Changeset 863

Timestamp:

Mar 13, 2013 10:43:09 AM (10 years ago)

Author:

vondreele

Message:

fix to notebook & comment (not allowed) editing
avoid a dead window problem with comments/notebook
fix atom editing problems with no rigid bodies
work on help text

Location:

trunk

Files:

• Exercises/sucrose/11bmb_8714.fxye (modified) (3 diffs)
• GSASII.py (modified) (1 diff)
• GSASIIgrid.py (modified) (3 diffs)
• GSASIIphsGUI.py (modified) (4 diffs)
• GSASIIplot.py (modified) (2 diffs)
• GSASIIrestrGUI.py (modified) (1 diff)
• GSASIIstruct.py (modified) (1 diff)
• help/gsasII.html (modified) (66 diffs)
• help/gsasII_files/props011.xml (modified) (1 diff)

trunk/Exercises/sucrose/11bmb_8714.fxye

@@ -1 @@
-/home/beams/S11BM/data/jul12/11bmb_8714.mda JUL 26, 2012 14:03:07.372586 
+/home/beams/S11BM/data/jul12/11bmb_8714.mda JUL 26, 2012 14:03:07.372586
 # Run no. =               8714 
 # No. steps =             34000 
@@ -20 +20 @@
 # Calibrated wavelength = 0.413259 
 # Normalization factor  = 8.2762 
-BANK 1 49494 49494 CONS 50.000000 0.099987  0 0 FXYE
+BANK 1 49493 49493 CONS 50.000000 0.099987  0 0 FXYE
  50.000000 142.728866 17.503056 
  50.099987 103.315073 14.975092 
@@ -49514 +49514 @@
  4998.443206 78.765120 24.675304 
  4998.543193 36.695248 16.901827 
- 4998.643179 24.814326 13.941939 

trunk/GSASII.py

@@ -1888 +1888 @@
 
     def OnFileSave(self, event):
+        
         if self.GSASprojectfile: 
             self.PatternTree.SetItemText(self.root,'Loaded Data: '+self.GSASprojectfile)

trunk/GSASIIgrid.py

@@ -1515 +1515 @@
 ################################################################################           
        
-def UpdateNotebook(G2frame,data):        
-    if data:
-        G2frame.dataFrame.SetLabel('Notebook')
-        G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
-            style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP)
-        for line in data:
-            G2frame.dataDisplay.AppendText(line+"\n")
-            G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
+def UpdateNotebook(G2frame,data):
+    
+    def OnNoteBook(event):
+        data = G2frame.dataDisplay.GetValue()
+        G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data)
+                    
+    if G2frame.dataDisplay:
+        G2frame.dataDisplay.Destroy()
+    G2frame.dataFrame.SetLabel('Notebook')
+    G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
+        style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP)
+    G2frame.dataDisplay.Bind(wx.EVT_TEXT_ENTER,OnNoteBook)
+    G2frame.dataDisplay.Bind(wx.EVT_KILL_FOCUS,OnNoteBook)
+    for line in data:
+        G2frame.dataDisplay.AppendText(line+"\n")
+    G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n")
+    G2frame.dataFrame.setSizePosLeft([400,250])
             
 ################################################################################
@@ -1691 +1700 @@
        
 def UpdateComments(G2frame,data):                   
+
+    if G2frame.dataDisplay:
+        G2frame.dataDisplay.Destroy()
     G2frame.dataFrame.SetLabel('Comments')
     G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(),
-        style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP)
+        style=wx.TE_MULTILINE|wx.TE_READONLY|wx.TE_DONTWRAP)
     for line in data:
-        if line[-1] == '\n':
-            G2frame.dataDisplay.AppendText(line)
-        else:
-            G2frame.dataDisplay.AppendText(line+'\n')
+        G2frame.dataDisplay.AppendText(line+'\n')
+    G2frame.dataFrame.setSizePosLeft([400,250])
             
 ################################################################################
@@ -2017 +2027 @@
         SetDataMenuBar(G2frame)
         if G2frame.dataFrame.GetLabel() == 'Comments':
-            data = [G2frame.dataDisplay.GetValue()]
-            G2frame.dataDisplay.Clear() 
-            Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments')
-            if Id: G2frame.PatternTree.SetItemPyData(Id,data)
+            try:
+                data = [G2frame.dataDisplay.GetValue()]
+                G2frame.dataDisplay.Clear() 
+                Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments')
+                if Id: G2frame.PatternTree.SetItemPyData(Id,data)
+            except:     #clumsy but avoids dead window problem when opening another project
+                pass
         elif G2frame.dataFrame.GetLabel() == 'Notebook':
-            data = [G2frame.dataDisplay.GetValue()]
-            G2frame.dataDisplay.Clear() 
-            Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook')
-            if Id: G2frame.PatternTree.SetItemPyData(Id,data)
+            try:
+                data = [G2frame.dataDisplay.GetValue()]
+                G2frame.dataDisplay.Clear() 
+                Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook')
+                if Id: G2frame.PatternTree.SetItemPyData(Id,data)
+            except:     #clumsy but avoids dead window problem when opening another project
+                pass
         elif 'Phase Data for' in G2frame.dataFrame.GetLabel():
             if G2frame.dataDisplay: 

trunk/GSASIIphsGUI.py

@@ -916 +916 @@
                             if Atoms.GetColLabelValue(c) == 'refine':
                                 rbExcl = rbAtmDict.get(atomData[r][-1],'')
-                                for excl in rbExcl:
-                                    atomData[r][c] = parms.replace(excl,'')
+                                if rbExcl:
+                                    for excl in rbExcl:
+                                        atomData[r][c] = parms.replace(excl,'')
+                                else:
+                                    atomData[r][c] = parms
                             else: 
                                 atomData[r][c] = parms
@@ -1099 +1102 @@
                 atId = atomData[row][-1]
                 rbExcl = rbAtmDict.get(atId,'')
-                if 'X' in rbExcl:
-                    for c in range(0,colX+3):
-                        if c != colR:
-                            Atoms.SetCellStyle(row,c,VERY_LIGHT_GREY,True)                        
-                Atoms.SetReadOnly(row,colType,True)
                 Atoms.SetReadOnly(row,colSS,True)                         #site sym
                 Atoms.SetReadOnly(row,colSS+1,True)                       #Mult
@@ -1125 +1123 @@
                         Atoms.SetCellStyle(row,ci,VERY_LIGHT_GREY,True)
                         Atoms.SetCellTextColour(row,ci,VERY_LIGHT_GREY)
+                if 'X' in rbExcl:
+                    for c in range(0,colX+3):
+                        if c != colR:
+                            Atoms.SetCellStyle(row,c,VERY_LIGHT_GREY,True)
             Atoms.AutoSizeColumns(False)
 
@@ -4075 +4077 @@
     def OnShowBonds(event):
         generalData = data['General']
-        if generalData['Map']['Show bonds']:
+        if generalData['Map'].get('Show bonds',False):
             generalData['Map']['Show bonds'] = False
             G2frame.dataFrame.MapPeaksEdit.SetLabel(G2gd.wxID_SHOWBONDS,'Show bonds')

trunk/GSASIIplot.py

@@ -1732 +1732 @@
 
     def OnMotion(event):
+        #there is a problem here - reports wrong values
         if event.button:
             ytics = imgAx.get_yticks()
@@ -2624 +2625 @@
     if 'Map' in generalData:
         mapData = generalData['Map']
-        showBonds = mapData['Show bonds']
+        showBonds = mapData.get('Show bonds',False)
     if 'Flip' in generalData:
         flipData = generalData['Flip']                        

trunk/GSASIIrestrGUI.py

@@ -210 +210 @@
         if len(Lists['origin']) and len(Lists['target']):
             bond = 1.54
-            dlg = G2phG.SingleFloatDialog(G2frame,'Distance','Enter restraint distance for bond',bond,[0.01,4.],'%.4f')
+            dlg = G2gd.SingleFloatDialog(G2frame,'Distance','Enter restraint distance for bond',bond,[0.01,4.],'%.4f')
             if dlg.ShowModal() == wx.ID_OK:
                 bond = dlg.GetValue()

trunk/GSASIIstruct.py

@@ -3966 +3966 @@
         GetFobsSq(Histo,Phases,parmDict,calcControls)
         sigDict = dict(zip(varyList,sig))
-        newCellDict = GetNewCellParms(parmDict,varyList)
-        newAtomDict = ApplyXYZshifts(parmDict,varyList)
+        newCellDict = copy.deepcopy(GetNewCellParms(parmDict,varyList))
+        newAtomDict = copy.deepcopy(ApplyXYZshifts(parmDict,varyList))
         covData = {'variables':result[0],'varyList':varyList,'sig':sig,'Rvals':Rvals,
             'covMatrix':covMatrix,'title':histogram,'newAtomDict':newAtomDict,'newCellDict':newCellDict}

trunk/help/gsasII.html

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>103</o:Revision>
-  <o:TotalTime>3119</o:TotalTime>
+  <o:Revision>111</o:Revision>
+  <o:TotalTime>3720</o:TotalTime>
   <o:Created>2011-11-28T16:49:00Z</o:Created>
-  <o:LastSaved>2012-10-19T18:11:00Z</o:LastSaved>
-  <o:Pages>9</o:Pages>
-  <o:Words>8495</o:Words>
-  <o:Characters>48423</o:Characters>
+  <o:LastSaved>2013-03-12T17:43:00Z</o:LastSaved>
+  <o:Pages>11</o:Pages>
+  <o:Words>10078</o:Words>
+  <o:Characters>57446</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>403</o:Lines>
-  <o:Paragraphs>113</o:Paragraphs>
-  <o:CharactersWithSpaces>56805</o:CharactersWithSpaces>
+  <o:Lines>478</o:Lines>
+  <o:Paragraphs>134</o:Paragraphs>
+  <o:CharactersWithSpaces>67390</o:CharactersWithSpaces>
   <o:Version>14.00</o:Version>
  </o:DocumentProperties>
@@ -429 +429 @@
         font-weight:bold;}
 h4
-        {mso-style-priority:9;
+        {mso-style-noshow:yes;
+        mso-style-priority:9;
         mso-style-qformat:yes;
         mso-style-link:"Heading 4 Char";
@@ -820 +821 @@
 span.Heading4Char
         {mso-style-name:"Heading 4 Char";
+        mso-style-noshow:yes;
         mso-style-priority:9;
         mso-style-unhide:no;
@@ -1161 +1163 @@
         text-indent:-.25in;}
 @list l5
-        {mso-list-id:413935261;
-        mso-list-type:hybrid;
-        mso-list-template-ids:567860870 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        {mso-list-id:377432391;
+        mso-list-template-ids:713467934;}
 @list l5:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:45.0pt;
         text-indent:-.25in;}
 @list l5:level2
         {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
+        mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;
+        mso-ansi-font-size:12.0pt;
+        font-family:"Times New Roman","serif";
+        mso-ansi-font-weight:normal;
+        mso-ansi-font-style:normal;}
 @list l5:level3
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l5:level4
-        {mso-level-tab-stop:none;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
 @list l5:level5
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
+        {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
 @list l5:level6
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l5:level7
-        {mso-level-tab-stop:none;
+        {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
 @list l5:level8
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
+        {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
 @list l5:level9
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l6
         {mso-list-id:424421782;
@@ -1373 +1375 @@
         text-indent:-.25in;}
 @list l10
-        {mso-list-id:690492538;
-        mso-list-type:hybrid;
-        mso-list-template-ids:-2121505406 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l10:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level3
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
-@list l10:level4
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level5
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level6
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
-@list l10:level7
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level8
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10:level9
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        text-indent:-9.0pt;}
-@list l11
         {mso-list-id:734669460;
         mso-list-type:hybrid;
         mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l10:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level2
+        {mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11
+        {mso-list-id:742676264;
+        mso-list-template-ids:713467934;}
 @list l11:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:45.0pt;
         text-indent:-.25in;}
 @list l11:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l11:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12
-        {mso-list-id:742676264;
-        mso-list-template-ids:326264828;}
-@list l12:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:1.0in;
@@ -1474 +1431 @@
         mso-ansi-font-weight:normal;
         mso-ansi-font-style:normal;}
+@list l11:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level4
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l11:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12
+        {mso-list-id:850026630;
+        mso-list-type:hybrid;
+        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l12:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level2
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l12:level3
         {mso-level-tab-stop:1.5in;
@@ -1479 +1478 @@
         text-indent:-.25in;}
 @list l12:level4
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:2.0in;
+        {mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
@@ -1630 +1628 @@
         text-indent:-.25in;}
 @list l16
-        {mso-list-id:1162892763;
+        {mso-list-id:1211770204;
         mso-list-type:hybrid;
-        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:-399582512 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l16:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:.25in;
+        text-indent:-.25in;}
+@list l16:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
         mso-level-number-position:left;
-        margin-left:1.0in;
-        text-indent:-.25in;}
-@list l16:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
+        margin-left:.75in;
         text-indent:-.25in;}
 @list l16:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:1.25in;
+        text-indent:-9.0pt;}
 @list l16:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:1.75in;
         text-indent:-.25in;}
 @list l16:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:2.25in;
         text-indent:-.25in;}
 @list l16:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:2.75in;
+        text-indent:-9.0pt;}
 @list l16:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.25in;
         text-indent:-.25in;}
 @list l16:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.75in;
         text-indent:-.25in;}
 @list l16:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:4.25in;
+        text-indent:-9.0pt;}
 @list l17
         {mso-list-id:1323200535;
@@ -1799 +1810 @@
         text-indent:-.25in;}
 @list l20
-        {mso-list-id:1574588387;
+        {mso-list-id:1413820461;
         mso-list-type:hybrid;
-        mso-list-template-ids:553137230 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:-399582512 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l20:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:.25in;
         text-indent:-.25in;}
 @list l20:level2
@@ -1810 +1822 @@
         mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:.75in;
         text-indent:-.25in;}
 @list l20:level3
@@ -1815 +1828 @@
         mso-level-tab-stop:none;
         mso-level-number-position:right;
+        margin-left:1.25in;
         text-indent:-9.0pt;}
 @list l20:level4
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:1.75in;
         text-indent:-.25in;}
 @list l20:level5
@@ -1824 +1839 @@
         mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:2.25in;
         text-indent:-.25in;}
 @list l20:level6
@@ -1829 +1845 @@
         mso-level-tab-stop:none;
         mso-level-number-position:right;
+        margin-left:2.75in;
         text-indent:-9.0pt;}
 @list l20:level7
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:3.25in;
         text-indent:-.25in;}
 @list l20:level8
@@ -1838 +1856 @@
         mso-level-tab-stop:none;
         mso-level-number-position:left;
+        margin-left:3.75in;
         text-indent:-.25in;}
 @list l20:level9
@@ -1843 +1862 @@
         mso-level-tab-stop:none;
         mso-level-number-position:right;
+        margin-left:4.25in;
         text-indent:-9.0pt;}
 @list l21
@@ -1969 +1989 @@
         text-indent:-.25in;}
 @list l24
+        {mso-list-id:1773695911;
+        mso-list-type:hybrid;
+        mso-list-template-ids:-1704541642 595615172 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l24:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:.75in;
+        text-indent:-.25in;}
+@list l24:level2
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:1.25in;
+        text-indent:-.25in;}
+@list l24:level3
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:1.75in;
+        text-indent:-9.0pt;}
+@list l24:level4
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:2.25in;
+        text-indent:-.25in;}
+@list l24:level5
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:2.75in;
+        text-indent:-.25in;}
+@list l24:level6
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:3.25in;
+        text-indent:-9.0pt;}
+@list l24:level7
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.75in;
+        text-indent:-.25in;}
+@list l24:level8
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:4.25in;
+        text-indent:-.25in;}
+@list l24:level9
+        {mso-level-number-format:roman-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:right;
+        margin-left:4.75in;
+        text-indent:-9.0pt;}
+@list l25
         {mso-list-id:2029942403;
         mso-list-template-ids:1555050902;}
-@list l24:level1
+@list l25:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level2
+@list l25:level2
         {mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level3
+@list l25:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level4
+@list l25:level4
         {mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level5
+@list l25:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level6
+@list l25:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level7
+@list l25:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level8
+@list l25:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l24:level9
+@list l25:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25
+@list l26
         {mso-list-id:2095858496;
         mso-list-type:hybrid;
         mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l25:level1
+@list l26:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level2
+@list l26:level2
         {mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level3
+@list l26:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level4
+@list l26:level4
         {mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level5
+@list l26:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level6
+@list l26:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level7
+@list l26:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level8
+@list l26:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level9
+@list l26:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26
+@list l27
         {mso-list-id:2114591880;
         mso-list-template-ids:-445226636;}
-@list l26:level1
+@list l27:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level2
+@list l27:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level3
+@list l27:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level4
+@list l27:level4
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level5
+@list l27:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level6
+@list l27:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level7
+@list l27:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level8
+@list l27:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26:level9
+@list l27:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
@@ -2256 +2331 @@
 class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
 of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
-to e.g. name.gpx to overwrite the current version. Otherwise you may get
+to e.g. name.gpx to overwrite the current version. Otherwise you will get
 backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
 
