog is displayed that covers the
+entire color spectrum. Choose a color by any of the means available, press the
+“Add to Custom Colors”, select that color in the Custom colors display and then
+press OK. <b style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will
+make all atoms have the same color and for Style “blank” means the atoms aren’t
+rendered and thus the drawing will not show any atoms or bonds!</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
@@ -3454 +3415 @@
 operations that can be performed on your selected atoms. You must select one or
 more atoms before using any of the menu items. Most of these items can also be
-accessed by selecting one or more atoms and <span class=GramE>right-clicking</span>
-the mouse.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+accessed by selecting one or more atoms and right-clicking the mouse.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3465 +3425 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be shown
-as a label for each atom in selection. The choices <span class=GramE>are:</span>
-none, type, name or number.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be
+shown as a label for each atom in selection. The choices are: none, type, name
+or number. (NB: atom labelling slows drawing response time).</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3482 +3442 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3489 +3449 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Edit atom radii </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Edit atom radii </b>– modify atom radii
+used in the bond assignment algorithm.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>View point</b></span> – position the plot view point to the first atom
-in the selection.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View
+point</b> – position the plot view point to the first atom in the selection.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Select from list </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Select from list </b>– select atoms from a
+popup list of names.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3516 +3477 @@
 symmetry operator and unit cell translation selected via a dialog display.
 Duplicate atom positions are not retained. Any anisotropic thermal displacement
-parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+parameters (Uij) will be transformed as appropriate.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add
-sphere of atoms </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+sphere of atoms </b>– fill in all equivalent atoms that fall within a sphere of
+selected radius about selected atoms.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -3532 +3494 @@
 draw atoms</b> – apply a symmetry operator and unit cell translation to the set
 of selected atoms; they will be changed in place. Any anisotropic thermal
-displacement parameters (<span class=SpellE>Uij</span>) will be transformed as
-appropriate.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+displacement parameters (Uij) will be transformed as appropriate.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3542 +3503 @@
 currently in the draw atom table, find all atoms that belong in the
 coordination sphere around the selected atoms via unit cell translations. NB:
-symmetry operations are not used in this search.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+symmetry operations are not used in this search; do Fill unit cell first.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>l.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -3554 +3515 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>m.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Complete molecule </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Complete molecule </b>– beginning with a
+selected atom, transform other atoms to equivalent positions that form a
+contiguous molecule. Not appropriate for continuous structures (a warning will
+appear)</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>n.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Create void map </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Create void map </b>– by using a grid of
+probe positions, locate points outside of normal contact distances within a
+structure. Result is a mesh of small blue points in structural voids (e.g. possible
+locations of missing water molecules).</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>o.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3574 +3541 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>p.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Update draw atoms </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Update draw atoms </b>– refresh the drawn
+atom positions from the Atoms list.</p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
+text-indent:-.25in;mso-list:l8 level1 lfo9;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>q.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Load selected atoms </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-bidi-font-weight:normal'>Load selected atoms </b>- refresh the selected
+drawn atom positions from the Atoms list.<o:p></o:p></p>
+
+<p class=MsoNormal style='margin-left:1.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
+
+<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
+text-indent:-.25in;mso-list:l5 level1 lfo7;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
 ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute menu gives a
-choice of geometric calculations to be performed with the selected atoms. You must
-select the appropriate number of atoms for these to work and the computation is
-done for the atoms in selection order.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+choice of geometric calculations to be performed with the selected atoms. You
+must select the appropriate number of atoms for these to work and the
+computation is done for the atoms in selection order.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l5 level2 lfo7;tab-stops:list 1.0in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this calculates
-distance from <span class=GramE>view point</span> to all selected draw atoms;
-result is given on the console window.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+distance from view-point to all selected draw atoms; result is given on the
+console window.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l5 level2 lfo7;tab-stops:list 1.0in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3609 +3580 @@
 normal'>Tors. </b>– when 2-4 atoms are selected, a distance, angle or torsion
 angle will be found for them. The angles are computed for the atoms in their
-selection order. The torsion angle is a <span class=GramE>right hand</span>
-angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
-estimated standard deviation is given for the calculated value if a current
-variance-covariance matrix is available. The result is shown on the console
-window; it may be cut &amp; pasted to another application (e.g. Microsoft
-Word).</p>
+selection order. The torsion angle is a right-hand angle about the A2-A3 vector
+for the sequence of atoms A1-A2-A3-A4. An estimated standard deviation is given
+for the calculated value if a current variance-covariance matrix is available.