@@ -2309 +2384 @@
 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'>Read image data&#8230; - Read in 2-D powder
-diffraction images (multiple patterns can be selected). GSAS-II can read many
-different image file</b> formats including MAR345 files, Quantum ADSC files,
+style='mso-bidi-font-weight:normal'>Read image data&#8230; - </b>Read in 2-D
+powder diffraction images (multiple patterns can be selected). GSAS-II can read
+many different image file formats including MAR345 files, Quantum ADSC files,
 and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
 formats have data fields that should contain relevant information for the
@@ -2331 +2406 @@
 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'>Sum powder data</b> - </p>
+style='mso-bidi-font-weight:normal'>Sum powder data</b> &#8211; Form the sum of
+previously read powder patterns; each with a multiplier. Can be used to
+accumulate data, subtract background or empty container patterns, etc. Patterns
+used to form the sum must be of identical range and step size. Result is a new
+PWDR entry in the GSAS-II data tree.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2337 +2416 @@
 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'>Sum image data</b> - </p>
+style='mso-bidi-font-weight:normal'>Sum image data</b> &#8211; Form the sum of
+previously read 2-D images; each with a multiplier. Can be used to accumulate
+data, subtract background or empty container patterns, etc. Images used to form
+the sum must be of identical size and source. Result is a new IMG entry in the
+GSAS-II data tree, and a GSAS-II image file is written for future use.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2365 +2448 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Rename data</b> &#8211; This might be a bad
-idea!!</p>
+idea!! Don&#8217;t use this unless the data to be renamed has not been used
+anywhere in GSAS-II, e.g. only rename freshly read data.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2386 +2470 @@
 pair distribution function (PDF) controls for each powder pattern selected in
 the dialog box. See <b style='mso-bidi-font-weight:normal'><span
-style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
-Controls</a></span></b> for further directions.</p>
+style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b>
+for further directions.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2406 +2490 @@
 class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
 atom in the <span class=SpellE>zeroth</span> phase while shift names have a
-&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
+&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. Press the window exit
+button to exit this dialog box.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2428 +2513 @@
 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]>Menu
-&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
+&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; A sub
+menu appears with choices for import of data. Each entry when selected with the
+mouse shows further submenus with specific imports that are available. Any of
+these files can be accessed from a zip file.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2458 +2546 @@
 macromolecular phase information from a Protein Data Base file (name.PDB or
 name.ENT). The file name is found in a directory dialog; you can change
-directories as needed. Only .PDB or .ENT file names are shown. Be careful that
-the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
-follows the GSAS-II conventions (e.g. with spaces between axial fields). A
-dialog box is shown with the proposed phase name. You can change it if desired.</p>
+directories as needed. Only .PDB (or .<span class=SpellE>pdb</span>) or .ENT
+(or .<span class=SpellE>ent</span>) file names are shown. Be careful that the
+space group symbol on the &#8216;CRYST1&#8217; record in the PDB file follows
+the GSAS-II conventions (e.g. with spaces between axial fields). A dialog box
+is shown with the proposed phase name. You can change it if desired.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2484 +2573 @@
 class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b
 style='mso-bidi-font-weight:normal'> GSAS-II <span class=SpellE>gpx</span> file</b>
-This reads one phase from a GSAS-II project file (name.GPX). The file name is
-found in a directory dialog; you can change directories as needed. Only .GPX
-(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
-has more than one phase, a dialog is shown with the choices; only one can be
-chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
-normal'>Import/Phase/from GSAS-II <span class=SpellE>gpx</span> file</b>
-command. After selecting a phase, a dialog box is shown with the proposed phase
-name. You can change it if desired.</p>
+This reads one phase from a GSAS-II project file (<span class=SpellE>name.gpx</span>).
+The file name is found in a directory dialog; you can change directories as
+needed. Only .<span class=SpellE>gpx</span> (or .GPX) file names are shown. If
+the selected file has more than one phase, a dialog is shown with the choices;
+only one can be chosen. If you want more than one, redo the <b
+style='mso-bidi-font-weight:normal'>Import/Phase/from GSAS-II <span
+class=SpellE>gpx</span> file</b> command. After selecting a phase, a dialog box
+is shown with the proposed phase name. You can change it if desired.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2506 +2595 @@
 style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Powder
-Data &#8211; <o:p></o:p></b></p>
+Data </b>&#8211; results are<b style='mso-bidi-font-weight:normal'> </b>placed
+in the GSAS-II<b style='mso-bidi-font-weight:normal'> </b>data tree as
+&#8216;PWDR file name&#8217;.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2512 +2603 @@
 style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>from
-CIF file <o:p></o:p></b></p>
+</span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> CIF file </b>This
+reads one powder pattern (histogram) from a Crystallographic Information File (<span
+class=SpellE>name.CIF</span>). The file name is found in a directory dialog;
+you can change directories as needed. Only .CIF (or .<span class=SpellE>cif</span>)
+file names are shown. If the selected file has more than one powder pattern, a
+dialog is shown with the choices; only one can be chosen. If you want more than
+one, redo the <b style='mso-bidi-font-weight:normal'>Import/Powder Data/from
+CIF</b> <b style='mso-bidi-font-weight:normal'>file</b> command. <b
+style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2519 +2618 @@
 style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>from
-GSAS file <o:p></o:p></b></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
-style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>from <span
-class=SpellE>Topas</span> <span class=SpellE>xye</span> file <o:p></o:p></b></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![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]><span
-class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b
-style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read
-one powder diffraction pattern (histogram) from a file trying the formats as
-described above.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
-style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>Structure
-Factor &#8211; <o:p></o:p></b></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
-style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>from
-HKL file<o:p></o:p></b></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
-style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>from
-CIF file<o:p></o:p></b></p>
+</span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> GSAS file </b>This
+reads powder patterns (histograms) from the defined GSAS format powder data
+files. GSAS file types STD, ESD, FXY and FXYE are recognized. Neutron TOF data
+with a &#8216;TIME-MAP&#8217; are also recognized. The file names are found in
+a directory dialog; you can change directories as needed. If the selected files
+have more than one powder pattern, a dialog is shown with the choices. <b
+style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2564 +2632 @@
 style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> <span
+class=SpellE>Topas</span> <span class=SpellE>xye</span> file </b>This reads
+powder patterns (histograms) from the defined <span class=SpellE>topas</span> <span
+class=SpellE>xye</span> format powder data files. This format is a simple
+3-column (2-theta, intensity &amp; sig) text file. The file names are found in
+a directory dialog; you can change directories as needed. <b style='mso-bidi-font-weight:
+normal'><o:p></o:p></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![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]><span
+class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b
+style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read
+one powder diffraction pattern (histogram) from a file trying the formats as
+described above.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
+style='mso-bidi-font-weight:normal'><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></b><![endif]><b style='mso-bidi-font-weight:normal'>Structure
+Factor &#8211; </b>&#8211; results are<b style='mso-bidi-font-weight:normal'> </b>placed
+in the GSAS-II<b style='mso-bidi-font-weight:normal'> </b>data tree as
+&#8216;HKLF file name&#8217;.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
+style='mso-bidi-font-weight:normal'><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></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> F**2 HKL file </b>This
+reads structure factors (as F**2) and sig(F**2) from a SHELX format .<span
+class=SpellE>hkl</span> file. The file names are found in a directory dialog;
+you can change directories as needed. You must know this is the content of this
+file as it will have no internal indication of its contents.<b
+style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
+style='mso-bidi-font-weight:normal'><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></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> F HKL file</b>
+This reads structure factors (as F) and sig(F) from a SHELX format .<span
+class=SpellE>hkl</span> file. The file names are found in a directory dialog;
+you can change directories as needed. You must know this is the content of this
+file as it will have no internal indication of its contents.<b
+style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
+style='mso-bidi-font-weight:normal'><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></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> CIF file</b>
+This reads structure factors (as F**2 or F) and sig(F**2 or F) from a .CIF (or
+.<span class=SpellE>cif</span>) or .FCF (or .<span class=SpellE>fcf</span>)
+format file. The file names are found in a directory dialog; you can change
+directories as needed. The internal structure of this file indicates in which
+form the structure factors are used.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l14 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
+style='mso-bidi-font-weight:normal'><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></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
 normal'>guess</b></span><b style='mso-bidi-font-weight:normal'> format from
 file</b> This attempts to read one set of single crystal structure factors from
-a file trying the formats as described above.<b style='mso-bidi-font-weight:
-normal'><o:p></o:p></b></p>
+a file trying the formats as described above. One should not use this for SHELX
+format files as the form of the structure factors is not indicated from within
+the file.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
@@ -2578 +2714 @@
 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'>Export Powder Patterns&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - not yet
+implemented</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2584 +2721 @@
 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'>Export All Peak Lists&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export All Peak <span class=GramE>Lists</span>&#8230;</b>
+- This writes the contents of the Peak List for all PWDR data onto a simple
+text file. There will be a heading for each PWDR GSAS-II tree item and columns
+of values for position, intensity, sigma and gamma follow.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2590 +2730 @@
 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'>Export HKLs&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - not yet
+implemented</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2596 +2737 @@
 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'>Export PDF&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - This writes two
+simple text files name.gr and <span class=SpellE>name.sq</span> containing g(r)
+and s(q), respectively as 2 <span class=SpellE>colums</span> of data; a header
+on each indicated the source file name and the column headings. The name comes
+from the PDF entry in the GSAS-II data tree.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2602 +2747 @@
 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'>Export Phase&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - not yet
+implemented</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
@@ -2608 +2754 @@
 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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
+style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - not yet implemented</p>
 
 <div class=MsoNormal align=center style='text-align:center'><span
@@ -2640 +2786 @@
 window provides a place for you to enter whatever text commentary you wish.
 Each time you enter this window, a date/time entry is provided for you. A
-possibly useful technique is to select a portion of the console window after a
-refinement completes (it will contain refinement results with residuals, new
-values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
-window so it becomes a part of your project file.<o:p></o:p></span></p>
+possibly useful technique is to select a portion of the <span class=SpellE>project.lst</span>
+file after a refinement completes (it will contain refinement results with
+residuals, new values &amp; <span class=SpellE>esds</span>) and paste it into
+this Notebook window so it becomes a part of your project file.<o:p></o:p></span></p>
 
 <h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
@@ -2649 +2795 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window provides the main controls for the major calculations in GSAS-II. At
-present only Refinement Controls are presented. <o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
-of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
+window provides the main controls for the refinement calculations in GSAS-II.
+Two of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
 MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
 algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
@@ -2667 +2810 @@
 Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
 &amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
-algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+algorithm and is the default.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
@@ -2686 +2829 @@
 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"'>Select &#8216;Min delta-M/M&#8217;
-for convergence; the refinement will stop when the change in the minimization
-function is less than this value. Set Min delta-M/M = 1.0 to force just a
-single cycle to be performed. A value less than 10<sup>-4</sup> (the default)
-generally gives no better result. The allowed range is 10<sup>-9</sup> to 1.0.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
+delta-M/M&#8217; for convergence; the refinement will stop when the change in
+the minimization function is less than this value. Set Min delta-M/M = 1.0 to
+force just a single cycle to be performed. A value less than 10<sup>-4</sup>
+(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
+to 1.0.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
@@ -2725 +2869 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
-shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
+window contains final residual information; the GSASII Plots window &#8216;<a
+href="#Covariance">Covariance&#8217;</a> shows a graphical representation of
+the variance-covariance matrix <o:p></o:p></span></p>
 
 <h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
@@ -2734 +2879 @@
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
 window shows the constraints to be used in a refinement. It is organized into
-three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
-parameters that describe aspects of the crystalline phases to be used in the
-refinement (e.g. atom coordinates, thermal motion and site fraction
-parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
-aspects of the pattern that depend on both the phase and the data set used in
-the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
+three tabbed pages. &#8216;Phase constraints&#8217; contain those involving parameters
+that describe aspects of the crystalline phases to be used in the refinement
+(e.g. atom coordinates, thermal motion and site fraction parameters).
+&#8216;Histogram/Phase constraints&#8217; are those which describe aspects of
+the pattern that depend on both the phase and the data set used in the
+refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
 "Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
 and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
@@ -2752 +2897 @@
 style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
 parameter types you wish to constrain. Each will have the same possibilities in
-the &#8216;Edit menu.<o:p></o:p></span></p>
+the &#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217;</b> menu.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo3'><![if !supportLists]><span
@@ -2812 +2957 @@
 M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
 multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
-the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
-constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
+the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a constraint.
+A Delete button can be used to remove it.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
@@ -2831 +2976 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window is empty<o:p></o:p></span></p>
+window shows the restraints to be used in a refinement. It is organized into
+several tabbed pages, one page for each type of restraint. Restraints are developed
+for an individual phase and act as additional observations to be
+&#8220;fitted&#8221; during the refinement.<o:p></o:p></span></p>
 
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
 
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
-just yet<o:p></o:p></span></p>
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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"'>Select the tab for the
+restraint type you wish to use. Each will have the same possibilities in the
+&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217;</b> menu.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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"'>You can change the <b
+style='mso-bidi-font-weight:normal'>Restraint weight factor</b> &#8211; this is
+used to scale the weights for the entire set of restraints of this type.
+Default value for the weight factor is 1.0.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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]><span
+style='mso-fareast-font-family:"Times New Roman"'>You can choose to use or not
+use the restraints in subsequent refinements. Default is to use the restraints.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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]><span
+style='mso-fareast-font-family:"Times New Roman"'>You can change the search
+range used to find the bonds/angles that meet your criteria for restraint.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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]><span
+style='mso-fareast-font-family:"Times New Roman"'>You can examine the table of
+restraints and change individual values; grayed out regions cannot be changed.
+The &#8216;<span class=SpellE>calc</span>&#8217; values are determined from the
+atom positions in your structure, &#8216;<span class=SpellE>obs</span>&#8217;
+values are the target values for the restraint and &#8216;<span class=SpellE>esd</span>&#8217;
+is the uncertainty used to weight the restraint in the refinement (multiplied
+by the weight factor).<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![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]><span
+style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
+style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; some entries may be
+grayed out if not appropriate for your phase or for the selected restraint.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Select
+phase</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; active if there is more than one phase in your project. A dialog box
+will appear with a list of the phases, select the one you want for restraint
+development.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Add
+restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; this takes you through a sequence of dialog boxes which ask for the
+identities of the atoms involved in the restraint and the value to be assigned
+to the restraint. The <span class=SpellE>esd</span> is given a default value
+which can be changed after the restraints are created.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Add
+residue restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; if the phase is a &#8216;macromolecule&#8217; then develop the
+restraints from a selected &#8216;macro&#8217; file based on those used in GSAS
+for this purpose. A file dialog box is shown directed to /<span class=SpellE>GSASIImacros</span>;
+be sure to select the correct file.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Plot
+residue restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; if the phase is a &#8216;macromolecule&#8217; and the restraint type is
+either &#8216;<b style='mso-bidi-font-weight:normal'>Torsion restraints</b>&#8217;
+or &#8216;<span class=SpellE><b style='mso-bidi-font-weight:normal'>Ramachandran</b></span><b
+style='mso-bidi-font-weight:normal'> restraints</b>&#8217;, then a plot will be
+made of the restraint distribution; torsions as 1-D plots of angle vs. <span
+class=SpellE>pseudopotential</span> energy and <span class=SpellE>Ramachandran</span>
+ones as 2-D plot of psi <span class=SpellE>vs</span> phi. In each case a dialog
+box will appear asking for the residue types or specific torsion angles to
+plot. Each plot will show the observed distribution (blue) obtained from a wide
+variety of high resolution protein structures and those found (red dots) for
+your structure. The restraints are based on a <span class=SpellE>pseudopotential</span>
+(red curve or contours &#8211; favorable values at the peaks) which has been
+developed from the observed distributions for each residue type.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Change
+value</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; this changes the &#8216;<span class=SpellE>obsd</span>&#8217; value for
+selected restraints; a dialog box will appear asking for the new value. <o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![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; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
+<span class=SpellE>esd</span></span></b><span style='mso-fareast-font-family:
+"Times New Roman"'> &#8211; this changes the &#8216;<span class=SpellE>esd</span>&#8217;
+value for selected restraints; a dialog box will appear asking for the new
+value.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
+text-indent:-.25in;mso-list:l12 level2 lfo4'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Delete
+restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
+&#8211; this deletes selected restraints from the list. A single click in the
+blank box in the upper left corner of the table will select/deselect all
+restraints.<o:p></o:p></span></p>
 
 <h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
@@ -2843 +3114 @@
 <p class=MsoNormal>In this window is tabulated the results of your sequential
 refinement. The columns are the parameter names; the naming convention is
-&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
-h is the histogram number, name is the parameter name, and num (if needed) is
-the item number (e.g. atom number). The rows are the data sets used in the
-sequential refinement.</p>
+&#8216;p:h:name:n&#8217; where &#8216;p&#8217; is the phase number,&#8217;
+h&#8217; is the histogram number, &#8216;name&#8217; is the parameter name, and
+&#8216;n&#8217; (if needed) is the item number (e.g. atom number). The rows are
+the data sets used in the sequential refinement.</p>
 
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
 
-<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
+<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo25'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'><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";color:windowtext'>Select a row</span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'> &#8211; this will display the
+variance-covariance matrix for the refinement with that data set.<o:p></o:p></span></h5>
+
+<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo25'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'><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";color:windowtext'>Select a
+column</span><span style='mso-fareast-font-family:"Times New Roman";color:windowtext;
+font-weight:normal;mso-bidi-font-weight:bold'> &#8211; this will display a plot
+of that parameter across the sequence of data sets. Error bars for each value
+are also shown.<o:p></o:p></span></h5>
+
+<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo25'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>3.<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";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'>Menu &#8216;</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext'>File&#8217; &#8211; </span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'><o:p></o:p></span></h5>
+
+<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l24 level2 lfo25'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Save</span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'> &#8211; this will create a text file of
+selected columns with values and corresponding <span class=SpellE>esds</span>.
+A file dialog box will appear; give a suitable file name; you may change
+directory if desired.<o:p></o:p></span></h5>
 
 <h3>Histograms</h3>
 
 <p class=MsoNormal>These are shown in the data tree with a prefix of
-&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
-&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
-constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
-analysis. Selection of these items does not produce any information in the data
-window but does display the data in the Plots Window. They are described below.</p>
+&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, or &#8216;PDF&#8217;
+and usually a file name. These constitute the data sets
+(&#8216;Histograms&#8217;) to be used by GSAS-II for analysis. Selection of
+these items does not produce any information in the data window but does
+display the data in the Plots Window. They are described below.</p>
 
 <h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
@@ -2865 +3174 @@
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
 a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
-href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data tree</span></a><span
-style='mso-fareast-font-family:"Times New Roman"'>, a variety of subcategories
-in the tree are shown. The items that are shown depend on the data set type.
-Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
+href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
+tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
+variety of subcategories in the tree are shown. The items that are shown depend
+on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
 
 <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
 
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l24 level1 lfo4'><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l25 level1 lfo5'><span
 style='mso-bookmark:Comments'><![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;
@@ -2880 +3189 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l22 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l22 level1 lfo6'><span style='mso-bookmark:Comments'><![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
@@ -2901 +3210 @@
 whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
 file was read by GSAS-II. If you are lucky, there will be useful information
-here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
-will be blank. The text is read-only in that anything you try to enter here is
-not saved.</span></p>
+here (e.g. sample name, date collected, wavelength used, etc.). If not, this
+window will be blank. The text is read-only.</span></p>
 
 <span style='mso-bookmark:Comments'></span>
@@ -2918 +3226 @@
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
 
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo7'><![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"'>You can change <span
 class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
-&#8216;changed&#8217; row as needed. Use the mouse to select the value to be changed
-(the background on the box will be blue or have a black border or a vertical
-bar will appear in the value), then enter the new value and press Enter or
-click the mouse elsewhere in the Background window. This will set the new
-value.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
+&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
+changed (the background on the box will be blue or have a black border or a
+vertical bar will appear in the value), then enter the new value and press
+Enter or click the mouse elsewhere in the Background window. This will set the
+new value.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo7'><![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
@@ -2939 +3247 @@
 &#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo6'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo7'><![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]><span
@@ -2946 +3254 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l4 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l4 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
@@ -2970 +3278 @@
 &#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
 interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
-interpolate&#8217;). The latter three select fixed points with spacing that is <span
-class=GramE>either equal</span>, inversely equal or equal on a log scale of the
-x-coordinate. The set of magnitudes at each point then comprise the background
-variables. All are refined when refine is selected.<o:p></o:p></span></p>
+interpolate&#8217;). The latter three select fixed points with spacing that is equal,
+inversely equal or equal on a log scale of the x-coordinate. The set of
+magnitudes at each point then comprise the background variables. All are
+refined when refine is selected.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
@@ -3034 +3342 @@
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
 
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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
@@ -3041 +3349 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo8'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo9'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
-background parameters shown to other selected powder patterns. If used, a
-dialog box (Copy Parameters) will appear showing the list of available powder
-patterns, you can copy the background parameters to any or all of them; select
-&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
-do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo8'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the background
+parameters shown to other selected powder patterns. If used, a dialog box (Copy
+Parameters) will appear showing the list of available powder patterns, you can
+copy the background parameters to any or all of them; select &#8216;All&#8217;
+to copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
+&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l3 level1 lfo9'><![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
@@ -3062 +3370 @@
 appear showing the list of available powder patterns, you can copy the
 refinement flags to any or all of them; select &#8216;All&#8217; to copy them
-to all patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217;
-to cancel the operation.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+to all patterns. Then select &#8216;OK&#8217; to do the copy;
+&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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
@@ -3071 +3379 @@
 Background function from the pull down tab.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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]><span
@@ -3077 +3385 @@
 refine the background coefficients.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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]><span
@@ -3083 +3391 @@
 background coefficients to be used (1-36).<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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]><span
@@ -3090 +3398 @@
 mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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]><span
@@ -3099 +3407 @@
 with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![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;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
@@ -3112 +3420 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo9'><![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"'>Menu &#8216;<b
-style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;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'><span style='mso-fareast-font-family:"Times New Roman"'>Load
-profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
-loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
-replacing the existing instrument parameter values. All refinement flags are
-unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;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
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
-profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
-the current instrument parameter values in a simple text file (<span
-class=SpellE>name.instprm</span>); you will be prompted for the file name
-&#8211; do not change the extension. This file may be edited but heed the
-warning to not change the parameter names, the order of the parameter records
-or add new parameter records as this will invalidate the file. You may only change
-the numeric values if necessary. You can change or add comment records (begins
-with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;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
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
-profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
-resets the values for the instrument parameters to the default values shown in
-parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;tab-stops:list 1.0in'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
-instrument parameters shown to other selected powder patterns. If used, a
-dialog box (Copy parameters) will appear showing the list of available powder
+window shows the instrument parameters for the selected powder data set. The
+plot window shows the corresponding resolution curves. Solid lines are for the
+default values (in parentheses), dashed lines from the refined values and &#8216;+&#8217;
+for individual entries in the &#8216;<span class=SpellE><span style='color:
+#0070C0'><a href="#Peak_List">Peak_List</a></span></span></span></p>
+
+<span style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
+"Times New Roman";color:#0070C0;mso-ansi-language:EN-US;mso-fareast-language:
+EN-US;mso-bidi-language:AR-SA'>&#8217;</span><span style='font-size:12.0pt;
+font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman";
+mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA'>.<o:p></o:p></span>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><span
+style='color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do
+here?</span><span style='color:#00B0F0;text-decoration:none;text-underline:
+none'><o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo10'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217;
+&#8211;<o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Peak_List"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Load profile&#8230; </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>- loads a GSAS-II
+instrument parameter file (<span class=SpellE>name.instprm</span>), replacing
+the existing instrument parameter values. All refinement flags are unset.</span><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Peak_List"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Save profile&#8230; - </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>saves the current
+instrument parameter values in a simple text file (<span class=SpellE>name.instprm</span>);
+you will be prompted for the file name &#8211; do not change the extension.
+This file may be edited but heed the warning to not change the parameter names,
+the order of the parameter records or add new parameter records as this will
+invalidate the file. You may only change the numeric values if necessary. You
+can change or add comment records (begins with &#8216;#&#8217;).</span><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Peak_List"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Reset profile </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; resets the
+values for the instrument parameters to the default values shown in parentheses
+for each entry.</span><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Peak_List"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Copy</span><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'> &#8211; this copies the
+instrument parameters shown to other selected powder patterns. If used, a dialog
+box (Copy parameters) will appear showing the list of available powder
 patterns, you can copy the instrument parameters to any or all of them; select
 &#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
@@ -3168 +3504 @@
 work for instrument parameters that are commensurate with the one that is
 shown, e.g. single radiation patterns will not be updated from K</span><sub><span
-style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
-style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;tab-stops:list 1.0in'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
-flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
-&#8211; this copies the instrument parameter refinement flags shown to other
-selected powder patterns. If used, a dialog box (Copy refinement flags) will
-appear showing the list of available powder patterns, you can copy the
-instrument parameter refinement flags to any or all of them; select
-&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
-do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
-work for instrument parameters that are commensurate with the one that is
-shown, e.g. single radiation patterns will not be updated from K</span><sub><span
-style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
-style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo10;tab-stops:list 1.0in'><![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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
-radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; this changes the radiation between single wavelength (e.g. for
-synchrotron source) and K</span><sub><span style='font-family:Symbol;
-mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
-style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
-style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
-style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
-laboratory tube source).<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo9'><![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"'>You can change any of the
-profile coefficients<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l11 level1 lfo9'><![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]><span
-style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
-profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
-circumstances some choices are ignored e.g. Zero is not refined during peak
-fitting. Also some choices may lead to unstable refinement, e.g. <span
-class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
-&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
-style='mso-fareast-font-family:"Times New Roman"'> display for highly
-correlated parameters.<o:p></o:p></span></p>
+style='font-family:Symbol;color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'>a</span></sub><sub><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>1</span></sub><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>/K</span><sub><span style='font-family:Symbol;color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>a</span></sub><sub><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>2</span></sub><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> ones.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Peak_List"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Copy flags </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>- &#8211; this
+copies the instrument parameter refinement flags shown to other selected powder
+patterns. If used, a dialog box (Copy refinement flags) will appear showing the
+list of available powder patterns, you can copy the instrument parameter
+refinement flags to any or all of them; select &#8216;All&#8217; to copy them
+to all patterns. Then select &#8216;OK&#8217; to do the copy;
+&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
+instrument parameters that are commensurate with the one that is shown, e.g.
+single radiation patterns will not be updated from K</span><sub><span
+style='font-family:Symbol;color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'>a</span></sub><sub><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>1</span></sub><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>/K</span><sub><span style='font-family:Symbol;color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>a</span></sub><sub><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>2</span></sub><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> ones.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo10'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><![if !supportLists]><span
+style='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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>You can change any of the profile coefficients<o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo10'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Peak_List"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>You can choose to refine any profile coefficients. <b
+style='mso-bidi-font-weight:normal'>NB</b>: In certain circumstances some
+choices are ignored e.g. Zero is not refined during peak fitting. Also some
+choices may lead to unstable refinement, e.g. <span class=GramE>Lam</span>
+refinement and lattice parameter refinement. Examine the &#8216;</span><span
+style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast;
+color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><u><span
+style='mso-fareast-font-family:"Times New Roman";color:blue'>Covariance&#8217;</span></u></span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'> display for
+highly correlated parameters.<o:p></o:p></span></a></span></p>
 