+The result is shown on the console window; it may be cut &amp; pasted to
+another application (e.g. Microsoft Word).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l5 level2 lfo7;tab-stops:list 1.0in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -3634 +3604 @@
 unweighted center of the selected atoms.</p>
 
-<h5 style='margin-left:.5in'>What is plotted here?</h5>
+<p class=MsoNormal style='margin-left:58.5pt'>7. Menu ‘<b>Restraints’</b> – Individual
+restraints may be generated by selecting atoms and the corresponding restraint
+type from the menu</p>
+
+<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>a. <b>Add bond
+restraint</b> – for selected atom pair (A-B).</p>
+
+<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>b. <b>Add angle
+restraint</b> – for selected atom triple (A-B-C)</p>
+
+<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>c. <b>Add plane
+restraint</b> – for selected 4 or more atoms</p>
+
+<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>d. <b>Add
+chiral restrain</b>t – for selected 4 atoms; chiral atom first followed by 3
+other atoms; if selected in righthand sequence, chiral volume will be &gt; 0.</p>
+
+<p class=MsoNormal><span style='mso-tab-count:1'>            </span>8. Menu ‘<b>Rigid
+body</b>’/’<b>Define rigid body</b>’ – assign a previously defined rigid body
+to selected atoms.</p>
+
+<h5 style='margin-left:.5in'>What is drawn here?</h5>
 
 <p style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>A
-plot that shows the atoms of the crystal structure is generated. The atoms are
-displayed according to the controls in the in this page as well as options on
-the <a href="#Phase-Draw_Options">Draw Options</a> page. </p>
-
-<h5 style='margin-left:.5in'>What can I do with the plot?</h5>
-
-<p style='margin-left:1.0in'>
-Use of the mouse buttons when viewing a crystal structure changes the
-view of the structure:<o:p></o:p></p>
-
-<DL style='margin-left:1.25in'>
-<DT><b>Left drag</b>:
-<DD>Holding down left button rotates axes around screen x &amp; y
-<DT><b>Right drag</b>:
-<DD>Holding down right button
+drawing that shows the atoms of the crystal structure is generated. The atoms
+are displayed according to the controls in the in this page as well as options
+on the <a href="#Phase-Draw_Options">Draw Options</a> page. </p>
+
+<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
+
+<p style='margin-left:1.0in'>Use of the mouse buttons and key presses when
+viewing a crystal structure changes the view of the structure:</p>
+
+<p class=MsoNormal style='margin-left:1.25in'><a name="Phase-RB_Models"><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Left drag</span></b></a><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Holding down left button
+rotates axes around screen x &amp; y <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Right drag</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Holding down right button
 translates the fractional coordinates assigned to the viewpoint (which is kept
-at the center of the plot). The structure will appear to translate. The
-  viewpoint can also be entered directly in the Draw Options.
-<DT><b>Middle drag</b>:
-<DD>Holding down center button rotates axes around screen z (direction perpendicular to screen). 
-<DT><b>Mouse Wheel</b>:
-  <DD>Rotating the scroll wheel changes “camera distance” (zoom
-    in/out)
-<DT><b>Shift+Left Click</b>:
-<DD>Holding down the shift key
+at the center of the drawing). The structure will appear to translate. The
+viewpoint can also be entered directly in the Draw Options. <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Middle drag</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Holding down center button
+rotates axes around screen z (direction perpendicular to screen). <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Mouse Wheel</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Rotating the scroll wheel
+changes “camera distance” (zoom in/out) <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Shift+Left Click</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Holding down the shift key
 while clicking on an atom with the left mouse button causes that atom to be
 selected (Shift + a Right click does the same). Any previously selected atoms
 will be reset. If two atoms are overlapped in the current view, then the
-  top-most atom will usually be selected. Atom selection requires that
-  either the &quot;Atoms&quot; or &quot;Draw Atoms&quot; phase be displayed.
-<DT><b>Shift+Right click</b>:
-<DD>Holding down the shift key
+top-most atom will usually be selected. Only atoms in the asymmetric unit can
+be selected from the plot in this way. <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Shift+Right click</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Holding down the shift key
 while clicking on an atom with the right mouse button causes the atom to be
-selected, if previously unselected, or unselected, if previously selected. Any
-previously selected atoms will be continue to be
-selected so shift-right click can be used to add atoms to the selection list.
-If two atoms are overlapped in the current view, then the top-most atom will
-usually be selected. 
-Atom selection requires that either the &quot;Atoms&quot;
-  or &quot;Draw Atoms&quot; phase be displayed.
-  (On a Mac, <span class=SpellE>control+mouse</span> click is an
-  alternate way to do this.)