 <h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
-"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window show the various sample dependent parameters for this powder pattern.
-The presence of a refine button indicates which can be refined while others are
-fixed. All values can be changed in this window.<o:p></o:p></span></p>
-
-<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
-Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
-do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
-style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
-
-<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo11'><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
+"Times New Roman"'><a href="#Covariance"><span style='color:#4F81BD;mso-themecolor:
+accent1'>Sample Parameters<o:p></o:p></span></a></span></u></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Covariance"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>This window show the various sample dependent parameters
+for this powder pattern. The presence of a refine button indicates which can be
+refined while others are fixed. All values can be changed in this window. NB:
+for powder data <span class=GramE>be</span> sure the correct instrument type is
+selected (<b style='mso-bidi-font-weight:normal'>Debye-Scherrer</b> or <b
+style='mso-bidi-font-weight:normal'>Bragg-Brentano</b>).<o:p></o:p></span></a></span></p>
+
+<h5><a name="Powder_Peaks"></a><a href="#Covariance"><span style='mso-bookmark:
+Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do here?</span></span><span
+style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l8 level1 lfo12'><span
+style='mso-bookmark:Powder_Peaks'></span><a href="#Covariance"><span
+style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
+bold;text-decoration:none;text-underline:none'><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";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>Menu
+&#8216;</span></span><span style='mso-bookmark:Powder_Peaks'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>File&#8217;</span></span><span style='mso-bookmark:
+Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> &#8211; <o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo12;
+tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Load</span></span><span
+style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> &#8211; this loads sample parameters from a
+previously saved .<span class=SpellE>samprm</span> file.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l8 level2 lfo12;
+tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
+normal;mso-bidi-font-weight:bold;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><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Save</span></span><span
+style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> &#8211; this saves the sample parameters to a file
+with the extension &#8217;.<span class=SpellE>samprm</span>&#8217;. A file
+dialog box will appear to ask for the file name.<o:p></o:p></span></span></a></h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l8 level2 lfo11;tab-stops:list 1.0in'><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
-sample parameters shown to other selected powder patterns. If used, a dialog
-box (Copy parameters) will appear showing the list of available powder
-patterns, you can copy the sample parameters to any or all of them; select
-&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
-do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
+text-indent:-.25in;mso-list:l8 level2 lfo12;tab-stops:list 1.0in'><span
+style='mso-bookmark:Powder_Peaks'></span><a href="#Covariance"><span
+style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Copy</span></b></span><span style='mso-bookmark:Powder_Peaks'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'> &#8211; this copies the sample parameters shown to
+other selected powder patterns. If used, a dialog box (Copy parameters) will
+appear showing the list of available powder patterns, you can copy the sample
+parameters to any or all of them; select &#8216;All&#8217; to copy them to all
+patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to
+cancel the operation. <o:p></o:p></span></span></a></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l8 level2 lfo11;tab-stops:list 1.0in'><span
-style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
-flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
-style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
-- &#8211; this copies the sample parameter refinement flags shown to other
-selected powder patterns. If used, a dialog box (Copy refinement flags) will
-appear showing the list of available powder patterns, you can copy the sample
-parameter refinement flags to any or all of them; select &#8216;All&#8217; to
-copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
-&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
-
-<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
-style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window shows the list of peaks that will be used by the peak fitting
-refinement. It is filled by picking peaks in the powder pattern displayed in
-the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
-
-<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
-style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
-can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo12'><span
+text-indent:-.25in;mso-list:l8 level2 lfo12;tab-stops:list 1.0in'><span
+style='mso-bookmark:Powder_Peaks'></span><a href="#Covariance"><span
+style='mso-bookmark:Powder_Peaks'><![if !supportLists]><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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Copy flags</span></b></span><span style='mso-bookmark:
+Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> - &#8211; this
+copies the sample parameter refinement flags shown to other selected powder
+patterns. If used, a dialog box (Copy refinement flags) will appear showing the
+list of available powder patterns, you can copy the sample parameter refinement
+flags to any or all of them; select &#8216;All&#8217; to copy them to all
+patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to
+cancel the operation. <o:p></o:p></span></span></a></p>
+
+<h4><span style='mso-bookmark:Powder_Peaks'><a name="_Ref350849079"></a><a
+name="Peak_List"></a></span><a href="#Covariance"><span style='mso-bookmark:
+Powder_Peaks'><span style='mso-bookmark:_Ref350849079'><span style='mso-fareast-font-family:
+"Times New Roman";color:#4F81BD;mso-themecolor:accent1;text-decoration:none;
+text-underline:none'>Peak List</span></span></span><span style='mso-fareast-font-family:
+"Times New Roman";color:#4F81BD;mso-themecolor:accent1;text-decoration:none;
+text-underline:none'><o:p></o:p></span></a></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Covariance"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>This window shows the list of peaks that will be used by
+the peak fitting refinement. It is filled by picking peaks in the powder
+pattern displayed in the GSASII Plots window as a sequence of &#8216;+&#8217;
+marks.<o:p></o:p></span></a></span></p>
+
+<h5><a name="Index_Peaks"></a><a href="#Covariance"><span style='mso-bookmark:
+Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";color:#4F4FFF;
+text-decoration:none;text-underline:none'>What can I do here? </span></span><span
+style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo13'><span
+style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
-bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+bold;text-decoration:none;text-underline:none'><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";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>Menu
+&#8216;</span></span><span style='mso-bookmark:Index_Peaks'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Peak Fitting</span></span><span style='mso-bookmark:
+Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";color:windowtext;
+font-weight:normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:
+none'>&#8217; &#8211; <o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
+color:windowtext;text-decoration:none;text-underline:none'>Auto search</span></span><span
 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> &#8211; this fills the table with peak positions.
+These are selected based on peak tops that are substantially above background.
+Noisy data will give spurious peaks and small peaks or shoulders will not be
+found. Examine results &amp; modify as needed.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l12 level2 lfo12;
-tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+normal;mso-bidi-font-weight:bold;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><![endif]><span class=SpellE><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'>UnDo</span></span></span><span
+style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> &#8211; resets peak parameters, background and
+instrument parameter values varied in the last peak fitting refinement back to
+their original values. Use this to recover from a failed refinement. Note:<span
+style='mso-spacerun:yes'>&nbsp; </span>there is only a single level of recovery
+available.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
-style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
-peak parameters, background and instrument parameter values varied in the last
-peak fitting refinement back to their original values. Use this to recover from
-a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
-only a single level of recovery available.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l12 level2 lfo12;
-tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<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";color:windowtext'>LSQ <span
+normal;mso-bidi-font-weight:bold;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><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>LSQ <span
 class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
-peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
-background parameters and instrument parameters with refine checked will be
-varied in this refinement. The refinement will proceed until convergence. We
-suggest you vary the intensity along with the background first (the default),
-then vary the position and instrument parameters after. The order will depend
-on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
-&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
-difference curve displayed in the GSASII Plots window. If individual peaks show
-peak widths that are widely different, their individual sigma and gamma
-parameters may be refined. If the refinement results in negative peak
-coefficients, these will be highlighted in red. If this happens, you should </span></span><span
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>
+&#8211; perform a least squares fit of the peaks in <span class=SpellE>PeakList</span>
+to the data. Any peak parameters, background parameters and instrument
+parameters with refine checked will be varied in this refinement. The
+refinement will proceed until convergence. We suggest you vary the intensity
+along with the background first (the default), then vary the position and
+instrument parameters after. The order will depend on how poor is the initial
+estimate of the instrument parameters (U, V, W, X, Y &amp; SH/L). To determine
+how to proceed, examine in detail the powder pattern difference curve displayed
+in the GSASII Plots window. If individual peaks show peak widths that are
+widely different, their individual sigma and gamma parameters may be refined.
+If the refinement results in negative peak coefficients, these will be
+highlighted in red. If this happens, you should </span></span><span
 style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
-"Times New Roman";color:windowtext'>UnDo</span></span></span><span
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'>UnDo</span></span></span><span
 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
-and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l12 level2 lfo12;
-tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'> the refinement and reconsider your choice of
+parameters to be varied.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
-cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
+normal;mso-bidi-font-weight:bold;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><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>LSQ one cycle </span></span><span
+style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'>&#8211; perform a single cycle of least squares
+refinement. This can be used in difficult cases to get a refinement started
+toward convergence.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
-squares refinement. This can be used in difficult cases to get a refinement
-started toward convergence.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l12 level2 lfo12;
-tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+normal;mso-bidi-font-weight:bold;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><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Reset sig and gam </span></span><span
+style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'>&#8211; this resets the values of sigma and gamma to
+those computed from the instrument parameters U, V, W, <span class=GramE>X</span>
+&amp; Y.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<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";color:windowtext'>Reset sig
-and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
-gamma to those computed from the instrument parameters U, V, W, <span
-class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l12 level2 lfo12;
-tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
-normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Clear peaks </span></span><span
 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
-removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo12'><span
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold;text-decoration:
+none;text-underline:none'>&#8211; this removes all the peaks from the Peak
+List.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo13'><span
+style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
-bold'><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";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
-peaks to the Peak list using the mouse on the plot by: 1) position the pointer
-near to the top point on a peak, 2) press the left mouse button. The selected
-peak will be added to the Peak List in its correct sorted order and a blue
-vertical line will be plotted on that position. Be sure that the Zoom/Pan
-buttons are not selected on the Plot window. We recommend that you begin picking
-peaks from the right side of the pattern; that way the tool tip won&#8217;t be
-in your way as you select peaks.<o:p></o:p></span></span></h5>
-
-<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo12'><span
+bold;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><![endif]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>You
+can add peaks to the Peak list using the mouse on the plot by: 1) position the
+pointer near to the top point on a peak, 2) press the left mouse button. The
+selected peak will be added to the Peak List in its correct sorted order and a
+blue vertical line will be plotted on that position. Be sure that the Zoom/Pan
+buttons are not selected on the Plot window. We recommend that you begin
+picking peaks from the right side of the pattern; that way the tool tip won&#8217;t
+be in your way as you select peaks.<o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo13'><span
+style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
-bold'><span style='mso-list:Ignore'>3.<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";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
-Peak List item using the mouse on the plot by: 1) position the pointer on the
-blue line for the peak you wish to move, 2) holding the left mouse button down,
-drag to the desired position &amp; then release the button. The peak line will
-be drawn in the new position. Be sure that the Zoom/Pan buttons are not
-selected on the Plot window.<o:p></o:p></span></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo12'><span
-style='mso-bookmark:Index_Peaks'><![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]><span style='mso-fareast-font-family:"Times New Roman"'>You
-can change individual peak coefficient values. Enter the value then press Enter
-or Tab or click the mouse elsewhere in the Peak List window. This will set the
-new value.<o:p></o:p></span></span></p>
-
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l12 level1 lfo12'><span
-style='mso-bookmark:Index_Peaks'><![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]>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; column should show in blue). Then type
-&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
-style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
-
-<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo12'><span
+bold;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>3.<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";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>You
+can move a Peak List item using the mouse on the plot by: 1) position the
+pointer on the blue line for the peak you wish to move, 2) holding the left
+mouse button down, drag to the desired position &amp; then release the button.
+The peak line will be drawn in the new position. Be sure that the Zoom/Pan
+buttons are not selected on the Plot window.<o:p></o:p></span></span></a></h5>
+
+<p class=MsoListParagraphCxSpFirst style='margin-left:45.0pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l11 level1 lfo13'><span style='mso-bookmark:
+Index_Peaks'></span><a href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>4.<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";color:windowtext;text-decoration:
+none;text-underline:none'>You can change individual peak coefficient values.
+Enter the value then press Enter or Tab or click the mouse elsewhere in the
+Peak List window. This will set the new value.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:45.0pt;mso-add-space:auto;
+text-indent:-.25in;mso-list:l11 level1 lfo13'><span style='mso-bookmark:Index_Peaks'></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>5.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>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; column should
+show in blue). Then type &#8216;y&#8217; to set the refine flags or
+&#8216;n&#8217; to clear the flags. </span></span><span style='mso-bookmark:
+Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";color:windowtext;
+text-decoration:none;text-underline:none'><o:p></o:p></span></span></a></p>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo13'><span
+style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
 "Times New Roman";color:windowtext;font-weight:normal;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-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
-peaks in the Peak List by selecting rows (should appear in blue) and then
-pressing the Delete key. You can also delete peaks using the mouse on the plot
-by positioning the pointer on the blue line for the peak to be deleted and then
-pressing the right mouse button. The blue line should vanish and the
+bold;text-decoration:none;text-underline:none'><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-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold;text-decoration:none;text-underline:none'>You
+can delete peaks in the Peak List by selecting rows (should appear in blue) and
+then pressing the Delete key. You can also delete peaks using the mouse on the
+plot by positioning the pointer on the blue line for the peak to be deleted and
+then pressing the right mouse button. The blue line should vanish and the
 corresponding peak will be removed from the Peak List. Be sure that the
-Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
-
-<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
-"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
-"Times New Roman"'><o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window shows the list of peaks that will be used for indexing (see </span><a
-href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
-Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
-It must be filled before indexing can proceed. When indexing is completed, this
-display will show the resulting <span class=SpellE>hkl</span> values for every
-indexed reflection along with the calculated d-spacing (&#8216;d-<span
-class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
-href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
-Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l25 level1 lfo13'><![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"'>Menu &#8216;<b
-style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
-style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
-positions &amp; intensities from the </span><a href="#Peak_List"><span
-style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
-style='mso-fareast-font-family:"Times New Roman"'> to make them available for
-the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
-Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
-href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
-Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
-table to the position shown here.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l25 level1 lfo13'><![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"'>You may deselect individual
-peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
+Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></a></h5>
+
+<h4><span style='mso-bookmark:Index_Peaks'><a name="Index_Peak_List"></a></span><a
+href="#Covariance"><span style='mso-bookmark:Index_Peaks'><span
+style='mso-fareast-font-family:"Times New Roman";color:#4F81BD;mso-themecolor:
+accent1;text-decoration:none;text-underline:none'>Index Peak List</span></span><span
+style='mso-fareast-font-family:"Times New Roman";color:#4F81BD;mso-themecolor:
+accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></a></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Covariance"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>This window shows the list of peaks that will be used for
+indexing (see </span><span style='mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast;color:windowtext;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'><u><span
+style='mso-fareast-font-family:"Times New Roman";color:blue'>Unit Cells List</span></u></span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>). It must be
+filled before indexing can proceed. When indexing is completed, this display
+will show the resulting <span class=SpellE>hkl</span> values for every indexed
+reflection along with the calculated d-spacing (&#8216;d-<span class=SpellE>calc</span>&#8217;)
+for the selected unit cell in </span><span style='mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast;color:windowtext;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'><u><span
+style='mso-fareast-font-family:"Times New Roman";color:blue'>Unit Cells List</span></u></span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>.<o:p></o:p></span></a></span></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Unit_Cells_List"><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'>What can I do here?<o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo14'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Unit_Cells_List"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217;
+&#8211; <b style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads
+the peak positions &amp; intensities from the </span><span style='mso-fareast-font-family:
+"Times New Roman";mso-fareast-theme-font:minor-fareast;color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'><u><span
+style='mso-fareast-font-family:"Times New Roman";color:blue'>Peak List</span></u></span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'> to make them
+available for the indexing routine. The d-<span class=SpellE>obs</span> is
+obtained from Bragg&#8217;s Law after applying the Zero correction shown on the
+</span><span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
+minor-fareast;color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'><u><span
+style='mso-fareast-font-family:"Times New Roman";color:blue'>Instrument Parameters</span></u></span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'> table to the
+position shown here.<o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l26 level1 lfo14'><span
+style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Instrument_Parameters"><![if !supportLists]><span style='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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>You may
+deselect individual peaks from indexing by unchecking the corresponding
+&#8216;use&#8217; box.<o:p></o:p></span></a></span></p>
 
 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
-style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
-"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
-"Times New Roman"'><o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window... <o:p></o:p></span></p>
-
-<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
-List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window... <o:p></o:p></span></p>
-
-<h3>Single Crystal Histograms - HKLF</h3>
-
-<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
-Functions - PDF<o:p></o:p></span></h3>
-
-<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
-Controls<o:p></o:p></span></h4>
-
-<p class=MsoNormal>This window </p>
-
-<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
-"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
-<a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) &amp; <a name="G_R"></a>G(R)<o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window... <o:p></o:p></span></p>
-
-<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
-IMG<o:p></o:p></span></h3>
-
-<h4>Image Controls<a name="Image_Controls"></a></h4>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window... <o:p></o:p></span></p>
-
-<h4><a href="#_Image_Masks"><span style='color:#4F81BD;mso-themecolor:accent1;
-text-decoration:none;text-underline:none'>Image Ma<span style='mso-bookmark:
-Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
+style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Instrument_Parameters"><span style='mso-bookmark:Cell_Indexing_Refine'><span
+style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
+none'>Unit Cells List</span></span><span style='color:#4F81BD;mso-themecolor:
+accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></a></span></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Instrument_Parameters"><span style='color:windowtext;text-decoration:
+none;text-underline:none'>This window shows the controls and results from
+indexing of the peaks in the <span style='mso-field-code:" HYPERLINK  \\l \0022Index_Peak_List\0022 "'><span
+class=SpellE><u><span style='color:blue'>Index_Peak_List</span></u></span></span></span><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span> REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><!--[if supportFields]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-element:field-begin'></span><span
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'><!--[if gte mso 9]><xml>
+ <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000001000000049006E006400650078005F005000650061006B005F004C006900730074000000</w:data>
+</xml><![endif]--></span><!--[if supportFields]><span style='color:windowtext;
+text-decoration:none;text-underline:none'><span style='mso-element:field-end'></span></span><![endif]--><span
+style='color:windowtext;text-decoration:none;text-underline:none'>. <o:p></o:p></span></a></span></p>
+
+<h5><a name="Reflection_List"></a><a href="#Index_Peak_List"><span
+style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do here?<o:p></o:p></span></span></a></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#Index_Peak_List"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>1.<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";
+color:windowtext;text-decoration:none;text-underline:none'>Select <span
+class=SpellE>Bravais</span> Lattices</span></b></span><span style='mso-bookmark:
+Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; the
+selected are tried for indexing the powder pattern. <o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#Index_Peak_List"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><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><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Max <span
+class=SpellE>Nc</span>/Nobs </span></b></span><span style='mso-bookmark:Reflection_List'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>&#8211; this controls the extent of the search for
+the correct indexing. This may need to be increased if an indexing trial
+terminates too quickly. It rarely needs to be changed.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#Index_Peak_List"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>3.<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'><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'>Start</span></b></span></span><span
+style='mso-bookmark:Reflection_List'><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'> Volume </span></b></span><span style='mso-bookmark:
+Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>&#8211; this sets an
+initial unit cell volume for the indexing. It rarely needs to be changed.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#Index_Peak_List"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>4.<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";color:windowtext;text-decoration:
+none;text-underline:none'>Menu<b style='mso-bidi-font-weight:normal'> &#8216;Cell
+Index/Refine&#8217; </b>&#8211; <o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l16 level2 lfo28'><span style='mso-bookmark:
+Reflection_List'></span><a href="#Index_Peak_List"><span style='mso-bookmark:
+Reflection_List'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Index Cell</span></b></span><span style='mso-bookmark:
+Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; this starts
+the indexing process. Output will appear on the console and a progress bar
+dialog will appear which tracks trial volume. A <b style='mso-bidi-font-weight:
+normal'>Cancel</b> button will terminate indexing; it may need to be pressed
+more than once to fully terminate the indexing process. Console output shows
+possible solutions with a computed <b style='mso-bidi-font-weight:normal'>M20</b>
+for each; good solutions are indicated by high <b style='mso-bidi-font-weight:
+normal'>M20</b> values. <b style='mso-bidi-font-weight:normal'>X20</b> gives number
+of <span class=SpellE>unindexed</span> lines out of the 1<sup>st</sup> 20 lines
+and <span class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'>Nc</b></span></span>
+gives total number of reflections generated for each solution.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l16 level2 lfo28'><span style='mso-bookmark:
+Reflection_List'></span><a href="#Index_Peak_List"><span style='mso-bookmark:
+Reflection_List'><![if !supportLists]><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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Copy Cell</span></b></span><span style='mso-bookmark:
+Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; this copies
+selected solution to the Unit cell values; attention is paid to the <span
+class=SpellE>Bravais</span> lattice shown for the choice and you may select a <b
+style='mso-bidi-font-weight:normal'>Space group</b> from the pull down box.
+Press <b style='mso-bidi-font-weight:normal'>Show <span class=SpellE>hkl</span>
+positions</b> to give the allowed peaks; to confirm the indexing compare these
+to peak positions and any unfitted peaks in the pattern.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l16 level2 lfo28'><span style='mso-bookmark:
+Reflection_List'></span><a href="#Index_Peak_List"><span style='mso-bookmark:
+Reflection_List'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Refine cell</span></b></span><span style='mso-bookmark:
+Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; this
+refines the copied lattice parameters and optionally the <b style='mso-bidi-font-weight:
+normal'>Zero offset. </b>The results will be placed in the <b style='mso-bidi-font-weight:
+normal'>Indexing Result</b> table with &#8216;<b style='mso-bidi-font-weight:
+normal'>use&#8217;</b> selected.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l16 level2 lfo28'><span style='mso-bookmark:
+Reflection_List'></span><a href="#Index_Peak_List"><span style='mso-bookmark:
+Reflection_List'><![if !supportLists]><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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>Make new phase</span></b></span><span
+style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; this
+creates a new phase from the selected unit cell and chosen space group. A
+dialog box will appear asking for a name for this phase. See the new entry
+under Phases and the new lattice parameters will be in the <span
+style='mso-field-code:" HYPERLINK  \\l \0022General\0022 "'><u><span
+style='color:blue'>General</span></u></span> window for that phase.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#General"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>5.<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";
+color:windowtext;text-decoration:none;text-underline:none'>Select another solution
+&#8211; </span></b></span><span style='mso-bookmark:Reflection_List'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>the plot will show (red dashed lines) the<b
+style='mso-bidi-font-weight:normal'> </b>generated reflection positions for the
+choice; compare them to the peak positions (blue lines) and any unfitted peaks
+for conformation.<o:p></o:p></span></span></a></p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l16 level1 lfo28'><span
+style='mso-bookmark:Reflection_List'></span><a href="#General"><span
+style='mso-bookmark:Reflection_List'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>6.<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";
+color:windowtext;text-decoration:none;text-underline:none'>Select &#8216;keep&#8217;
+&#8211;</span></b></span><span style='mso-bookmark:Reflection_List'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'> this preserves this solution for a subsequent
+indexing run; otherwise all solutions are erased before the indexing trial
+begins.<o:p></o:p></span></span></a></p>
+
+<h4><span style='mso-bookmark:Reflection_List'></span><a href="#General"><span
+style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
+color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'>Reflection
+List</span></span><span style='mso-fareast-font-family:"Times New Roman";
+color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'><o:p></o:p></span></a></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
+none'>This window shows the reflections for the selected phase found in this powder
+data set. It is generated by a Rietveld or Pawley refinement. <o:p></o:p></span></a></span></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
+style='color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do
+here?<o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo29'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu<b style='mso-bidi-font-weight:normal'> &#8216;Reflection
+List&#8217; </b>&#8211; <o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
+text-indent:-.25in;mso-list:l20 level2 lfo29'><span style='mso-fareast-font-family:
+"Times New Roman"'><a href="#General"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Select phase &#8211; if there is more than one phase;
+you can select another phase; the window title will show which phase is shown. <o:p></o:p></span></a></span></p>
+
+<h3><a href="#General"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>Single Crystal Histograms &#8211; HKLF</span></a></h3>
+
+<h4><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
+style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
+none'>Reflection List<o:p></o:p></span></a></span></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
+none'>This window shows the reflections for the selected phase found in this data
+set (single crystal or powder). For powder data, it is generated by a Rietveld
+or Pawley refinement. <o:p></o:p></span></a></span></p>
+
+<h3><a href="#General"><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p>&nbsp;</o:p></span></a></h3>
+
+<h3><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Pair
+Distribution Functions - PDF<o:p></o:p></span></a></span></h3>
+
+<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;text-decoration:
+none;text-underline:none'>PDF Controls<o:p></o:p></span></a></span></h4>
+
+<p class=MsoNormal><a href="#General"><span style='color:windowtext;text-decoration:
+none;text-underline:none'>This window </span></a></p>
+
+<h4><a name="I_Q"></a><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span class=GramE><span style='color:#4F81BD;mso-themecolor:
+accent1;text-decoration:none;text-underline:none'>I(</span></span><span
+style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
+none'>Q), <span style='mso-bookmark:S_Q'></span>S(Q), <span style='mso-bookmark:
+F_Q'></span>F(Q) &amp; <span style='mso-bookmark:G_R'></span>G(R)<o:p></o:p></span></a><![if !supportNestedAnchors]><a
+name="G_R"></a><a name="F_Q"></a><a name="S_Q"></a><![endif]></span></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
+none'>This window... <o:p></o:p></span></a></span></p>
+
+<h3><span style='mso-fareast-font-family:"Times New Roman"'><a href="#General"><span
+style='color:windowtext;text-decoration:none;text-underline:none'>2-D Images
+&#8211; IMG<o:p></o:p></span></a></span></h3>
+
+<h4><a href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;
+text-decoration:none;text-underline:none'>Image Controls<span style='mso-bookmark:
+Image_Controls'></span></span></a><![if !supportNestedAnchors]><a
+name="Image_Controls"></a><![endif]></h4>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#General"><span style='color:windowtext;text-decoration:none;text-underline:
+none'>This window... <o:p></o:p></span></a></span></p>
+
+<h4><a href="#General"><span style='color:#4F81BD;mso-themecolor:accent1;
+text-decoration:none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022_Image_Masks\0022 "'>Image
+Ma<span style='mso-bookmark:Image_Masks'></span>sks</span></span></a><![if !supportNestedAnchors]><a
 name="Image_Masks"></a><![endif]></h4>
 
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window... <o:p></o:p></span></p>
-
-<h3>Phase Windows</h3>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
-a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
-shown for that selected phase in a tabbed window. Clicking on each tab raises
-the windows listed below. Each tab is identified by the underlined phrase in
-the following:<o:p></o:p></span></p>
-
-<h4><a name=General><u>General</u> Phase Parameters</a></h4>
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#_Image_Masks"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>This window... <o:p></o:p></span></a></span></p>
+
+<h3><a href="#_Image_Masks"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>Phase Windows</span></a></h3>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#_Image_Masks"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>When a phase is selected from the <span style='mso-field-code:
+" HYPERLINK \0022\0022 \\l \0022Data_tree\0022 "'><u><span style='color:blue'>data
+tree</span></u></span>, parameters are shown for that selected phase in a
+tabbed window. Clicking on each tab raises the windows listed below. Each tab
+is identified by the underlined phrase in the following:<o:p></o:p></span></a></span></p>
+
+<h4><a name=General></a><a href="#Data_tree"><span style='mso-bookmark:General'><span
+style='color:#4F81BD;mso-themecolor:accent1'>General</span></span><span
+style='mso-bookmark:General'><span style='color:#4F81BD;mso-themecolor:accent1;
+text-decoration:none;text-underline:none'> Phase Parameters</span></span></a></h4>
 