-</DL>
-
-<h4 style='margin-left:.25in'>
-<a name="Phase-RB_Models">RB Models</a></h4>
+selected if previously unselected and unselected if previously selected. Any
+previously selected atoms will be continue to be selected so shift-right click
+can be used to add atoms to the selection list. If two atoms are overlapped in
+the current view, then the top-most atom will usually be selected. Only atoms
+in the asymmetric unit can be selected from the plot in this way. (On a Mac, control+mouse
+click is an alternate way to do this.) <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key n</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the &quot;n&quot;
+key selects the next atom in the displayed atom list. <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key p</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the &quot;p&quot;
+key selects the previous atom in the displayed atom list. <o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key c</span></b></span><span
+style='mso-bookmark:Phase-RB_Models'><span style='mso-fareast-font-family:"Times New Roman"'>:
+<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the &quot;c&quot;
+key sets the plot viewpoint at unit cell center. Also resets n/p selection item
+to the 1<sup>st</sup> atom.<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key s:<o:p></o:p></span></b></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the “s” key brings
+up a (large) selection of color schemes for the slice contours. Default – “Paired”
+(Green – positive, red – negative &amp; yellow – zero).<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key k:<o:p></o:p></span></b></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the “k” key cycles
+through the possible slice contouring options (none, lines, colors,
+lines+colors)<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key +:<o:p></o:p></span></b></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the “+” (or “=”) key
+steps the viewpoint in positive drawing z-direction (away from viewer). If
+structure is incommensurate, “+” steps the structure and map through the 4<sup>th</sup>
+dimension (+tau).<o:p></o:p></span></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><span style='mso-bookmark:Phase-RB_Models'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Key -:<o:p></o:p></span></b></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-bookmark:Phase-RB_Models'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pressing the “-“ key steps
+the viewpoint in negative drawing z-direction (toward from viewer). If
+structure is incommensurate, “-” steps the structure and map through the 4<sup>th</sup>
+dimension (-tau).<o:p></o:p></span></span></p>
+
+<h4 style='margin-left:.25in'><span style='mso-bookmark:Phase-RB_Models'>RB
+Models</span></h4>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
@@ -3689 +3773 @@
 It also allows control of the location of the rigid body and in this phase</p>
 
-<h5 style='margin-left:.5in'>What can I do with the plot?</span></h5>
+<h5 style='margin-left:.5in'>What can I do with the drawing?</h5>
 
 <p style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>Use
 of the mouse buttons when viewing a crystal structure changes the view of the
-structure:<o:p></o:p></p>
-
-<DL style='margin-left:1.25in'>
-<DT><b>Left drag</b>:
-<DD>Holding down left button rotates axes around screen x &amp; y
-<DT><b>Right drag</b>:
-<DD>Holding down right button
-translates the fractional coordinates assigned to the viewpoint (which is kept
-at the center of the plot). The structure will appear to translate. The
-  viewpoint can also be entered directly in the Draw Options.
-<DT><b>Middle drag</b>:
-<DD>Holding down center button rotates axes around screen z (direction perpendicular to screen). 
-<DT><b>Mouse Wheel</b>:
-  <DD>Rotating the scroll wheel changes “camera distance” (zoom
-    in/out)
-</DL>
-
-<p style='margin-left:1.0in'>When
-a rigid body is being inserted into a structure, both the rigid body and the
-crystal structure are displayed. It is useful to plan for this by preselecting
-the atoms in the Draw Atoms list and to have atoms displayed as
-&quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The rigid body will be
-displayed as &quot;Ball-and-Sticks&quot; but bonds will be in green. Use of the
-Alt key causes the above mouse movements to reposition the rigid body rather
-than change the view of the crystal structure:<o:p></o:p></p>
-
-<DL style='margin-left:1.25in'>
-<DT><b>Alt+Left drag</b>: 
-<DD>Holding Alt while dragging
-the mouse with the left button down rotates the rigid body around screen x
-&amp; y axes
-
-<DT><b>Alt+Middle drag</b>: 
-<DD>Holding Alt while dragging
-the mouse with the middle button down rotates the rigid body around screen z
-axis (out of screen)
-
-<DT><b>Alt+Right drag</b>:
-  <DD>Holding Alt while dragging
-the mouse with the right button down translates the rigid body in the screen x
-&amp; y directions (rotate the plot to see and move in the rigid body in the
-third direction.) Pressing the &quot;Lock&quot; checkbox next to the origin location
-prevents the origin from being changed in this way.