 <span style='mso-bookmark:General'></span>
 
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-gives overall parameters describing the phase such as the name, space group,
-the unit cell parameters and overall parameters for the atom present in the
-phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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"'>Menu &#8216;<b
-style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
-shows computations that are possible for this phase.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
-maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Search
-maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
-search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
-% of the maximum will be found in this procedure; they will be printed on the
-console and will be shown in the &#8216;<a name="Map_peaks"></a><a
-href="gsasII.html"><span style='mso-bookmark:Map_peaks'>Map peaks</span><span
-style='mso-bookmark:Map_peaks'></span></a><span style='mso-bookmark:Map_peaks'></span>&#8217;
-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.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Charge
-flipping </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
-This performs a charge flipping <span class=SpellE><i style='mso-bidi-font-style:
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Data_tree"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>This gives overall parameters describing the phase such as
+the name, space group, the unit cell parameters and overall parameters for the
+atom present in the phase. It also has the controls for computing Fourier maps
+for this phase.<o:p></o:p></span></a></span></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><span
+style='color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do
+here?<o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Data_tree"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b>
+&#8211; The compute menu shows computations that are possible for this phase.<o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Data_tree"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Fourier maps</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; compute
+Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Data_tree"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Search maps </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; search the
+computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217; % of the
+maximum will be found in this procedure; they will be printed on the console
+and will be shown in the &#8216;<span style='mso-bookmark:Map_peaks'><span
+style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'><u><span
+style='color:blue'>Map peaks</span></u></span></span>&#8217; 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.<o:p></o:p></span></a><![if !supportNestedAnchors]><a
+name="Map_peaks"></a><![endif]></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Charge flipping </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; This
+performs a charge flipping <span class=SpellE><i style='mso-bidi-font-style:
 normal'>ab</i></span><i style='mso-bidi-font-style:normal'> initio</i>
 structure solution using the method of <span class=SpellE>Oszlanyi</span> &amp;
@@ -3587 +4324 @@
 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 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 &#8211; it doesn&#8217;t
-necessarily fall continuously), press the Cancel button to stop the charge
-flipping. The resulting map will be positioned to properly place symmetry
-operators (NB: 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.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Clear
-map </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
-This clears any Fourier/charge flip map from memory; the Fourier map controls are
-also cleared.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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 items in the upper part
-of the General page that can be changed are Phase name, Phase type, Space
-group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
-name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-this is the name assigned to this phase. It should only be changed when the
-phase is initialized or imported.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
-type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
-can only be set when there are no atoms in the Atoms page for this phase.
-Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Space
-group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; 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. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). 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.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
-unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; set this flag to refine the unit cell parameters in a Rietveld or
-Pawley refinement. The actual parameters refined are the symmetry allowed terms
-(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
-normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
-"Times New Roman"'><br>
-</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
+threshold (usually 0.1); these are found at the bottom of the </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>General</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> window. 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 &#8211; it doesn&#8217;t necessarily fall continuously), press the </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Cancel</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> button to stop the charge flipping. The resulting map will be positioned
+to properly place symmetry operators (NB: depends on the quality of the
+resulting phases), searched for peaks and the display shifts to </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Map peaks</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> to show them.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Clear map </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; This
+clears any Fourier/charge flip map from memory; the Fourier map controls are
+also cleared.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><![if !supportLists]><span
+style='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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>The items in the upper part of the General page that
+can be changed are Phase name, Phase type, Space group, unit cell parameters
+&amp; refine flag. These are described in turn:</span><span style='color:windowtext'><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Phase name</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; this is
+the name assigned to this phase. It should only be changed when the phase is
+initialized or imported.</span><span style='color:windowtext;font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Phase type &#8211; </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>this can only be set
+when there are no atoms in the Atoms page for this phase. Select it when the
+phase is initialized.</span><span style='color:windowtext;font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Space group</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; 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.
+&#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). 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><span style='color:windowtext;
+font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Refine unit cell</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; set this
+flag to refine the unit cell parameters in a Rietveld or Pawley refinement. The
+actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
+in the expression</span><i style='mso-bidi-font-style:normal'><span
+style='font-family:"Cambria Math","serif";color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'><br>
+</span></i></a></span></b><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><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:
@@ -3752 +4512 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span class=GramE><span style='color:windowtext;
+text-decoration:none;text-underline:none'>a</span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>, b, c,
+alpha, beta, gamma</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> &#8211; lattice parameters; only
+those permitted by the space group are shown. The <span class=GramE>volume<span
+style='mso-spacerun:yes'>&nbsp; </span>is</span> computed from the values
+entered.</span><span style='color:windowtext;font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>If there are entries in the Atoms page 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><span
+style='color:windowtext'><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Next are the Pawley controls.</span><span
+style='color:windowtext'><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Do Pawley refinement?</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; This must
+be chosen to perform a Pawley refinement as opposed to a Rietveld refinement
+for this phase. </span><span style='color:windowtext;text-decoration:none;
+text-underline:none'>NB:</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> you probably should clear the </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Histogram
+scale factor</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> refinement flag (found in </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Sample
+parameters</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> for the powder data set) as it cannot be refined simultaneously
+with the Pawley reflection intensities.</span><span style='color:windowtext;
+font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Pawley <span class=SpellE>dmin</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; This is the minimum d-spacing to be used in a Pawley refinement.
+</span><span style='color:windowtext;text-decoration:none;text-underline:none'>NB:</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> be sure to set this to match the minimum d-spacing indicated by the
+powder pattern limits (see </span><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Limits</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> for the powder
+data set).</span><span style='color:windowtext;font-weight:normal'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Pawley neg. wt.</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; This is
+the weight for a penalty function applied during a Pawley refinement on
+resulting negative intensities. Use with caution; initially try very small
+values (e.g. 10<sup>-8</sup>). A value of zero means no penalty is applied.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Fourier map controls are shown next on the General
+page. A completed Rietveld or Pawley refinement is required before a Fourier
+map can be computed. Select the desired type of map, the source of the
+reflection set and the map resolution desired. The peak cutoff is defined as a
+percentage of the maximum and defines the lowest level considered in the peak
+search.</span><span style='color:windowtext'><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo15'><span
+style='mso-fareast-font-family:"Times New Roman"'><a href="gsasII.html"><![if !supportLists]><span
+style='color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Charge flip controls are below the Fourier map
+controls.<o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Reflection set from</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; 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></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Normalizing element </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; This is an
+element form factor chosen to normalize the structure factors before charge
+flipping. </span><span style='color:windowtext;text-decoration:none;text-underline:
+none'>None</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> (the default) can be selected from the lower right
+of the Periodic Table display shown when this is selected.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Resolution </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; This is
+the resolution of the charge flip map; default is 0.5A. The set of reflections
+is expanded to a full sphere and zero filled to this resolution limit; this
+suite of reflections is then used for charge flipping.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
+text-indent:-.25in;mso-list:l0 level2 lfo15'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;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><![endif]><span class=GramE><span style='color:windowtext;
+text-decoration:none;text-underline:none'>k-Factor</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; This is the threshold on the density map, all densities below
+this are charge flipped.<o:p></o:p></span></a></span></b></p>
+
+<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><span style='color:#4F81BD;mso-themecolor:accent1'>Data </span><span
+style='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
+none'>sets</span><span style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></a></span></u></h4>
+
+<p class=MsoNormal><a href="gsasII.html"><span style='color:windowtext;
+text-decoration:none;text-underline:none'><o:p>&nbsp;</o:p></span></a></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'>What can I do here?</span><i style='mso-bidi-font-style:normal'><span
+style='font-family:"Cambria Math","serif";color:#4F4FFF;text-decoration:none;
+text-underline:none'><br style='mso-special-character:line-break'>
+<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
+<![endif]></span></i><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><o:p></o:p></span></a></span></h5>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="gsasII.html"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'><o:p>&nbsp;</o:p></span></a></span></h5>
+
+<h4><a name=Atoms></a><u><a href="gsasII.html"><span style='color:#4F81BD;
+mso-themecolor:accent1'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Atoms\0022 \\t \0022_self\0022 "'><span
+style='color:blue'>Atoms</span></span><o:p></o:p></span></a></u></h4>
+
+<p class=MsoNormal><a href="#Atoms" target="_self"><span style='color:windowtext;
+text-decoration:none;text-underline:none'>This is the table of parameters for
+the atoms in this crystal structure model. The menu controls allow manipulation
+of the values, refinement flags as well as initiate calculations of geometrical
+values (distances &amp; angles) among the atoms.</span></a></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'>What can I do here?<o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo16'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:none;text-underline:none'>Atom</span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'> selection from table</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;text-decoration:none;
+text-underline:none'> - These are controlled by the mouse and the
+Shift/Ctrl/Alt keys:<o:p></o:p></span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
-only those permitted by the space group are shown. The <span class=GramE>volume
-<span style='mso-spacerun:yes'>&nbsp;</span>is</span> computed from the values
-entered.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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]><span
-style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
-Atoms page 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.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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]><span
-style='mso-fareast-font-family:"Times New Roman"'>Next are the Pawley controls.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Do
-Pawley refinement?</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; This must be chosen to perform a Pawley refinement as opposed to a
-Rietveld refinement for this phase. <b style='mso-bidi-font-weight:normal'>NB:</b>
-you probably should clear the <b style='mso-bidi-font-weight:normal'>Histogram
-scale factor</b> refinement flag (found in <b style='mso-bidi-font-weight:normal'>Sample
-parameters</b> for the powder data set) as it cannot be refined simultaneously
-with the Pawley reflection intensities.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><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"'> &#8211; 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley
-neg. wt.</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-This is the weight for a penalty function applied during a Pawley refinement on
-resulting negative intensities. Use with caution; initially try very small
-values (e.g. 10<sup>-8</sup>). A value of zero means no penalty is applied.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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]><span
-style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
-shown next on the General page. A completed Rietveld or Pawley refinement is
-required before a Fourier map can be computed. Select the desired type of map,
-the source of the reflection set and the map resolution desired. The peak
-cutoff is defined as a percentage of the maximum and defines the lowest level
-considered in the peak search.<u><o:p></o:p></u></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![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]><span
-style='mso-fareast-font-family:"Times New Roman"'>Charge flip controls are at the
-bottom of the General page.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
-set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-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>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Normalizing
-element </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
-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.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Resolution
-</span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211; This
-is the resolution of the charge flip map; default is 0.5A. The set of
-reflections is expanded to a full sphere and zero filled to this resolution
-limit; this suite of reflections is then used for charge flipping.<o:p></o:p></span></p>
+style='color:windowtext;text-decoration:none;text-underline:none'>Left Mouse
+Button (LMB)</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; on a row number selects the atom.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Shift LMB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; on a row number selects all atoms from last selection to the selected
+row (or top is none previously selected).<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Ctrl LMB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; on a row number selects/deselects the atom.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Alt LMB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; on a row number selects that atom for moving; the status line at
+bottom of window will show name of atom selected. Use </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Alt LMB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> 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: the </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Draw Atoms</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> list is not updated by this change.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo16'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Double left
+click a Type column heading</span><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'>: a dialog box is shown that
+allows you to select all atoms with that type. </span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;text-decoration:none;
+text-underline:none'><o:p></o:p></span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo16'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>3.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Double click
+a refine or I/A column heading</span><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;text-decoration:none;text-underline:none'>:
+a dialog box will be shown with choices to be applied to every atom in the
+list.<o:p></o:p></span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo16'><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Atoms" target="_self"><![if !supportLists]><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Atom data item editing tools</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; These are controlled by the mouse (</span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Alt</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> ignored, </span><span style='color:windowtext;text-decoration:none;
+text-underline:none'>Shift</span><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'> &amp; </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Ctrl</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> allow selection of multiple cells but no use is made of them). An
+individual data item can be cup/pasted anywhere including from/to another
+document. Bad entries are rejected. If any entry is changed, press </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Enter</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> key or select another atom entry to apply the change.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Name</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; can change to any text string. <o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Type</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; causes a popup display of the Periodic Table of the elements;
+select the element/valence desired; the atom will be renamed as well.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+class=GramE><span style='color:windowtext;text-decoration:none;text-underline:
+none'>refine</span></span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> &#8211; shows a <span class=SpellE>pulldown</span>
+of allowed refinement flag choices to be shown; select one (top entry is blank
+for no refinement).<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+class=SpellE><span class=GramE><span style='color:windowtext;text-decoration:
+none;text-underline:none'>x,</span></span><span style='color:windowtext;
+text-decoration:none;text-underline:none'>y,z</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; change atom coordinate. Fractions (e.g. 1/3, 1/4) are allowed.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;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><![endif]><span
+class=SpellE><span class=GramE><span style='color:windowtext;text-decoration:
+none;text-underline:none'>frac,</span></span><span style='color:windowtext;
+text-decoration:none;text-underline:none'>Uiso,Uij</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; change these values; numeric entry only.<o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><![if !supportLists]><span style='color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>I/A</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; select one of </span><span class=GramE><span style='color:windowtext;
+text-decoration:none;text-underline:none'>I</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>(</span></span><span
+class=SpellE><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'>sotropic</span></span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>) or </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>A</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>(<span class=SpellE>nisotropic</span>); the </span><span class=SpellE><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Uiso</span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>/<span
+class=SpellE>Uij</span></span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> entries will change appropriately. <o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo16'><a
+name=Texture></a><a name="Draw_Options"></a><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-list:Ignore'>5.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Menu &#8216;<b
+style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu shows
+operations that can be performed on your selected atoms. You must select one or
+more atoms before using many of the menu items.</span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Append atom</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; add an H atom (name= <span class=SpellE>Unk</span>) at 0<span
+class=GramE>,0,0</span> to the end of the atom table, it is also drawn as an H
+atom in the structure plot.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Append view
+point</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; add an H atom (name= <span class=SpellE>Unk</span>)
+to the end of the atom table with coordinates matching the location of the view
+point, it is drawn as an H atom in the structure plot</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Insert atom</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; insert an H atom (name= <span class=SpellE>Unk</span>) at 0<span
+class=GramE>,0,0</span> before the selected atom, it is also drawn as an H atom
+in the structure plot.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Insert view
+point</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; insert an H atom (name= <span class=SpellE>Unk</span>)
+before the selected atom with coordinates matching the location of the view
+point, it is also drawn as an H atom in the structure plot.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Delete atom</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; selected atoms will be deleted from the atom <span class=GramE>list,</span>
+they should also vanish from the structure drawing.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Set atom
+refinement flags</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> &#8211; A popup dialog box appears;
+select refinement flags to apply to all selected atoms.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>g.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Modify atom
+parameters</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; A popup dialog box appears with a list of
+atom parameter names; select one to apply to all atoms. </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Name</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> 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
+&#8216;0&#8217;). </span><span style='color:windowtext;text-decoration:none;
+text-underline:none'>Type</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> will give periodic table popup;
+selected element valence will be used for all selected atoms and atoms names
+will be changed. </span><span style='color:windowtext;text-decoration:none;
+text-underline:none'>I/A</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'> will give popup with choices to be
+used for all selected atoms. </span><span class=SpellE><span class=GramE><span
+style='color:windowtext;text-decoration:none;text-underline:none'>x,</span></span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>y,z</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> will give popup for shift to be applied to the parameter for all
+selected atoms. </span><span class=SpellE><span style='color:windowtext;
+text-decoration:none;text-underline:none'>Uiso</span></span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> and </span><span class=SpellE><span style='color:windowtext;text-decoration:
+none;text-underline:none'>frac</span></span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> will give popup
+for new value to be used for all selected atoms. </span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>h.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Transform
+atoms</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; A popup dialog box 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><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]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Reload draw atoms</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; </span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo16'><a
+href="#Atoms" target="_self"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu<b style='mso-bidi-font-weight:normal'>
+&#8216;Compute&#8217; &#8211; </b></span></a></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l0 level2 lfo14'><![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]><span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>k-Factor</span></b></span><span style='mso-fareast-font-family:
-"Times New Roman"'> &#8211; This is the threshold on the density map, all
-densities below this are charge flipped.<o:p></o:p></span></p>
-
-<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
-</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
-
-<p class=MsoNormal><o:p>&nbsp;</o:p></p>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
-style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
-mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
-line-break'>
-<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
-<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
-
-<h4><a name=Atoms></a><u><a href="#Atoms" target="_self">Atoms</a><o:p></o:p></u></h4>
-
-<p class=MsoNormal>This is the table of parameters for the atoms in this
-crystal structure model. The menu controls allow manipulation of the values,
-refinement flags as well as initiate calculations of geometrical values
-(distances &amp; angles) among the atoms.</p>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo28'><![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
-style='mso-bidi-font-weight:normal'>Atom</b><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'> selection from
-table</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
-These are controlled by the mouse and the Shift/Ctrl/Alt keys:<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Left
-Mouse Button (LMB)</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; on a row number selects the atom.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Shift
-LMB</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-on a row number selects all atoms from last selection to the selected row (or
-top is none previously selected).<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Ctrl
-LMB</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-on a row number selects/deselects the atom.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Alt
-LMB</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
-on a row number selects that atom for moving; the status line at bottom of
-window will show name of 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: the <b
-style='mso-bidi-font-weight:normal'>Draw Atoms</b> list is not updated by this
-change.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo28'><![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'>Double left click a Type column heading</b>:
-a dialog box is shown that allows you to select all atoms with that type. <span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo28'><![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 click a refine or I/A column heading</b><span
-style='mso-fareast-font-family:"Times New Roman"'>: a dialog box will be shown
-with choices to be applied to every atom in the list.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Atom
-data item editing tools</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; These are controlled by 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 cells
-but no use is made of them). An individual data item can be cup/pasted anywhere
-including from/to another document. Bad entries are rejected. 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.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; can change to any
-text string. <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'><span style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; causes a popup
-display of the Periodic Table of the elements; select the element/valence
-desired; the atom will be renamed as well.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
+text-indent:-.25in;mso-list:l2 level2 lfo16'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>refine</span></b></span><span style='mso-fareast-font-family:
-"Times New Roman"'> &#8211; shows a <span class=SpellE>pulldown</span> of
-allowed refinement flag choices to be shown; select one (top entry is blank for
-no refinement).<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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]><span
-class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman"'>x,</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>y,z</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; change atom
-coordinate. Fractions (e.g. 1/3, 1/4) are allowed.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
+style='color:windowtext;text-decoration:none;text-underline:none'>Distances
+&amp; Angles &#8211; </span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'>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 </span><span style='color:windowtext;
+text-decoration:none;text-underline:none'>Reset</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> of this dialog
+box before proceeding.</span></a></b></p>
+
+<h4><u><a href="#Atoms" target="_self"><span style='color:#4F81BD;mso-themecolor:
+accent1'>Draw Options</span></a></u></h4>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'>What can I do here?<o:p></o:p></span></a></span></h5>
+
+<h4><a name="Draw_Atoms"></a><u><a href="#Atoms" target="_self"><span
+style='color:#4F81BD;mso-themecolor:accent1'>Draw Atoms<o:p></o:p></span></a></u></h4>
+
+<p class=MsoNormal><a href="#Atoms" target="_self"><span style='color:windowtext;
+text-decoration:none;text-underline:none'>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.</span></a></p>
+
+<h5><span style='mso-fareast-font-family:"Times New Roman"'><a href="#Atoms"
+target="_self"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'>What can I do here?<o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo17'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:none;text-underline:none'>Atom
+Selection from table</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'>: select individual atoms by a left
+click of the mouse when pointed at the left most column (atom numbers) of the
+atom display; hold down the Ctrl key to add to your selection; a previously
+selected atom will be deselected; hold down Shift key to select from last in
+list selected to current selection. A selected atom will be highlighted (in
+grey) and the atoms will be shown in green on the plot. Selection without the
+Ctrl key will clear previous selections. A double left click in the (empty)
+upper left box will select or deselect all atoms.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo17'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Atom
+Selection from plot</span><span style='color:windowtext;font-weight:normal;
+text-decoration:none;text-underline:none'>: 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 to .your selection use the right mouse button (Shift down); if
+a previously selection is reselected it is removed from the selection list. </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>NB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>: 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo17'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>3.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Double left
+click a Name, Type and Sym Op column heading</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>: 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo17'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>4.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Double left
+click a Style, Label or Color column</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>: 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 &#8220;Add to Custom
+Colors&#8221;, select that color in the Custom colors display and then press
+OK. </span><span style='color:windowtext;text-decoration:none;text-underline:
+none'>NB</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'>: selecting Color will make all atoms have the same
+color and for Style &#8220;blank&#8221; means the atoms aren&#8217;t rendered
+and thus the plot will not show any atoms or bonds!</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo17'><a
+href="#Atoms" target="_self"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217;
+- </b>The edit menu shows operations that can be performed on your selected
+atoms. You must select one or more atoms before using any of the menu items.</span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </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,</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Uiso,Uij</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; change these values;
-numeric entry only.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; select one of <span
-class=GramE><b style='mso-bidi-font-weight:normal'>I</b>(</span><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. <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo28'><a
-name=Texture></a><a name="Draw_Options"></a><![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
-&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
-shows operations that can be performed on your selected atoms. You must select
-one or more atoms before using many of the menu items.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Append atom</b> &#8211; add an H atom
-(name= <span class=SpellE>Unk</span>) at 0<span class=GramE>,0,0</span> 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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 view point</b> &#8211; add an H atom
-(name= <span class=SpellE>Unk</span>) to the end of the atom table with
-coordinates matching the location of the view point, it is drawn as an H atom
-in the structure plot</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Insert atom</b> &#8211; insert an H atom
-(name= <span class=SpellE>Unk</span>) at 0<span class=GramE>,0,0</span> before
-the selected atom, it is also drawn as an H atom in the structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Insert view point</b> &#8211; insert an H
-atom (name= <span class=SpellE>Unk</span>) before the selected atom with
-coordinates matching the location of the view point, it is also drawn as an H
-atom in the structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Delete atom</b> &#8211; selected atoms will
-be deleted from the atom <span class=GramE>list,</span> they should also vanish
-from the structure drawing.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Set atom refinement flags</b> &#8211; A
-popup dialog box appears; select refinement flags to apply to all selected
-atoms.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Modify atom parameters</b> &#8211; A popup
-dialog box appears with a list of atom parameter names; select one to apply to
-all 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 &#8216;0&#8217;). <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,</b></span><b
-style='mso-bidi-font-weight:normal'>y,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 <span class=SpellE><b
-style='mso-bidi-font-weight:normal'>frac</b></span> will give popup for new
-value to be used for all selected atoms. </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Transform atoms</b> &#8211; A popup dialog
-box 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.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level2 lfo28'><![if !supportLists]><span
-style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
+style='color:windowtext;text-decoration:none;text-underline:none'>Atom style</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; select the rendering style for the selected atoms</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Atom label</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; select the item to be shown as a label for each atom in
+selection. The choices are: none, type, name or number.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Atom color</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; select the color for the atom; a color choice dialog is
+displayed that covers the entire color spectrum. Choose a color by any of the
+means available, press the &#8220;Add to Custom Colors&#8221;, select that
+color in the Custom colors display and then press OK.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Reset atom
+colors</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; return the atom color back to their defaults
+for the selected atoms.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>View point</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; position the plot view point to the first atom in the selection.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Add atoms</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; using the selected atoms, new ones are added to the bottom of
+the list after applying your choice of 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>g.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Transform
+atoms</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>h.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Fill
+CN-sphere</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> &#8211; using the atoms 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.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><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'>Reload
-draw atoms</b> &#8211; </p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo28'><![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'> &#8216;Compute&#8217; &#8211; </b></p>
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Fill unit cell</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> - using the atoms
+currently selected from the draw atom table, find all atoms that fall inside or
+on the edge/surface/corners of the unit cell. This operation is frequently
+performed before Fill CN-sphere.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l17 level1 lfo18'><b style='mso-bidi-font-weight:
+normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>j.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Delete atoms</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; clear the
+entire draw atom table; it is then refilled from the Atoms table. You should do
+this operation after any changes in the Atoms table, e.g. by a structure
+refinement.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo17'><a
+href="#Atoms" target="_self"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu &#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</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.</span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l13 level2 lfo17;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;text-decoration:none;text-underline:none'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>View pt.
+dist.</span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'> - this calculates distance from view point to all
+selected draw atoms; result is given on the console window.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l13 level2 lfo17;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Dist. Ang.</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> </span><span style='color:windowtext;text-decoration:none;text-underline:
+none'>Tors. </span><span style='color:windowtext;font-weight:normal;text-decoration:
+none;text-underline:none'>&#8211; <span class=GramE>when</span> 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
+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).</span></a></b></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l2 level2 lfo28'><![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'>Distances &amp; Angles &#8211; </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.<o:p></o:p></p>
-
-<h4><u>Draw Options</u></h4>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
-
-<p class=MsoNormal>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>
-
-<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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
-style='mso-bidi-font-weight:normal'>Atom Selection from table</b>: select
+text-indent:-.25in;mso-list:l13 level2 lfo17;tab-stops:list 1.0in'><b
+style='mso-bidi-font-weight:normal'><a href="#Atoms" target="_self"><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;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><![endif]><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Best plane</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'> &#8211; when 4 or more atoms are selected, a best plane is determined
+for them. The result is shown on the console window; it may be cut &amp; pasted
+to another application (e.g. Microsoft Word). Shown are the atom coordinates
+transformed to Cartesian best plane coordinates where the largest range is over
+the X-axis and the smallest is over the Z-axis with the origin at the <span
+class=SpellE>unweighted</span> center of the selection. Root mean square
+displacements along each axis for the best plane are also listed. The Z-axis
+RMS value indicates the flatness of the proposed plane. </span><span
+style='color:windowtext;text-decoration:none;text-underline:none'>NB</span><span
+style='color:windowtext;font-weight:normal;text-decoration:none;text-underline:
+none'>: if you select (e.g. all) atoms then Best plane will give Cartesian
+coordinates for these atoms with respect to a coordinate system where the
+X-axis is along the longest axis of the atom grouping and the Z-axis is along
+the shortest distance. The origin is at the <span class=SpellE>unweighted</span>
+center of the selected atoms.</span></a></b></p>
+
+<h4><a name=Pawley></a><a href="#Atoms" target="_self"><span style='mso-bookmark:
+Pawley'><span style='color:#4F81BD;mso-themecolor:accent1'>Texture</span></span><span
+style='mso-bookmark:Pawley'><span style='color:#4F81BD;mso-themecolor:accent1;
+text-decoration:none;text-underline:none'> Parameters</span></span></a></h4>
+
+<h5><span style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:"Times New Roman";
+color:#4F4FFF;text-decoration:none;text-underline:none'>What can I do here?<o:p></o:p></span></span></a></h5>
+
+<h4><span style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><span style='color:#4F81BD;mso-themecolor:accent1;
+text-decoration:none;text-underline:none'>Map peaks</span></span></a></h4>
+
+<p class=MsoNormal><span style='mso-bookmark:Pawley'></span><a href="#Atoms"
+target="_self"><span style='mso-bookmark:Pawley'><span style='color:windowtext;
+text-decoration:none;text-underline:none'>This gives the list (magnitude, x y
+&amp; z) of all peaks found within the unit cell from the last Fourier/charge
+flip map search sorted in order of decreasing peak 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.</span></span></a></p>
+
+<h5><span style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'>What can I do here?</span></span></a></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l27 level1 lfo19'><span
+style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>1.<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='color:windowtext;text-decoration:none;text-underline:none'>Peak
+Selection from table</span></b></span><span style='mso-bookmark:Pawley'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>: select
 individual atoms by a left click of the mouse when pointed at the left most
 column (atom numbers) of the atom display; hold down the Ctrl key to add to
@@ -4159 +5375 @@
 key to select from last in list selected to current selection. A selected atom
 will be highlighted (in grey) and the atoms will be shown in green on the plot.
-Selection without the Ctrl key will clear previous selections. A double left
-click in the (empty) upper left box will select or deselect all atoms.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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
-corresponding entry in the table will be highlighted (in grey); any previous
-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='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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 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='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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 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
-&#8220;Add to Custom Colors&#8221;, 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
-&#8220;blank&#8221; means the atoms aren&#8217;t rendered and thus the plot
-will not show any atoms or bonds!</p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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
-&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
-shows operations that can be performed on your selected atoms. You must select
-one or more atoms before using any of the menu items.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Atom style</b> &#8211; select the rendering
-style for the selected atoms</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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> &#8211; select the item to
-be shown as a label for each atom in selection. The choices are: none, type,
-name or number.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Atom color</b> &#8211; select the color for
-the atom; a color choice dialog is displayed that covers the entire color
-spectrum. Choose a color by any of the means available, press the &#8220;Add to
-Custom Colors&#8221;, select that color in the Custom colors display and then
-press OK.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Reset atom colors</b> &#8211; return the
-atom color back to their defaults for the selected atoms.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>View point</b> &#8211; position the plot
-view point to the first atom in the selection.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
-atoms, new ones are added to the bottom of the list after applying your choice
-of 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Transform atoms</b> &#8211; 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Fill CN-sphere</b> &#8211; using the atoms
-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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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'>Fill unit
-cell</b> - using the atoms currently selected from the draw atom table, find
-all atoms that fall inside or on the edge/surface/corners of the unit cell.
-This operation is frequently performed before Fill CN-sphere.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l17 level1 lfo16'><![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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
-atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
-the Atoms table. You should do this operation after any changes in the Atoms
-table, e.g. by a structure refinement.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo15'><![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
-&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo15;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 view point to all selected draw atoms; result is given on the
-console window.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo15;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
-style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
-normal'>Tors. </b>&#8211; <span class=GramE>when</span> 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 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>
+Selection without the Ctrl key will clear previous selections. A left click in
+the (empty) upper left box will select or deselect all atoms.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><span
+style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Select the <b style='mso-bidi-font-weight:normal'>mag</b>
+column &#8211; the entries will be sorted with the largest at the top.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><span
+style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Select the <span class=SpellE><b style='mso-bidi-font-weight:
+normal'>dzero</b></span> column &#8211; the entries will be sorted with the
+smallest (distance from origin) at the top.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><span
+style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Menu <b style='mso-bidi-font-weight:normal'>&#8216;Map
+peaks&#8217; </b><span style='mso-spacerun:yes'>&nbsp;</span>&#8211;</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="#Atoms" target="_self"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Move peaks</span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'> &#8211; this copies selected peaks to the <span
+style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'><u><span
+style='color:blue'>Atoms</span></u></span> list and the <span style='mso-field-code:
+" HYPERLINK \0022gsasII\.html\0022 "'><u><span style='color:blue'>Draw Atoms</span></u></span>
+list. They will be appended to the end of each list each with the name
+&#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be drawn
+as small white spheres at their respective positions in the structure drawing.
+You should next go to the <span style='mso-field-code:" HYPERLINK \0022gsasII\.html\0022 "'><u><span
+style='color:blue'>Atoms</span></u></span> page and change the atom type to
+whatever element you desire; it will be renamed automatically.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>View point </span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>&#8211; this positions the view point (large 3D RGB cross)
+at the 1<sup>st</sup> selected peak.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>View pt</span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>. <b style='mso-bidi-font-weight:normal'>dist</b>. &#8211;
+this calculates distance from view point to all selected map peaks.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><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><![endif]><span class=SpellE><b style='mso-bidi-font-weight:
+normal'><span style='color:windowtext;text-decoration:none;text-underline:none'>Calc</span></b></span></span><span
+style='mso-bookmark:Pawley'><b style='mso-bidi-font-weight:normal'><span
+style='color:windowtext;text-decoration:none;text-underline:none'> <span
+class=SpellE>dist</span>/<span class=SpellE>ang</span> </span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>&#8211; 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></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><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><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Equivalent
+peaks </span></b></span><span style='mso-bookmark:Pawley'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>&#8211; this
+selects all peaks related to selection by space group symmetry.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>f.<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'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Unique peaks </span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>&#8211; this selects only the unique peak positions
+amongst those selected.</span></span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Delete peaks </span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>&#8211; this deletes selected peaks. The shading on the
+remaining peaks is changed to reflect any change in the maximum after deletion.</span></span></a></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l13 level2 lfo15;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
-style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
-are selected, a best plane is determined for them. The result is shown on the
-console window; it may be cut &amp; pasted to another application (e.g.
-Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
-plane coordinates where the largest range is over the X-axis and the smallest
-is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
-center of the selection. Root mean square displacements along each axis for the
-best plane are also listed. The Z-axis RMS value indicates the flatness of the
-proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
-(e.g. all) atoms then Best plane will give Cartesian coordinates for these
-atoms with respect to a coordinate system where the X-axis is along the longest
-axis of the atom grouping and the Z-axis is along the shortest distance. The
-origin is at the <span class=SpellE>unweighted</span> center of the selected
-atoms.</p>
-
-<h4><a name=Pawley><u>Texture</u> Parameters<o:p></o:p></a></h4>
-
-<h5><span style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:
-"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
-
-<h4><span style='mso-bookmark:Pawley'>Map peaks<o:p></o:p></span></h4>
-
-<p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list
-(magnitude, x y &amp; z) of all peaks found within the unit cell from the last
-Fourier/charge flip map search sorted in order of decreasing peak 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.<o:p></o:p></span></p>
-
-<h5><span style='mso-bookmark:Pawley'>What can I do here?<o:p></o:p></span></h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo20'><span
+text-indent:-.25in;mso-list:l27 level2 lfo19;tab-stops:list 1.0in'><span
+style='mso-bookmark:Pawley'></span><a href="gsasII.html"><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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Peak
-Selection from table</b>: select individual atoms by a left click of the mouse
-when pointed at the left most column (atom numbers) of the atom display; hold
-down the Ctrl key to add to your selection; a previously selected atom will be
-deselected; hold down Shift key to select from last in list selected to current
-selection. A selected atom will be highlighted (in grey) and the atoms will be
-shown in green on the plot. Selection without the Ctrl key will clear previous
-selections. A left click in the (empty) upper left box will select or deselect
-all atoms.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo20'><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]>Select the <b style='mso-bidi-font-weight:normal'>mag</b>
-column &#8211; the entries will be sorted with the largest at the top.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo20'><span
-style='mso-bookmark: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 <span class=SpellE><b
-style='mso-bidi-font-weight:normal'>dzero</b></span> column &#8211; the entries
-will be sorted with the smallest (distance from origin) at the top.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo20'><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]>Menu <b style='mso-bidi-font-weight:normal'>&#8216;Map
-peaks&#8217; </b><span style='mso-spacerun:yes'>&nbsp;</span>&#8211;<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Move
-peaks</b> &#8211; this copies selected peaks to the </span><a href="gsasII.html"><span
-style='mso-bookmark:Pawley'>Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> list and the </span><a href="gsasII.html"><span
-style='mso-bookmark:Pawley'>Draw Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> list. They will be appended to the end of each
-list each with the name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;.
-They will also be drawn as small white spheres at their respective positions in
-the structure drawing. You should next go to the </span><a href="gsasII.html"><span
-style='mso-bookmark:Pawley'>Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> page and change the atom type to whatever element
-you desire; it will be renamed automatically.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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]><b style='mso-bidi-font-weight:normal'>View
-point </b>&#8211; 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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>. &#8211; this calculates
-distance from view point to all selected map peaks.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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;
-</span></span></span><![endif]><span class=SpellE><b style='mso-bidi-font-weight:
-normal'>Calc</b></span><b style='mso-bidi-font-weight:normal'> <span
-class=SpellE>dist</span>/<span class=SpellE>ang</span> </b>&#8211; 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:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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'>Equivalent
-peaks </b>&#8211; this selects all peaks related to selection by space group
-symmetry.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Unique
-peaks </b>&#8211; this selects only the unique peak positions amongst those
-selected.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l26 level2 lfo20;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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
-peaks </b>&#8211; this deletes selected peaks. The shading on the remaining
-peaks is changed to reflect any change in the maximum after deletion.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l26 level2 lfo20;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;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Clear
-peaks </b>&#8211; this deletes all the peaks in the map peak list; they are
-also removed from the crystal structure drawing plot.<o:p></o:p></span></p>
-
-<h4><span style='mso-bookmark:Pawley'><u>Pawley </u></span><u>reflections<o:p></o:p></u></h4>
-
-<p class=MsoNormal>This gives the list of reflections used in a Pawley
-refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
-style='color:#00B0F0'> </span><a href="#General">General</a>)<span
-style='color:#00B0F0'>.</span></p>
-
-<h5>What can I do here?</h5>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo18'><![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
-<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l15 level2 lfo19'><![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'>Pawley create</b> &#8211; this creates a
-new set of Pawley reflections, over writing any preexisting Pawley set. They
-are generated with d-<span class=SpellE>spacings</span> larger than the limit
-set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
-for this phase. By default the refine flags are not set and the <span
+"Times New Roman";color:windowtext;text-decoration:none;text-underline:none'><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'><span
+style='color:windowtext;text-decoration:none;text-underline:none'>Clear peaks </span></b></span><span
+style='mso-bookmark:Pawley'><span style='color:windowtext;text-decoration:none;
+text-underline:none'>&#8211; this deletes all the peaks in the map peak list;
+they are also removed from the crystal structure drawing plot.</span></span></a></p>
+
+<h4><span style='mso-bookmark:Pawley'></span><a href="gsasII.html"><span
+style='mso-bookmark:Pawley'><span style='color:#4F81BD;mso-themecolor:accent1'>Pawley
+</span></span><span style='color:#4F81BD;mso-themecolor:accent1'>reflections<o:p></o:p></span></a></h4>
+
+<p class=MsoNormal><a href="gsasII.html"><span style='color:windowtext;
+text-decoration:none;text-underline:none'>This gives the list of reflections
+used in a Pawley refinement and can only be seen if the phase type is
+&#8216;Pawley&#8217; (see</span><span style='color:#00B0F0;text-decoration:
+none;text-underline:none'> </span><span style='color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022General\0022 "'><u><span
+style='color:blue'>General</span></u></span>)</span><span style='color:#00B0F0;
+text-decoration:none;text-underline:none'>.</span></a></p>
+
+<h5><a href="#General"><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'>What can I do here?</span></a></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo20'><a
+href="#General"><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'><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='color:windowtext;text-decoration:
+none;text-underline:none'>Menu <b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b>
+&#8211;</span></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l15 level2 lfo21'><b style='mso-bidi-font-weight:
+normal'><a href="#General"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;text-decoration:none;
+text-underline:none'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Pawley create</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; this
+creates a new set of Pawley reflections, over writing any preexisting Pawley
+set. They are generated with d-<span class=SpellE>spacings</span> larger than
+the limit set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the
+General tab for this phase. By default the refine flags are not set and the <span
 class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
-class=SpellE>hkl</span>) = 100.0.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l15 level2 lfo19'><![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 estimate</b> &#8211; this attempts
-an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
+class=SpellE>hkl</span>) = 100.0.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l15 level2 lfo21'><b style='mso-bidi-font-weight:
+normal'><a href="#General"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Pawley estimate</span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'> &#8211; this
+attempts an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
 class=GramE>(</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 <a href="#Data">Data</a> tab.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l15 level2 lfo19'><![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 delete </b>&#8211; this clears the
-set of Pawley reflections.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo18'><![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
-&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
-You should deselect 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.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo18'><![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 change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
-class=GramE>(</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>
-
-<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
+the <span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Data\0022 "'><u><span
+style='color:blue'>Data</span></u></span> tab.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l15 level2 lfo21'><b style='mso-bidi-font-weight:
+normal'><a href="#Data"><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>Pawley delete </span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'>&#8211; this
+clears the set of Pawley reflections.</span></a></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo20'><a
+href="#Data"><![if !supportLists]><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><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>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 &#8216;y&#8217; to set the refine flags or
+&#8216;n&#8217; to clear the flags. You should deselect 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></a></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo20'><a
+href="#Data"><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'>You can change the individual <span class=SpellE><span
+class=GramE>Fsq</span></span><span class=GramE>(</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.</span></a></p>
+
+<p class=MsoListParagraphCxSpLast><a href="#Data"><span style='color:windowtext;
+text-decoration:none;text-underline:none'><o:p>&nbsp;</o:p></span></a></p>
 