-</DL>
-
-<h4 style='margin-left:.25in'><a
-name=Texture></a><a name="_Ref74983049"></a><a name=Phase-Texture></a>
-Texture</h4>
+structure:</p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Left drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down left button rotates axes around screen x &amp;
+y <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Right drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down right button translates the fractional
+coordinates assigned to the viewpoint (which is kept at the center of the
+plot). The structure will appear to translate. The viewpoint can also be
+entered directly in the Draw Options. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Middle drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding down center button rotates axes around screen z
+(direction perpendicular to screen). <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Mouse Wheel</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Rotating the scroll wheel changes “camera distance” (zoom
+in/out) <o:p></o:p></span></p>
+
+<p style='margin-left:1.0in'>When a rigid body is being inserted into a
+structure, both the rigid body and the crystal structure are displayed. It is
+useful to plan for this by preselecting the atoms in the Draw Atoms list and to
+have atoms displayed as &quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The
+rigid body will be displayed as &quot;Ball-and-Sticks&quot; but bonds will be
+in green. Use of the Alt key causes the above mouse movements to reposition the
+rigid body rather than change the view of the crystal structure:</p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Left drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding Alt while dragging the mouse with the left button
+down rotates the rigid body around screen x &amp; y axes <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Middle drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding Alt while dragging the mouse with the middle button
+down rotates the rigid body around screen z axis (out of screen) <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Right drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
+"Times New Roman"'>Holding Alt while dragging the mouse with the right button
+down translates the rigid body in the screen x &amp; y directions (rotate the
+plot to see and move in the rigid body in the third direction.) Pressing the
+&quot;Lock&quot; checkbox next to the origin location prevents the origin from
+being changed in this way. <o:p></o:p></span></p>
+
+<h4 style='margin-left:.25in'><a name=Texture></a><a name="_Ref74983049"></a><a
+name=Phase-Texture></a>Texture</h4>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
@@ -3761 +3870 @@
 analysis using GSAS-II employs spherical harmonics modeling, as described by
 Bunge, &quot;Texture Analysis in Materials Science&quot; (1982), and
-implemented by Von Dreele, J. Appl. <span class=SpellE>Cryst</span>., <b
-style='mso-bidi-font-weight:normal'>30</b>, 517-525 (1997) in GSAS. The even
-part of the orientation distribution function (ODF) via the general axis
-equation</p>
+implemented by Von Dreele, J. Appl. Cryst., <b style='mso-bidi-font-weight:
+normal'>30</b>, 517-525 (1997) in GSAS. The even part of the orientation
+distribution function (ODF) via the general axis equation</p>
 
 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -3894 +4002 @@
 of a unit vector coincident with h relative to the reciprocal lattice. For most
 crystal symmetries, <span style='font-family:Symbol'>f</span> is the angle
-between h and the n-<span class=SpellE>th</span> order major rotation axis of
-the space group (usually the c-axis) and <span style='font-family:Symbol'>b</span>
-is the angle between the projections of h and any secondary axis (usually the
-a-axis) onto the normal plane.<span style='mso-spacerun:yes'>  </span>In a
-similar way the sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
+between h and the n-th order major rotation axis of the space group (usually
+the c-axis) and <span style='font-family:Symbol'>b</span> is the angle between
+the projections of h and any secondary axis (usually the a-axis) onto the
+normal plane.<span style='mso-spacerun:yes'>  </span>In a similar way the
+sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
@@ -3995 +4103 @@
 a diffraction experiment the crystal reflection coordinates (<span
 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>)
-are determined by the choice of reflection index (<span class=SpellE>hkl</span>)
-while the sample coordinates (<span style='font-family:Symbol'>y</span>, <span
-style='font-family:Symbol'>g</span>) are determined by the sample orientation
-on the diffractometer. To define the sample coordinates (<span
-style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>),
-we have defined an instrument coordinate system (I, J, K) such that K is normal
-to the diffraction plane and J is coincident with the direction of the incident
+are determined by the choice of reflection index (hkl) while the sample
+coordinates (<span style='font-family:Symbol'>y</span>, <span style='font-family:
+Symbol'>g</span>) are determined by the sample orientation on the
+diffractometer. To define the sample coordinates (<span style='font-family:
+Symbol'>y</span>, <span style='font-family:Symbol'>g</span>), we have defined
+an instrument coordinate system (I, J, K) such that K is normal to the
+diffraction plane and J is coincident with the direction of the incident
 radiation beam toward the source. We further define a standard set of
 right-handed eulerian goniometer angles (<span style='font-family:Symbol'>W</span>,
@@ -4015 +4123 @@
 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
 Symbol'>F</span><sub>s</sub>) that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>,
-K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample rotation
-angles are defined so that with the goniometer angles at zero <span
+K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample
+rotation angles are defined so that with the goniometer angles at zero <span
 style='font-family:Symbol'>W</span><sub>s</sub> and <span style='font-family:
 Symbol'>F</span><sub>s</sub> are rotations about K and <span style='font-family:
@@ -4035 +4143 @@
 normal'><span style='font-family:Symbol'>F</span>+</b><b style='mso-bidi-font-weight:
 normal'><span style='font-family:Symbol'>F</span><sub>s</sub>)</b><b
-style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><span
-class=SpellE><sub>s</sub><span style='font-family:Symbol'>W</span><sub>s</sub></span><o:p></o:p></b></p>
+style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><sub>s</sub></b><b
+style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>W</span><sub>s</sub><o:p></o:p></b></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4045 +4153 @@
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
-margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=GramE><i>cos</i>(</span><span style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
+margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><i>cos</i>(<span
+style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4097 +4205 @@
 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:80.25pt;height:50.25pt'>
+ type="#_x0000_t75" style='width:80.1pt;height:50.2pt'>
  <v:imagedata src="gsasII-phase_files/image015.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=107 height=67
@@ -4116 +4224 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
+ type="#_x0000_t75" style='width:45.65pt;height:26.35pt'>
  <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
@@ -4132 +4240 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:43.5pt;height:26.25pt'>
+ type="#_x0000_t75" style='width:43.6pt;height:26.35pt'>
  <v:imagedata src="gsasII-phase_files/image019.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=58 height=35
@@ -4148 +4256 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
@@ -4202 +4310 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:158.4pt;height:42pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:158.25pt;height:42pt'>
  <v:imagedata src="gsasII-phase_files/image021.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=211 height=56
@@ -4224 +4332 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:30.8pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:30.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image023.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=41 height=35
@@ -4274 +4382 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:149.2pt;height:52.4pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:149.25pt;height:52.5pt'>
  <v:imagedata src="gsasII-phase_files/image025.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=199 height=70
@@ -4327 +4435 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:153.6pt;height:52.4pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:153.75pt;height:52.5pt'>
  <v:imagedata src="gsasII-phase_files/image027.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=205 height=70
@@ -4334 +4442 @@
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
 margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>for
-<span class=SpellE>n</span> odd.<span style='mso-spacerun:yes'>  </span>Each
-sum is only over either the even or odd values of s, respectively, because of
-the properties of the Fourier coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
+n odd.<span style='mso-spacerun:yes'>  </span>Each sum is only over either the
+even or odd values of s, respectively, because of the properties of the Fourier
+coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
@@ -4348 +4456 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:21.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image029.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
@@ -4473 +4581 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:408.8pt;height:55.6pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:408.7pt;height:55.25pt'>
  <v:imagedata src="gsasII-phase_files/image031.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=545 height=74
@@ -4509 +4617 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:102pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:101.9pt;height:26.35pt'>
  <v:imagedata src="gsasII-phase_files/image033.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=136 height=35
@@ -4542 +4650 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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- type="#_x0000_t75" style='width:94.4pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:94.3pt;height:26.35pt'>
  <v:imagedata src="gsasII-phase_files/image035.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=126 height=35
@@ -4561 +4669 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
@@ -4578 +4686 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:47.2pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:47.25pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image039.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=63 height=35
@@ -4595 +4703 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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- type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
@@ -4672 +4780 @@
 top:4.0pt;mso-text-raise:-4.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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- type="#_x0000_t75" style='width:18.8pt;height:29.2pt'>
+ type="#_x0000_t75" style='width:18.75pt;height:29.25pt'>
  <v:imagedata src="gsasII-phase_files/image043.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=25 height=39
@@ -4692 +4800 @@
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- type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:21.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
@@ -4711 +4819 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
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- type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ type="#_x0000_t75" style='width:21.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
@@ -4767 +4875 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:180.8pt;height:54pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:180.75pt;height:54pt'>
  <v:imagedata src="gsasII-phase_files/image047.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=241 height=72
@@ -4782 +4890 @@
 of this correction. In one, a suite of spherical harmonics coefficients is
 defined for the texture of a phase in the sample; this can have any of the
-possible sample symmetries and is the usual result desired for texture
-analysis. The other is the suite of spherical harmonics terms for cylindrical
-sample symmetry for each phase in each powder pattern (“histogram”) and is
-usually used to accommodate preferred orientation effects in a Rietveld
-refinement. The former description allows refinement of the sample orientation
-zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span
-style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>,
-but the latter description does not (they are assumed to be zero and not
-refinable). The sample orientation angles, (<span style='font-family:Symbol'>W</span>,
-<span style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F) </span>are
+possible sample symmetries and is the usual result desired for texture analysis.
+The other is the suite of spherical harmonics terms for cylindrical sample
+symmetry for each phase in each powder pattern (“histogram”) and is usually
+used to accommodate preferred orientation effects in a Rietveld refinement. The
+former description allows refinement of the sample orientation zeros, <span
+style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>,
+<span style='font-family:Symbol'>F</span><sub>s</sub>, but the latter
+description does not (they are assumed to be zero and not refinable). The
+sample orientation angles, (<span style='font-family:Symbol'>W</span>, <span
+style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F) </span>are
 specified in the Sample Parameters table in the GSAS-II data tree structure and
 are applied for either description.</p>
@@ -4805 +4913 @@
 incident and diffracted beams at equal angles (theta) on opposite sides of the
 sample. The sample is frequently spun about its normal to improve powder
-statistics and impose cylindrical symmetry on any preferred orientation (texture).
-Thus, the diffraction plane (source, diffraction vector &amp; detector)
-contains the K-vector which is parallel to the diffraction vector and <a
-name="_Hlk74813217"><span style='font-family:Symbol'>W</span>, </a><span
+statistics and impose cylindrical symmetry on any preferred orientation
+(texture). Thus, the diffraction plane (source, diffraction vector &amp;
+detector) contains the K-vector which is parallel to the diffraction vector and
+<a name="_Hlk74813217"><span style='font-family:Symbol'>W</span>, </a><span
 style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>C</span>, </span><span
 style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>F = 0.</span></span><span
@@ -4829 +4937 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
-area detector is presumed to be directly behind the sample with the incident beam
-somewhere near the center of the detector. The detector axes are defined (for a
-synchrotron) with the X-axis toward the synchrotron ring and the Y-axis
+area detector is presumed to be directly behind the sample with the incident
+beam somewhere near the center of the detector. The detector axes are defined
+(for a synchrotron) with the X-axis toward the synchrotron ring and the Y-axis
 vertical “up”; one views the detector image as if looking from the x-ray
 source. The sample is assumed to be a capillary (which may be spun to impose
@@ -4846 +4954 @@
 <p class=MsoNormal style='margin-left:.75in'>1. Menu ‘<b>Texture/Refine
 texture’ </b>– refines the spherical harmonics texture model using the
-predetermined values of <span class=SpellE>Prfo</span> for all histogram
-reflection sets as demonstrated in <a
+predetermined values of Prfo for all histogram reflection sets as demonstrated
+in <a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DTexture/Texture%20analysis%20of%202D%20data%20in%20GSAS-II.htm">2DTexture</a>
-tutorial.<o:p></o:p></span></p>
-
-<p></p>
+tutorial.</p>
 
 <p class=MsoNormal style='margin-left:.75in'>2. Texture settings:</p>
@@ -4871 +4977 @@
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
-an &quot;Axial pole distribution&quot; which simulates the intensity of a
-reflection during a phi scan.<o:p></o:p></span></p>
+an &quot;Axial pole distribution&quot; which simulates the intensity of a reflection
+during a phi scan.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
@@ -4886 +4992 @@
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
 a &quot;pole figure,&quot; where a projection of the probability of finding a
-pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
-orientation.<o:p></o:p></span></p>
+pole (hkl) is plotted as a function of sample orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
-<span class=GramE>a</span> &quot;inverse pole figure,&quot; where a projection
-of the probability of finding all poles (<span class=SpellE>hkls</span>) is
-plotted for a selected sample orientation.<o:p></o:p></span></p>
+an &quot;inverse pole figure,&quot; where a projection of the probability of
+finding all poles (hkls) is plotted for a selected sample orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:1.25in;text-indent:-.25in;mso-list:l1 level1 lfo11;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
@@ -4906 +5010 @@
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>or
 as a &quot;3D pole distribution&quot; that shows the probability of finding a
-pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
-orientation. <o:p></o:p></span></p>
+pole (hkl) is plotted as a function of sample orientation. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
 margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>For Axial distribution, pole
-figure and 3D pole distribution one must next select the <span class=SpellE>hkl</span>
-of the desired pole, for Inverse pole figure one must select a sample direction
-(typically 0 0 1).<o:p></o:p></span></p>
+figure and 3D pole distribution one must next select the hkl of the desired
+pole, for Inverse pole figure one must select a sample direction (typically 0 0
+1).<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -4944 +5047 @@
 magnitude. The crystal structure plot shows each peak position as a white to
 dark gray cross; the shade is determined from the magnitude for the peak
-relative to the maximum peak magnitude. Negative peaks shown in orange.</p>
+relative to the maximum peak magnitude; some are connected by white sticks as
+possible bonds. Negative peaks are shown in orange.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l9 level1 lfo13;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
@@ -4962 +5066 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
+auto;text-indent:-.25in;mso-list:l9 level1 lfo13;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name=Phase-Pawley><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -4969 +5073 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
+auto;text-indent:-.25in;mso-list:l9 level1 lfo13;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name=Pawley><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman"'><span
 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select the </a><span class=SpellE><span
-style='mso-bookmark:Pawley'><b style='mso-bidi-font-weight:normal'>dzero</b></span></span><span
-style='mso-bookmark:Pawley'> column – the entries will be sorted with the
-smallest (distance from origin) at the top.</span></p>
+</span></span></span><![endif]>Select the <b style='mso-bidi-font-weight:normal'>dzero</b>
+column – the entries will be sorted with the smallest (distance from origin) at
+the top.</a></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l9 level1 lfo13;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select the <span class=SpellE><b>dcent</b></span>
-column – the entries will be sorted with the smallest distance from the unit
-cell center at the top.</span></p>
+</span></span></span><![endif]>Select the <b>dcent</b> column – the entries
+will be sorted with the smallest distance from the unit cell center at the top.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l9 level1 lfo13;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]>Menu <b style='mso-bidi-font-weight:normal'>‘Map
-peaks<span class=GramE>’ <span style='font-weight:normal'><span
-style='mso-spacerun:yes'> </span>–</span></span></b></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+peaks’ </b><span style='mso-spacerun:yes'> </span>–</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5011 +5112 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>View point</b></span><b style='mso-bidi-font-weight:normal'> </b>– this
-positions the view point (large 3D RGB cross) at the 1<sup>st</sup> selected
-peak.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View
+point </b>– this positions the viewpoint (large 3D RGB cross) at the 1<sup>st</sup>
+selected peak.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View pt</b>.
 <b style='mso-bidi-font-weight:normal'>dist</b>. – this calculates distance
-from <span class=GramE>view point</span> to all selected map peaks.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+from viewpoint to all selected map peaks.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5035 +5135 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Calc <span
-class=SpellE>dist</span>/ang </b>– if 2 peaks are selected, this calculates the
-distance between them. If 3 peaks are selected this calculates the angle
-between them; NB: selection order matters. If selection is not 2 or 3 peaks
-this is ignored. Output is on the console window.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Calc
+dist/ang </b>– if 2 peaks are selected, this calculates the distance between
+them. If 3 peaks are selected this calculates the angle between them; NB:
+selection order matters. If selection is not 2 or 3 peaks this is ignored.
+Output is on the console window.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5053 +5153 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5060 +5160 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>h.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5068 +5168 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>i.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5077 +5177 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>j.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5084 +5184 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>k.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
-peaks </b>– this deletes selected peaks. The shading on the remaining peaks is changed
-to reflect any change in the maximum after deletion.</span></p>
+peaks </b>– this deletes selected peaks. The shading on the remaining peaks is
+changed to reflect any change in the maximum after deletion.</span></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
+text-indent:-.25in;mso-list:l9 level2 lfo13;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>l.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5110 +5210 @@
 style='mso-bookmark:Pawley'>).</span></p>
 
-<h5 style='margin-left:.5in'>What can I do here?</h5>
+<h5 style='margin-left:.5in'><span style='mso-bookmark:Pawley'>What can I do
+here?</span></h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+text-indent:-.25in;mso-list:l3 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5120 +5221 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5129 +5230 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
-create</b> – this creates a new set of Pawley reflections, over writing any
-preexisting Pawley set. They are generated with d-spacings larger than the
-limit set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab for
-this phase. By <span class=GramE>default</span> the refine flags are not set
-and the <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>) = 100.0.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+create</b> – this creates a new set of Pawley reflections, over writing any preexisting
+Pawley set. They are generated with d-spacings larger than the limit set as
+‘Pawley dmin’ in the General tab for this phase. By default the refine flags
+are not set and the Fsq(hkl) = 100.0.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
-estimate</b> – this attempts an estimate of <span class=SpellE>Fsq</span>(<span
-class=SpellE>hkl</span>) from the peak heights of the reflection as seen in the
-1<sup>st</sup> powder pattern of those selected in the </span><a href="#_Data"><span
-style='mso-bookmark:Pawley'>Data</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> tab.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+estimate</b> – this attempts an estimate of Fsq(hkl) from the peak heights of
+the reflection as seen in the 1<sup>st</sup> powder pattern of those selected
+in the </span><a href="#_Data"><span style='mso-bookmark:Pawley'>Data</span><span
+style='mso-bookmark:Pawley'></span></a><span style='mso-bookmark:Pawley'> tab.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
 update </b>– process Pawley reflection set for negative intensities. These are
-set to ½ its absolute value for <span class=SpellE>noncentrosymmetric</span>
-space groups (0.3 otherwise); the refine flag is turned off. One should repeat
-Pawley refinement and then do </span><span style='mso-bookmark:Pawley'><b><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine all</span></b>
-and an additional refinement. Repeat as needed to remove negative intensities.
-Set </span><span style='mso-bookmark:Pawley'><b><span style='font-family:"Calibri",sans-serif;
+set to ½ its absolute value for noncentrosymmetric space groups (0.3
+otherwise); the refine flag is turned off. One should repeat Pawley refinement
+and then do </span><span style='mso-bookmark:Pawley'><b><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>Refine all</span></b> and an
+additional refinement. Repeat as needed to remove negative intensities. Set </span><span
+style='mso-bookmark:Pawley'><b><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Pawley neg. wt.</span></b> (see </span><span style='mso-bookmark:
@@ -5170 +5269 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5177 +5276 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5184 +5283 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5191 +5290 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>You can change the refine flags either by clicking
-on the box or by selecting one and then selecting the column (a single click on
-the column heading). Then type ‘y’ to set the refine flags or ‘n’ to clear the
-flags. You should not refine those reflections that fall below the lower limit
-or above the upper limit of the powder pattern otherwise you may have a
-singular matrix error in your Pawley refinement.</span></p>
+</span></span></span><![endif]>You can change the refine flags either by
+clicking on the box or by selecting one and then selecting the column (a single
+click on the column heading). Then type ‘y’ to set the refine flags or ‘n’ to
+clear the flags. You should not refine those reflections that fall below the
+lower limit or above the upper limit of the powder pattern otherwise you may
+have a singular matrix error in your Pawley refinement.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
 can delete an individual reflection from the Pawley set by selecting its row
 (will be highlighted) and then pressing the Delete key (this is not reversable
-&amp; only <span class=GramE>deletes</span> the 1<sup>st</sup> one selected).</p>
+&amp; only deletes the 1<sup>st</sup> one selected).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l3 level1 lfo15;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
-can change the individual <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>)
-values by selecting it, typing in the new value and then pressing enter or
-selecting somewhere else in the table.</p>
+can change the individual Fsq(hkl) values by selecting it, typing in the new
+value and then pressing enter or selecting somewhere else in the table.</p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name=Phase-Layers>Layers</a></h4>
 
-<p class=MsoNormal style='margin-left:.5in'>This is
-used to set up stacking fault models for simulations of x-ray diffraction
-patterns. See for example the <a
+<p class=MsoNormal style='margin-left:.5in'>This is used to set up stacking
+fault models for simulations of x-ray diffraction patterns. See for example the
+<a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-I/Stacking%20Faults-I.htm">Stacking
-Faults-I</a> tutorial. The computations are done by a modified version of <span
-class=SpellE>DIFFaX</span>. See M.M.J. Treacy, J.M. Newsam and M.W. Deem,
-Proc. Roy. Soc. <span class=SpellE>Lond</span>. 433A, 499-520 (1991)
-for more information on DIFFaX and please cite this if you use this
-section of GSAS-II.</p>
+Faults-I</a> tutorial. The computations are done by a modified version of
+DIFFaX. See M.M.J. Treacy, J.M. Newsam and M.W. Deem, Proc. Roy. Soc. Lond.
+433A, 499-520 (1991) for more information on DIFFaX and please cite this if you
+use this section of GSAS-II.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
@@ -5239 +5336 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo19;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Load from <span class=SpellE>DIFFaX</span>
-file – </b><span style='mso-bidi-font-weight:bold'>load parameters from a <span
-class=SpellE>DIFFaX</span> input file</span></p>
+style='mso-bidi-font-weight:normal'>Load from DIFFaX file – </b><span
+style='mso-bidi-font-weight:bold'>load parameters from a DIFFaX input file</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo19;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
@@ -5255 +5351 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo19;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Simulate pattern – </b><span
-style='mso-bidi-font-weight:bold'>run <span class=SpellE>DIFFaX</span> to
-simulate selected pattern<o:p></o:p></span></p>
+style='mso-bidi-font-weight:bold'>run DIFFaX to simulate selected pattern<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo19;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Fit pattern – </b><span style='mso-bidi-font-weight:
-bold'>refine stacking <span class=SpellE>fult</span> parameters to fit observed
-pattern (not available yet)<o:p></o:p></span></p>
+bold'>refine stacking fult parameters to fit observed pattern (not available
+yet)<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo19;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
@@ -5279 +5374 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5286 +5381 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5293 +5388 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5301 +5396 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5309 +5404 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Next are
 descriptions of the layers to be used in the calculations. They can be created
-atom-by-atom or imported from another GSAS-II <span class=SpellE>gpx</span>
-file. If a layer is already present, then the new layer can be the same; give
-it a different name.<o:p></o:p></span></p>
+atom-by-atom or imported from another GSAS-II gpx file. If a layer is already
+present, then the new layer can be the same; give it a different name.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5327 +5421 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5334 +5428 @@
 1).<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpLast style='margin-left:63.8pt;mso-add-space:auto;
+text-indent:-.25in;mso-list:l6 level1 lfo19;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
 style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -5342 +5436 @@
 simulation<o:p></o:p></span></p>
 
-<p style='margin-left:.5in'>
-You can draw the layer structures as well as
-sequences of layers to check on how they fit together; see the <b>Plot</B>
+<p style='margin-left:.5in'>You can draw the layer structures as well as
+sequences of layers to check on how they fit together; see the <b>Plot</b>
 boxes for this.</p>
 
-<h4 style='margin-left:.25in'>
-<a name="Phase-Wave_Data"></a>Wave Data</h4>
+<h4 style='margin-left:.25in'><a name="Phase-Wave_Data"></a>Wave Data</h4>
+
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<h4 style='margin-left:.25in'>
-<a name="Phase-MC/SA">MC/SA</a></h4>
+<h4 style='margin-left:.25in'><a name="Phase-MC/SA">MC/SA</a></h4>
+
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<h4 style='margin-left:.25in'>
-<a name="Phase-RMC">RMC</a></h4>
+<h4 style='margin-left:.25in'><a name=Phase-RMC>RMC</a></h4>
+
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<h4 style='margin-left:.25in'>
-<a name="Phase-ISODISTORT">ISODISTORT</a></h4>
+<h4 style='margin-left:.25in'><a name=Phase-ISODISTORT>ISODISTORT</a></h4>
+
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
-<h4 style='margin-left:.25in'>
-<a name="Phase-Pawley_reflections">Pawley_reflections</a></h4>
-<h5 style='margin-left:.5in'>What can I do here?</h5>
-
-
+<div class=MsoNormal align=center style='text-align:center'><span
+style='mso-fareast-font-family:"Times New Roman"'>
 
 <hr size=3 width="100%" align=center>
 
-<p class=MsoNormal>
-<span style='mso-fareast-font-family:"Times New Roman"'>
-<!-- hhmts start -->Last modified: Tue Jan 25 09:29:56 CST 2022 <!-- hhmts end --><o:p></o:p></span></p>
+</span></div>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last
+modified: Tue Jan 25 09:29:56 CST 2022 <!-- hhmts end --><o:p></o:p></span></p>
 
 </div>