 <div class=MsoNormal align=center style='text-align:center'><span
-style='mso-fareast-font-family:"Times New Roman"'>
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Data"><span
+style='color:windowtext;text-decoration:none;text-underline:none'>
 
 <hr size=2 width="100%" align=center>
 
-</span></div>
+</span></a></span></div>
 
 <div class=MsoNormal align=center style='text-align:center'><span
-style='mso-fareast-font-family:"Times New Roman"'>
+style='mso-fareast-font-family:"Times New Roman"'><a href="#Data"><span
+style='color:windowtext;text-decoration:none;text-underline:none'>
 
 <hr size=2 width="100%" align=center>
 
-</span></div>
-
-<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
-GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
-style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window presents all the graphical material as a multipage tabbed set of plots
-utilizing the <span class=SpellE>matplotlib</span> python package. Each page
-has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
-mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
-src=graphbar.jpg
+</span></a></span></div>
+
+<h2><a name=Plots></a><a href="#Data"><span style='mso-bookmark:Plots'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'>3. GSAS-II Plots Window</span></span><span
+style='mso-bookmark:Plots'></span><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;font-weight:normal;text-decoration:none;text-underline:none'> </span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></a></h2>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="#Data"><span style='color:windowtext;text-decoration:none;text-underline:
+none'>This window presents all the graphical material as a multipage tabbed set
+of plots utilizing the <span class=SpellE>matplotlib</span> python package.
+Each page has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></a></span></p>
+
+<p class=MsoNormal><a href="#Data"><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;mso-no-proof:yes;text-decoration:none;text-underline:none'><img
+border=0 width=225 height=31 id="_x0000_i1032" src=graphbar.jpg
 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></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"'>These
-are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></a></p>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><a
+href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+text-underline:none'>These are <b style='mso-bidi-font-weight:normal'>Home</b>,
+<b style='mso-bidi-font-weight:normal'>Back</b>, <b style='mso-bidi-font-weight:
+normal'>Forward</b>, <b style='mso-bidi-font-weight:normal'>Pan</b>, <b
+style='mso-bidi-font-weight:normal'>Zoom</b>, <b style='mso-bidi-font-weight:
+normal'>Save</b> and <b style='mso-bidi-font-weight:normal'>Help</b>,
+respectively. <o:p></o:p></span></a></span></p>
 
 <ul type=disc>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
-     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
+     mso-list:l1 level1 lfo22;tab-stops:list .5in'><b style='mso-bidi-font-weight:
+     normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+     href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+     text-underline:none'>Home</span><span style='color:windowtext;font-weight:
+     normal;text-decoration:none;text-underline:none'>: returns the plot to the
+     initial scaling <o:p></o:p></span></a></span></b></li>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
-     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
+     mso-list:l1 level1 lfo22;tab-stops:list .5in'><b style='mso-bidi-font-weight:
+     normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+     href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+     text-underline:none'>Back</span><span style='color:windowtext;font-weight:
+     normal;text-decoration:none;text-underline:none'>: returns the plot to the
+     previous scaling <o:p></o:p></span></a></span></b></li>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
-     "Times New Roman"'>Forward: reverses the action in the previous press(es)
-     of the Back button <o:p></o:p></span></li>
+     mso-list:l1 level1 lfo22;tab-stops:list .5in'><b style='mso-bidi-font-weight:
+     normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+     href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+     text-underline:none'>Forward</span><span style='color:windowtext;
+     font-weight:normal;text-decoration:none;text-underline:none'>: reverses
+     the action in the previous press(es) of the Back button <o:p></o:p></span></a></span></b></li>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
-     "Times New Roman"'>Pan: allows you to control panning across the plot
-     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
+     mso-list:l1 level1 lfo22;tab-stops:list .5in'><b style='mso-bidi-font-weight:
+     normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+     href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+     text-underline:none'>Pan</span><span style='color:windowtext;font-weight:
+     normal;text-decoration:none;text-underline:none'>: allows you to control
+     panning across the plot (press left mouse button) and zooming (press right
+     mouse button), <o:p></o:p></span></a></span></b></li>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
-     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
-     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
+     mso-list:l1 level1 lfo22;tab-stops:list .5in'><b style='mso-bidi-font-weight:
+     normal'><span style='mso-fareast-font-family:"Times New Roman"'><a
+     href="graphbar.jpg"><span style='color:windowtext;text-decoration:none;
+     text-underline:none'>Zoom</span><span style='color:windowtext;font-weight:
+     normal;text-decoration:none;text-underline:none'>: allows you to select a
+     portion of the plot (press right mouse button &amp; drag for zoom box) for
+     the next plot. <o:p></o:p></span></a></span></b></li>
  <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: