Changeset 868

Timestamp:

Mar 20, 2013 4:44:57 PM (10 years ago)

Author:

vondreele

Message:

finish sucrose charge flip tutorial

Location:

trunk

Files:

• GSASIIstruct.py (modified) (1 diff)
• help/Charge Flipping - sucrose.htm (modified) (48 diffs)
• help/gsasII.html (modified) (154 diffs)
• help/gsasII_files/props011.xml (modified) (1 diff)

trunk/GSASIIstruct.py

@@ -3645 +3645 @@
     pDict,pVals,pWt = penaltyFxn(HistoPhases,parmdict,varylist)
     if np.any(pVals):
-        print 'Penalty function: %.3f on %d terms'%(np.sum(pWt*pVals**2),len(pVals))
+        pSum = np.sum(pWt*pVals**2)
+        print 'Penalty function: %.3f on %d terms'%(pSum,len(pVals))
         Nobs += len(pVals)
+        SumwYo += pSum
         M = np.concatenate((M,pWt*pVals))
     return M

trunk/help/Charge Flipping - sucrose.htm

@@ -24 +24 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>5</o:Revision>
-  <o:TotalTime>544</o:TotalTime>
+  <o:Revision>12</o:Revision>
+  <o:TotalTime>1341</o:TotalTime>
   <o:Created>2013-03-15T18:32:00Z</o:Created>
-  <o:LastSaved>2013-03-18T22:03:00Z</o:LastSaved>
+  <o:LastSaved>2013-03-20T21:43:00Z</o:LastSaved>
   <o:Pages>2</o:Pages>
-  <o:Words>2431</o:Words>
-  <o:Characters>13860</o:Characters>
+  <o:Words>3395</o:Words>
+  <o:Characters>19358</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>115</o:Lines>
-  <o:Paragraphs>32</o:Paragraphs>
-  <o:CharactersWithSpaces>16259</o:CharactersWithSpaces>
+  <o:Lines>161</o:Lines>
+  <o:Paragraphs>45</o:Paragraphs>
+  <o:CharactersWithSpaces>22708</o:CharactersWithSpaces>
   <o:Version>14.00</o:Version>
  </o:DocumentProperties>
@@ -387 +387 @@
         mso-fareast-theme-font:minor-fareast;}
 h2
-        {mso-style-noshow:yes;
-        mso-style-priority:9;
+        {mso-style-priority:9;
         mso-style-qformat:yes;
         mso-style-link:"Heading 2 Char";
@@ -457 +456 @@
 span.Heading2Char
         {mso-style-name:"Heading 2 Char";
-        mso-style-noshow:yes;
         mso-style-priority:9;
         mso-style-unhide:no;
@@ -512 +510 @@
  /* List Definitions */
  @list l0
-        {mso-list-id:82917343;
+        {mso-list-id:15232614;
         mso-list-type:hybrid;
-        mso-list-template-ids:-1527319822 -2100533712 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:1768441438 -647724540 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l0:level1
         {mso-level-tab-stop:none;
@@ -567 +565 @@
         text-indent:-9.0pt;}
 @list l1
-        {mso-list-id:236667377;
+        {mso-list-id:82917343;
         mso-list-type:hybrid;
-        mso-list-template-ids:-513138304 1385070818 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:-1527319822 -2100533712 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l1:level1
         {mso-level-tab-stop:none;
@@ -622 +620 @@
         text-indent:-9.0pt;}
 @list l2
-        {mso-list-id:533275380;
+        {mso-list-id:236667377;
         mso-list-type:hybrid;
-        mso-list-template-ids:-1319630076 -1606007952 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:-513138304 1385070818 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l2:level1
         {mso-level-tab-stop:none;
@@ -677 +675 @@
         text-indent:-9.0pt;}
 @list l3
-        {mso-list-id:588542776;
+        {mso-list-id:533275380;
         mso-list-type:hybrid;
-        mso-list-template-ids:477805396 -2056748102 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:-1319630076 -1606007952 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l3:level1
         {mso-level-tab-stop:none;
@@ -732 +730 @@
         text-indent:-9.0pt;}
 @list l4
-        {mso-list-id:854225785;
+        {mso-list-id:588542776;
         mso-list-type:hybrid;
-        mso-list-template-ids:-2071413312 1417604178 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:477805396 -2056748102 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @list l4:level1
         {mso-level-tab-stop:none;
@@ -787 +785 @@
         text-indent:-9.0pt;}
 @list l5
+        {mso-list-id:854225785;
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+        mso-list-template-ids:-2071413312 1417604178 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l5:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:.75in;
+        text-indent:-.25in;}
+@list l5: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 l5: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 l5:level4
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:2.25in;
+        text-indent:-.25in;}
+@list l5: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 l5: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 l5:level7
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.75in;
+        text-indent:-.25in;}
+@list l5: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 l5: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 l6
         {mso-list-id:1022125565;
         mso-list-type:hybrid;
         mso-list-template-ids:-482838388 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l5:level1
+@list l6:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:1.0in;
         text-indent:-.25in;}
-@list l5:level2
+@list l6:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -801 +854 @@
         margin-left:1.5in;
         text-indent:-.25in;}
-@list l5:level3
+@list l6:level3
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -807 +860 @@
         margin-left:2.0in;
         text-indent:-9.0pt;}
-@list l5:level4
+@list l6:level4
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:2.5in;
         text-indent:-.25in;}
-@list l5:level5
+@list l6:level5
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -818 +871 @@
         margin-left:3.0in;
         text-indent:-.25in;}
-@list l5:level6
+@list l6:level6
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -824 +877 @@
         margin-left:3.5in;
         text-indent:-9.0pt;}
-@list l5:level7
+@list l6:level7
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:4.0in;
         text-indent:-.25in;}
-@list l5:level8
+@list l6:level8
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -835 +888 @@
         margin-left:4.5in;
         text-indent:-.25in;}
-@list l5:level9
+@list l6:level9
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
         mso-level-number-position:right;
         margin-left:5.0in;
-        text-indent:-9.0pt;}
-@list l6
-        {mso-list-id:1750418215;
-        mso-list-type:hybrid;
-        mso-list-template-ids:-2112038656 -111739422 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l6:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:.75in;
-        text-indent:-.25in;}
-@list l6: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 l6:level3
-        {mso-level-number-format:roman-lower;
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-        mso-level-number-position:right;
-        margin-left:1.75in;
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-@list l6:level4
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:2.25in;
-        text-indent:-.25in;}
-@list l6: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 l6: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 l6:level7
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:3.75in;
-        text-indent:-.25in;}
-@list l6: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 l6: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;}
 ol
@@ -922 +920 @@
 </style>
 <![endif]--><!--[if gte mso 9]><xml>
- <o:shapedefaults v:ext="edit" spidmax="1026"/>
+ <o:shapedefaults v:ext="edit" spidmax="1029"/>
 </xml><![endif]--><!--[if gte mso 9]><xml>
  <o:shapelayout v:ext="edit">
@@ -940 +938 @@
 <p class=MsoNormal>In this exercise you will use GSAS-II to solve the structure
 of sucrose from powder diffraction data via charge flipping. This structure was
-originally solved from single crystal data in the space group P2<sub>1</sub>. </p>
+originally solved from single crystal data in the space group P2<sub>1</sub>.
+It is a difficult exercise to complete as the charge flipping does not always
+yield a solution and to even have a chance the Pawley refinement must be done
+with particular care. We have given a route that sometimes works.</p>
 
 <p class=MsoNormal>If you have not done so already, <a
 href="Starting%20GSAS.htm">start GSAS-II</a> and open the GSAS-II project file
-(I called it <span class=SpellE>sucrose.gpx</span>) you saved from the third
-part of the <a href="Fit%20Peaks.htm#sucrose_peak_fit">peak fitting-indexing
-exercise</a>. If you didn’t do that exercise, do it now.</p>
+(I called it <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>sucrose.gpx</span></b></span>) you saved from
+the third part of the <a href="Fit%20Peaks.htm#sucrose_peak_fit">peak
+fitting-indexing exercise</a>. If you didn’t do that exercise, do it now.</p>
 
 <h2><span class=GramE>Step 1.</span> Setup for Pawley refinement</h2>
@@ -955 +958 @@
 (reset limits, etc.) and the other is to prepare the phase for the refinement.</p>
 
-<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l6 level1 lfo2'><![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]>Select
@@ -974 +977 @@
 exact d-spacing (1.0125Å) using the mouse cursor on the plot.</p>
 
-<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l6 level1 lfo2'><![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
@@ -988 +991 @@
 mso-ascii-font-family:"Times New Roman";mso-hansi-font-family:"Times New Roman";
 mso-char-type:symbol;mso-symbol-font-family:Symbol'><span style='mso-char-type:
-symbol;mso-symbol-font-family:Symbol'>Q</span></span> giving values that will
+symbol;mso-symbol-font-family:Symbol'>Q</span></span> giving values that might
 not extrapolate well over the wider range to be used in the Pawley refinement.
 We will refine them again later.</p>
 
-<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l6 level1 lfo2'><![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
@@ -999 +1002 @@
 Parameters</span></b> and uncheck refinement of <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>.</p>
-
-<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l5 level1 lfo2'><![if !supportLists]><span
+minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>.
+While you are here set <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>.</p>
+
+<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l6 level1 lfo2'><![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]>Go
@@ -1040 +1048 @@
  <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
  <o:lock v:ext="edit" aspectratio="t"/>
-</v:shapetype><v:shape id="Picture_x0020_25" o:spid="_x0000_i1049" type="#_x0000_t75"
+</v:shapetype><v:shape id="Picture_x0020_25" o:spid="_x0000_i1064" type="#_x0000_t75"
  style='width:545.25pt;height:303.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image001.png" o:title=""/>
@@ -1055 +1063 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_26" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:259.5pt;
+ id="Picture_x0020_2" o:spid="_x0000_i1063" type="#_x0000_t75" style='width:259.5pt;
  height:252pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image002.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
-src="Charge%20Flipping%20-%20sucrose_files/image002.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
 
 <p class=MsoNormal>Select either choice; the desired data set will be added to
@@ -1068 +1076 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_27" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:480pt;
+ id="Picture_x0020_3" o:spid="_x0000_i1062" type="#_x0000_t75" style='width:480pt;
  height:393pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image003.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=640 height=524
-src="Charge%20Flipping%20-%20sucrose_files/image003.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
 
 <p class=MsoNormal>I’ve stretched the window slightly to see the entire
@@ -1100 +1108 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_28" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:375pt;
+ id="Picture_x0020_4" o:spid="_x0000_i1061" type="#_x0000_t75" style='width:375pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image004.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=500 height=300
-src="Charge%20Flipping%20-%20sucrose_files/image004.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
 
 <p class=MsoNormal>This completes the Pawley refinement setup; be careful that
@@ -1115 +1123 @@
 minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> on
 the main GSAS-II data tree window. Before it begins a backup of the project
-file is made; the name will be sucrose.bck0.gpx. It can be used to recover from
-a bad refinement. A progress dialog box will appear showing the residual as the
-refinement proceeds. Repeat <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> to make sure it
-has essentially minimized. My refinement completed with <span class=SpellE>Rwp</span>
-~26.9%; a dialog box appears asking if you wish to load the result. Press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
-To see the plot select the PWDR line in the GSAS-II data tree (I’ve adjusted
-the width and height).</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_30" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
+file is made; the name will be <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>sucrose.bck0.gpx</span></b>. It can be used
+to recover from a bad refinement. A progress dialog box will appear showing the
+residual as the refinement proceeds. Notice that there was a singular matrix
+warning on the console window and the last reflection (781) was removed from
+the refinement because it was off the end of the used part of the pattern. This
+is the GSAS-II singular matrix recovery mechanism; you can go to the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley
+reflections</span></b> tab and uncheck the last reflection. Then repeat <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>
+to make sure it has essentially minimized. My refinement completed with <span
+class=SpellE>Rwp</span> ~26.3%; a dialog box appears asking if you wish to load
+the result. Press <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>OK</span></b>. To see the plot select the
+PWDR line in the GSAS-II data tree (I’ve adjusted the width and height).</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_5" o:spid="_x0000_i1060" type="#_x0000_t75" style='width:503.25pt;
+ height:431.25pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image005.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Charge%20Flipping%20-%20sucrose_files/image005.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=671 height=575
+src="Charge%20Flipping%20-%20sucrose_files/image005.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
 
 <p class=MsoNormal>It is evident from examining the plot that some improvement
@@ -1164 +1180 @@
 minor-latin;mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000.0</span></b>.
-Repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine
-</span></b>until converged; I obtained an improved residual of 9.8% with a much
-better fit at the high angle part of the pattern but still not fit well for the
-lower part.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_34" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>
+if you didn’t do this earlier. Repeat <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>until converged;
+I obtained an improved residual of ~9.05% with a much better fit at the high
+angle part of the pattern but still not fit well for the lower part.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_26" o:spid="_x0000_i1059" type="#_x0000_t75" style='width:504.75pt;
+ height:432.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image006.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Charge%20Flipping%20-%20sucrose_files/image006.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=673 height=577
+src="Charge%20Flipping%20-%20sucrose_files/image006.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
 
 <p class=MsoNormal>What you see is that the background has a substantial
@@ -1187 +1203 @@
 parameters</span></b>; the problem is that the default <span class=SpellE>mustrain</span>
 value (1000.0) is much too high for this material and we’d like the fit to be
-better before trying charge flipping. To proceed do <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Reset profile</span></b>
-again and uncheck all refine boxes then move to <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> and
-select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+better before trying charge flipping. First select <span class=GramE><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>,</span>
+set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Peaks in
+background: No. peaks</span></b> to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>1</span></b> from the pull down box; the
+window changes to </p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_27" o:spid="_x0000_i1058" type="#_x0000_t75" style='width:366pt;
+ height:197.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image007.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=488 height=263
+src="Charge%20Flipping%20-%20sucrose_files/image007.png" v:shapes="Picture_x0020_27"><![endif]></span><span
+style='mso-spacerun:yes'> </span></p>
+
+<p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>5.0</span></b> for <span class=SpellE><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>pos</span></b></span>,
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100000</span></b>
+for <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>int</span></b></span> and <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000</span></b>
+for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>sig</span></b>
+(as appropriate for broad diffuse peaks) and then check all three refine boxes.
+Also set <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>No. <span
+class=SpellE>coeff</span>.</span></b> <span class=SpellE><span class=GramE>pulldown</span></span>
+to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>5</span></b>
+for the <span class=SpellE>chebyschev</span> part of the background. The window
+should look like</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_28" o:spid="_x0000_i1057" type="#_x0000_t75" style='width:402pt;
+ height:197.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image008.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=536 height=263
+src="Charge%20Flipping%20-%20sucrose_files/image008.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
+
+<p class=MsoNormal>Go to the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Controls</span></b> item in the GSAS-II data
+tree and set the <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Data</span></b> tab and check the <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>
-box. Repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Calculate/Refine</span></b> in the main GSAS-II data tree window;
-I get <span class=SpellE>Rwp</span> ~17% and the <span class=SpellE>mustrain</span>
-dropped to ~60.</p>
-
-<p class=MsoNormal>Now go back to Instrument parameters and check U, V, W and X
-(not Y) and repeat the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>step (twice); my <span
-class=SpellE>Rwp</span> ~9.8% and the low angle fit is much improved.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_32" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image007.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Charge%20Flipping%20-%20sucrose_files/image007.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
-
-<p class=MsoNormal>Now there seems to be a residual peak displacement, for this
-try the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X displacement</span></b>
-in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample Parameters</span></b>.
-Remember to change the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1000.0</span></b>.
-Do one more round of <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> <span
-class=GramE>improved</span> the <span class=SpellE>Rwp</span> to ~6.83%. The
-fit now looks like</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_33" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image008.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Charge%20Flipping%20-%20sucrose_files/image008.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
+minor-latin'>Max cycles</span></b> to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>5</span></b>. Now do <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> until
+the refinement converges. After a set of refinement cycles go to the Pawley reflections
+tab and check the intensities. If there are many negatives amongst the highest
+angle reflections do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Pawley update</span></b>, this replaces all
+the values with those in the extracted from the profile and listed in the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reflection
+list</span></b> for the PWDR data set. Next in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b> tab set the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pawley neg.
+wt.</span></b> to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>0.01</span></b>; this will suppress the
+negative Pawley intensities. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>. After
+refinement, mine converged to ~5.7% and the plot looked like</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_29" o:spid="_x0000_i1056" type="#_x0000_t75" style='width:507pt;
+ height:434.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image009.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=676 height=579
+src="Charge%20Flipping%20-%20sucrose_files/image009.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
 
 <p class=MsoNormal>Let’s see if this is good enough for charge flipping.</p>
@@ -1255 +1304 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l1 level1 lfo4'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l2 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]>Select <b style='mso-bidi-font-weight:normal'><span
@@ -1269 +1318 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l1 level1 lfo4'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l2 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]>Set the <b style='mso-bidi-font-weight:normal'><span
@@ -1300 +1349 @@
 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>10-12</span></b> for equal atom problems and larger for heavy atom
-ones. Set this to <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>12.</span></b> When ready select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+ones. <span class=GramE>For sucrose, set this to <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>12.</span></b></span> When ready
+select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Charge
 flipping</span></b>; a progress bar dialog will appear that tracks the residual
-found in each charge flipping cycle. It will quickly drop to some level (42-44%)
-and then perhaps drop again into the 20-30% range after a considerable time for
-a successful charge flipping run. You should save the project if you get an
-apparently good solution. Many times it will not drop below ~40%; just try <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Charge
-flipping</span></b> again. Unless otherwise interrupted, GSAS-II will try 10000
-times for a charge flip solution (for sucrose this takes 5-10min on my laptop).
-Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+found in each charge flipping cycle. It will quickly drop to some level
+(42-44%) and then perhaps drop again into the 20-25% range after a considerable
+length of time for a successful charge flipping run. You should save the
+project if you get an apparently good solution. Many times it will not drop
+below ~40%; just try <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Compute/Charge flipping</span></b> again. If
+several tries fail to yield a solution, go back to the last step of the Pawley
+refinement and just repeat it (that is do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Pawley update</span></b> and <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>).
+This will generate a different set of intensities for the highly overlapped
+part of the powder pattern; perhaps they will give a successful charge flip
+solution. Unless otherwise interrupted, GSAS-II will try 10000 times for a
+charge flip solution (for sucrose this takes 5-10min on my laptop). Press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Cancel</span></b>
 to stop the charge flipping; a peak list and a drawing of the solution will
@@ -1320 +1378 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_10" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:337.5pt;
+ id="Picture_x0020_30" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:337.5pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image009.png" o:title=""/>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image010.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=450 height=300
-src="Charge%20Flipping%20-%20sucrose_files/image009.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image010.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
 
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
 
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_1" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:338.25pt;
- height:289.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image010.png" o:title=""
-  croptop="2431f" cropbottom="25578f" cropleft="38673f" cropright="11746f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=451 height=386
-src="Charge%20Flipping%20-%20sucrose_files/image011.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
+<p class=MsoNormal><!--[if gte vml 1]><v:group id="Group_x0020_39" o:spid="_x0000_s1026"
+ style='position:absolute;margin-left:175.35pt;margin-top:187.65pt;width:53.1pt;
+ height:36.25pt;rotation:2373784fd;z-index:251662336;mso-width-relative:margin;
+ mso-height-relative:margin' coordsize="15335,13335" o:gfxdata="UEsDBBQABgAIAAAAIQC2gziS/gAAAOEBAAATAAAAW0NvbnRlbnRfVHlwZXNdLnhtbJSRQU7DMBBF
+90jcwfIWJU67QAgl6YK0S0CoHGBkTxKLZGx5TGhvj5O2G0SRWNoz/78nu9wcxkFMGNg6quQqL6RA
+0s5Y6ir5vt9lD1JwBDIwOMJKHpHlpr69KfdHjyxSmriSfYz+USnWPY7AufNIadK6MEJMx9ApD/oD
+OlTrorhX2lFEilmcO2RdNtjC5xDF9pCuTyYBB5bi6bQ4syoJ3g9WQ0ymaiLzg5KdCXlKLjvcW893
+SUOqXwnz5DrgnHtJTxOsQfEKIT7DmDSUCaxw7Rqn8787ZsmRM9e2VmPeBN4uqYvTtW7jvijg9N/y
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+position:absolute;z-index:251662336;margin-left:261px;margin-top:257px;
+width:16px;height:35px'><img width=16 height=35
+src="Charge%20Flipping%20-%20sucrose_files/image011.png" v:shapes="Group_x0020_39 Arc_x0020_37 Arc_x0020_38"></span><![endif]><span
+style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32"
+ o:spid="_x0000_i1054" type="#_x0000_t75" style='width:502.5pt;height:431.25pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image012.png" o:title=""
+  croptop="3005f" cropbottom="25112f" cropleft="36677f" cropright="13798f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=670 height=575
+src="Charge%20Flipping%20-%20sucrose_files/image013.jpg" v:shapes="Picture_x0020_32"><![endif]></span></p>
 
 <p class=MsoNormal>The result looks very promising! Charge flipping operates
 without regard to symmetry and GSAS-II attempts to locate the map with respect
-to the symmetry elements from the computed reflection phases. Errors in these
+to the symmetry elements from the computed reflection phases. NB: charge
+flipping also will give a solution without regard to handedness. This solution
+may be either the correct one for sucrose or its reverse. Errors in these
 phases can disrupt this process so that the map and peak positions are offset
 from their true positions. To discover this and fix it, rotate the drawing
-around to check that atom positions are related via the inversion center (the
-multicolored cross in the center of the cell. NB: only works if structure has
-an inversion center!). Avoid motions with the right mouse button pressed, this
-moves the cross. To recover, press the ‘<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>C</span></b>’ key to reset the cross to the
-cell center. If you find an offset to the map, orient it so the offset is
-horizontal or vertical and then press the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>L</span></b>, <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>R</span></b>, <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+around to check that atom positions are related via the 2<sub>1</sub> screw
+axis (through the multicolored cross in the center of the cell and parallel to
+the y-axis – the green cell edge). Avoid motions with the right mouse button
+pressed, this moves the cross. To recover, press the ‘<b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>C</span></b>’ key to reset the
+cross to the cell center. I’ve placed the symbol for a 2<sub>1</sub> axis on my
+drawing above to show where I think it should be. If you find an offset to the
+map, orient it so the offset is horizontal or vertical and then press the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>L</span></b>,
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>R</span></b>,
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>U</span></b>
 or <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
@@ -1360 +1523 @@
 (0.5Å) so the fix can only be approximate. Repeat as needed. Notice that the
 peak positions in the table are updated as the offset is changed. In this case,
-I needed just a single step to correct the map offset. NB: you can use these
-keys to move the result anywhere you wish, e.g. to select a different origin
-for the structure but pay attention to the location of symmetry elements.</p>
+I needed just a few steps to correct the map offset. NB: you can use these keys
+to move the result anywhere you wish, e.g. to select a different origin for the
+structure but pay attention to the location of symmetry elements. After
+adjustment, my solution looked like</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1053" type="#_x0000_t75" style='width:500.25pt;height:424.5pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image014.png" o:title=""
+  croptop="635f" cropbottom="27738f" cropleft="37732f" cropright="12675f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=667 height=566
+src="Charge%20Flipping%20-%20sucrose_files/image015.jpg" v:shapes="_x0000_i1053"><![endif]></span></p>
 
 <h2>Step 4 Obtain solution from charge flip result</h2>
@@ -1374 +1546 @@
 minor-latin'>dzero</span></b></span> column gives the distance of each peak
 from the origin. The menu items under Map peaks give you several tools to aid
-in the peak selection <span class=GramE>process,</span> we will just use a
-couple in this example. I have chosen to proceed by sorting the atoms by <span
-class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>dzero</span></b></span>, selecting all and then finding the unique
-ones. </p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l0 level1 lfo6'><![if !supportLists]><span style='mso-fareast-font-family:
+in the peak selection process; we will just use a couple in this example. I
+have chosen to proceed by sorting the atoms by <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>z</span></b>, selecting all and
+then finding the unique ones. </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l1 level1 lfo6'><![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]>Do a single click on the <span class=SpellE><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>dzero</span></b></span>
-column heading. This will sort the peaks in increasing distance from the
-origin.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l0 level1 lfo6'><![if !supportLists]><span style='mso-fareast-font-family:
+</span></span></span><![endif]>Do a single click on the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>z</span></b> column heading. This
+will sort the peaks in increasing z-axis coordinate.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l1 level1 lfo6'><![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]>Do a single click on the upper left (empty) box
@@ -1397 +1567 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l0 level1 lfo6'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l1 level1 lfo6'><![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]>Do <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Map peaks/Unique peaks</span></b>. That
-should select (grey) 13 out of 52 peak positions in the table and all should be
-near the top of the list. They will be colored green in the plot. If more are
-selected then check the map offset – it may need a slight correction.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_11" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:337.5pt;
- height:379.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image012.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=450 height=506
-src="Charge%20Flipping%20-%20sucrose_files/image012.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
+should select (grey) 23 out of 46 peak positions in the table and all should be
+near the top of the list. Given the formula for sucrose is C<sub>12</sub>H<sub>22</sub>O<sub>11</sub>
+that would be all the C &amp; O atoms! They will be colored green in the plot.
+If more are selected then check the map offset – it may need a slight
+correction.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1052" type="#_x0000_t75" style='width:337.5pt;height:411.75pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image016.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=450 height=549
+src="Charge%20Flipping%20-%20sucrose_files/image016.png" v:shapes="_x0000_i1052"><![endif]></span></p>
+
+<p class=MsoNormal>The drawing shows the selected atoms in green.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1051" type="#_x0000_t75" style='width:7in;height:429pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image017.png" o:title=""
+  croptop="610f" cropbottom="27878f" cropleft="37728f" cropright="12806f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=572
+src="Charge%20Flipping%20-%20sucrose_files/image018.jpg" v:shapes="_x0000_i1051"><![endif]></span></p>
+
+<p class=MsoNormal>Notice that in my case one atom is in a neighboring
+molecule, one can deselect it and then pick the desired equivalent. Hold the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Shift</span></b>
+key down and use the right mouse button to pick/unpick atoms in the drawing.
+NB: the left mouse button will clear all the selections. The other two “lone”
+atoms belong to molecules in neighboring unit cells; we’ll deal with them
+later.</p>
 
 <p class=MsoNormal>These are now ready to turn into atoms. Do <b
@@ -1419 +1610 @@
 selected positions and the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Atoms</span></b> table will now have 13 new H
-atoms. We are looking for heavier atoms in the formula NaSiO<sub>8</sub>B<sub>3</sub>LiH
-so 13 atoms should correspond to all but the Li &amp; H atoms.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_12" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:338.25pt;
- height:291.75pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image013.png" o:title=""
-  croptop="3527f" cropbottom="24386f" cropleft="38043f" cropright="12462f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=451 height=389
-src="Charge%20Flipping%20-%20sucrose_files/image014.jpg" v:shapes="Picture_x0020_12"><![endif]></span></p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_13" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
- height:292.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image015.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=390
-src="Charge%20Flipping%20-%20sucrose_files/image015.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
+mso-hansi-theme-font:minor-latin'>Atoms</span></b> table will now have 23 new H
+atoms. </p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1050" type="#_x0000_t75" style='width:7in;height:433.5pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image019.png" o:title=""
+  croptop="735f" cropbottom="27738f" cropleft="37833f" cropright="12817f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=578
+src="Charge%20Flipping%20-%20sucrose_files/image020.jpg" v:shapes="_x0000_i1050"><![endif]></span></p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_44" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:525pt;
+ height:414.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image021.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=553
+src="Charge%20Flipping%20-%20sucrose_files/image021.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
 
 <p class=MsoNormal>The atom names indicate the peak magnitude to aid
@@ -1450 +1640 @@
 position in the table with the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Alt</span></b> key still down. My list is now
-</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_15" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
- height:295.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image016.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=394
-src="Charge%20Flipping%20-%20sucrose_files/image016.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
-
-<p class=MsoNormal>To <span class=GramE>proceed</span> one could select an atom
-and see its bonding pattern with its neighbors to identify it. Then pick its
-neighbors and identify them continuing on until all atoms are identified. In my
-case this would be:</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l6 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]>Pick M50; it is bonded to 4 neighbors (one is in
-next cell) as a tetrahedron. Probably Si. Change its Type. The plot will change
-the green (as selected) ball to a gold colored one (the color assigned to Si).
-You may have to rock the structure slightly to make the change happen.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l6 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]>Pick its neighbors and change them to O atoms. A
-shift left mouse button on each will select them. The atoms will change from
-green to red.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l6 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]>Pick an O-atom neighbor; it will be a B-atom.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l6 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]>And so on until each atom is identified. NB: the
-Na atom will be relatively isolated.</p>
-
-<p class=MsoNormal>When I finished my structure looked like</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_14" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:526.5pt;
- height:6in;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image017.png" o:title=""
-  croptop="2450f" cropbottom="26950f" cropleft="39199f" cropright="11167f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=702 height=576
-src="Charge%20Flipping%20-%20sucrose_files/image018.jpg" v:shapes="Picture_x0020_14"><![endif]></span></p>
+mso-hansi-theme-font:minor-latin'>Alt</span></b> key still down. After sorting
+by magnitude, my list is now </p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1048" type="#_x0000_t75" style='width:525pt;height:417pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image022.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=556
+src="Charge%20Flipping%20-%20sucrose_files/image022.png" v:shapes="_x0000_i1048"><![endif]></span></p>
+
+<p class=MsoNormal>Notice that in this case the atom list is neatly sorted out
+into two groups with a clear gap between M79 and M64. The higher ones are
+likely to be the 11 O-atoms and the rest are the 12 C-atoms. There may be a bit
+of ambiguity in the middle, but just assign the top 11 as O and the rest as C
+and see what happens. You can do this by selecting a block of atoms, go to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Modify
+atom parameters</span></b> and select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Type</span></b> from the dialog box; a
+periodic table will appear. Select the desired element and they will be changed
+in the list and drawing.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1047" type="#_x0000_t75" style='width:7in;height:405.75pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image023.png" o:title=""
+  croptop="4281f" cropbottom="26429f" cropleft="44874f" cropright="5786f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=541
+src="Charge%20Flipping%20-%20sucrose_files/image024.jpg" v:shapes="_x0000_i1047"><![endif]></span></p>
 
 <p class=MsoNormal>The original charge flipping solution is still visible and
-the atoms are now identified.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_18" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
- height:290.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image019.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=387
-src="Charge%20Flipping%20-%20sucrose_files/image019.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
+the atoms are now identified, I’ve changed the drawing to show balls and sticks
+and labeled the atoms with their names, this is done in the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw atoms</span></b>
+tab. Pick the appropriate column and make the selection from the dialog
+box.<span style='mso-spacerun:yes'>  </span></p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1046" type="#_x0000_t75" style='width:450pt;height:415.5pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image025.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=600 height=554
+src="Charge%20Flipping%20-%20sucrose_files/image025.png" v:shapes="_x0000_i1046"><![endif]></span></p>
 
 <p class=MsoNormal>Interestingly the atoms identified exactly matched with the
-magnitudes of the charge flip map peaks with Si &amp; Na at the top and B at
-the bottom.</p>
+magnitudes of the charge flip map peaks with O at the top and C at the bottom.</p>
 
 <p class=MsoNormal>Now one can safely remove the map peaks (do <b
@@ -1528 +1702 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b>
-tab). After dressing up the drawing by making the Na atom van der Waals spheres
-and the rest as balls and sticks I have a nice drawing of the structure
-(without the Li and H atoms though).</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1033" type="#_x0000_t75" style='width:525.75pt;height:398.25pt;
- visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image020.png" o:title=""
-  croptop="2054f" cropbottom="23166f" cropleft="37518f" cropright="9679f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=701 height=531
-src="Charge%20Flipping%20-%20sucrose_files/image021.jpg" v:shapes="_x0000_i1033"><![endif]></span></p>
-
-<p class=MsoNormal>Save the project file; the next step is to complete the
-structure by finding the Li and H atoms and then doing the Rietveld refinement
-on the completed structure.</p>
+tab). The atom positions I obtained have two atoms (O3 &amp; O4) not connected
+to the sucrose molecule because they belong to neighboring molecules. We need
+to discover the equivalent ones that belong to this molecule. Follow the steps:</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Go to the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> tab and select them
+(hold the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ctrl</span></b>
+key down and select the appropriate rows). </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Fill unit cell</span></b>; new atoms
+will appear at end of list and in the drawing. </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Select all the atoms in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> table by a double
+click on upper left corner box of the table.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Fill CN-sphere</span></b>; new atoms
+will appear that are bonded to the molecule.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Select these new atoms that are in the molecule;
+they will probably be outside the unit cell box. Do this on the drawing with <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Shift</span></b>
+left &amp; right mouse buttons, they will show in green. </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Look at the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Draw Atoms</span></b> table for the
+selections and make note of the <span class=SpellE><b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Sym</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Op</span></b>
+for each one. In my case they were “<b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>2+1<span class=GramE>,0,0</span></span></b>”
+for O(4) and “<b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>2+2,-1,1</span></b>” for O(3). The first number is the symmetry
+operator number and the 3 numbers after the ‘<b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>+</span></b>’ are unit cell
+translations.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 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]>Go to the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Atoms</span></b> tab.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 level1 lfo8'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman"'><span style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Select an atom in turn that needs to be moved,
+e.g. in my case <span class=GramE>O(</span>3) or O(4). </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 level1 lfo8'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman"'><span style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Transform <span class=GramE>atoms<span
+style='font-family:"Times New Roman","serif";font-weight:normal'>,</span></span></span></b>
+select the operator and unit cell translations, then press <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>. The atom
+coordinates will be transformed.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l0 level1 lfo8'><![if !supportLists]><span style='mso-fareast-font-family:
+"Times New Roman"'><span style='mso-list:Ignore'>10.<span style='font:7.0pt "Times New Roman"'>&nbsp;
+</span></span></span><![endif]>Repeat 8 &amp; 9 for any other atoms to be
+moved.</p>
+
+<p class=MsoNormal style='margin-left:.5in'>This will complete the molecule
+with the extra atoms. <span class=GramE>Do</span> <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Reload draw atoms</span></b>
+to see the completed molecule. I’ve made it a balls &amp; sticks with names as
+labels.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1045" type="#_x0000_t75" style='width:7in;height:6in;visibility:visible;
+ mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image026.png" o:title=""
+  cropbottom="28348f" cropleft="41090f" cropright="9483f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=576
+src="Charge%20Flipping%20-%20sucrose_files/image027.jpg" v:shapes="_x0000_i1045"><![endif]></span></p>
+
+<p class=MsoNormal>Save the project file; the next step is to <span
+class=GramE>do <span style='mso-spacerun:yes'> </span>the</span> Rietveld
+refinement on the completed structure.</p>
 
 <h2>Step 5 Complete the structure</h2>
@@ -1549 +1826 @@
 preliminary Rietveld refinement. This will make the atom positions more
 accurate and prepare a set of calculated structure factors needed to generate a
-difference Fourier map good enough to reveal the Li atom position and maybe the
-H-atom as well. There are a number of steps needed to set all the controls from
-the previous Pawley refinement to get a successful start for the Rietveld
-refinement.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l4 level1 lfo10'><![if !supportLists]><span style='mso-fareast-font-family:
+difference Fourier map good enough to maybe reveal the H atoms. There are a
+number of steps needed to set all the controls from the previous Pawley
+refinement to get a successful start for the Rietveld refinement.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l5 level1 lfo10'><![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]>Go to the <b style='mso-bidi-font-weight:normal'><span
@@ -1566 +1842 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l4 level1 lfo10'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l5 level1 lfo10'><![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]>Go to <b style='mso-bidi-font-weight:normal'><span
@@ -1573 +1849 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Histogram
-scale factor</span></b> box. This is the scale factor for the data set. You may
-want to change the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Goniometer radius</span></b> to 1000. That
-will put the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Sample X</span></b> displacement on a proper scale when you refine
-it later.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l4 level1 lfo10'><![if !supportLists]><span style='mso-fareast-font-family:
+scale factor</span></b> box. This is the scale factor for the data set. Uncheck
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X <span
+class=SpellE>displ</span></span></b>.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l5 level1 lfo10'><![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]>Go to <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Phases/kryptonite General</span></b> tab and
+mso-hansi-theme-font:minor-latin'>Phases/sucrose General</span></b> tab and
 uncheck <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine unit
@@ -1600 +1872 @@
 mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> from the main
 GSAS-II data tree menu; all that was refined is scale and background. I got <span
-class=GramE>a</span> <span class=SpellE>Rwp</span> ~31%. The plot shows clear
+class=GramE>a</span> <span class=SpellE>Rwp</span> ~20%. The plot shows clear
 intensity differences; the atom positions obviously need refinement.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_16" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image022.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Charge%20Flipping%20-%20sucrose_files/image022.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
+ id="_x0000_i1044" type="#_x0000_t75" style='width:502.5pt;height:430.5pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image028.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=670 height=574
+src="Charge%20Flipping%20-%20sucrose_files/image028.png" v:shapes="_x0000_i1044"><![endif]></span></p>
 
 <p class=MsoNormal>I’ve shifted &amp; zoomed in to make the differences more
@@ -1615 +1887 @@
 <p class=MsoNormal>Go to <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Phases/kryptonite</span></b> and select the <b
+mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> and select the <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Atoms</span></b>
-tab. The double click the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>refine</span></b> column heading, a dialog
-box will appear, select the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>X-coordinates</span></b> box and press <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+tab. Note the warning at the bottom of the window; the origin in space group P
+2<sub>1</sub> has an arbitrary location along the y-axis. Then double click the
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>refine</span></b>
+column heading, a dialog box will appear, select the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>X-coordinates</span></b> box and
+press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
 The atoms table will show the refinement controls</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_17" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image023.png" o:title=""/>
+ id="_x0000_i1043" type="#_x0000_t75" style='width:525pt;height:225pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image029.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Charge%20Flipping%20-%20sucrose_files/image023.png" v:shapes="Picture_x0020_17"><![endif]></span></p>
+src="Charge%20Flipping%20-%20sucrose_files/image029.png" v:shapes="_x0000_i1043"><![endif]></span></p>
+
+<p class=MsoNormal>To deal with the warning we need to set a “Hold” on one atom
+y-coordinate. Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Constraints</span></b> in the main GSAS-II
+data tree.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1042" type="#_x0000_t75" style='width:225pt;height:187.5pt;
+ visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image030.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=300 height=250
+src="Charge%20Flipping%20-%20sucrose_files/image030.png" v:shapes="_x0000_i1042"><![endif]></span></p>
+
+<p class=MsoNormal>Do an <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Add hold</span></b> and select ‘<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0:<span
+class=GramE>:dAy:0</span> for O(1)</span></b>’ from the dialog box. This will
+fix the shift along y for the <span class=GramE>O(</span>1) atom.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_53" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:259.5pt;
+ height:271.5pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image031.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=362
+src="Charge%20Flipping%20-%20sucrose_files/image031.png" v:shapes="Picture_x0020_53"><![endif]></span></p>
+
+<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>OK</span></b>; the Constraints window will
+show the hold</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_54" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:225pt;
+ height:187.5pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image032.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=300 height=250
+src="Charge%20Flipping%20-%20sucrose_files/image032.png" v:shapes="Picture_x0020_54"><![endif]></span></p>
 
 <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>Calculate/Refine </span></b>again; my <span
-class=SpellE>Rwp</span> is now ~15%. You can now safely refine lattice
+class=SpellE>Rwp</span> is now ~10.3%. You can now safely refine lattice
 parameters (in the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>General</span></b> tab for <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/kryptonite</span></b>)
-and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>),
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
 parameters</span></b> <b style='mso-bidi-font-weight:normal'><span
@@ -1653 +1966 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>W</span></b>,
-<span class=GramE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>X</span></b></span> &amp; <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b>.
-My refinement improved slightly to Rwp~14.5%. Let’s see if a difference Fourier
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X</span></b>
+&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b>
+and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample X <span
+class=SpellE>displ</span></span></b>. You can also include refinement of atom
+thermal motion (<span class=SpellE>U<sub>iso</sub></span>) parameters. My
+refinement improved slightly to Rwp~10.0%. Let’s see if a difference Fourier
 map will show anything.<br>
 Go to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/kryptonite
-General</span></b> <span class=GramE>tab ;</span> the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Fourier map controls</span></b>
-are midway down the window.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l2 level1 lfo12'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose
+General</span></b> tab; the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Fourier map controls</span></b> are midway
+down the window.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l3 level1 lfo12'><![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]>Select <span class=SpellE><b style='mso-bidi-font-weight:
@@ -1679 +1995 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l2 level1 lfo12'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l3 level1 lfo12'><![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 <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>PWDR 11bmb_6231.fxye Bank 1</span></b> for
+mso-hansi-theme-font:minor-latin'>PWDR 11bmb_8716.fxye Bank 1</span></b> for
 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reflection
@@ -1693 +2009 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l2 level1 lfo12'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l3 level1 lfo12'><![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]>Do <b style='mso-bidi-font-weight:normal'><span
@@ -1706 +2022 @@
 
 <p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l2 level1 lfo12'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-list:l3 level1 lfo12'><![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]>Go to the <b style='mso-bidi-font-weight:normal'><span
@@ -1713 +2029 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Contour
-level</span></b> slider until something appears on the map.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_19" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:274.5pt;
- height:337.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image024.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=366 height=450
-src="Charge%20Flipping%20-%20sucrose_files/image024.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_20" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:349.5pt;
- height:299.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image025.png" o:title=""
-  croptop="5231f" cropbottom="8930f" cropleft="11448f" cropright="20374f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=466 height=399
-src="Charge%20Flipping%20-%20sucrose_files/image026.jpg" v:shapes="Picture_x0020_20"><![endif]></span></p>
+level</span></b> slider until something appears on the map. You can also reduce
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map radius</span></b>
+to help clarify the view.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_35" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:502.5pt;
+ height:435.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image033.png" o:title=""
+  croptop="1958f" cropbottom="26321f" cropleft="41054f" cropright="9779f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=670 height=581
+src="Charge%20Flipping%20-%20sucrose_files/image034.jpg" v:shapes="Picture_x0020_35"><![endif]></span></p>
 
 <p class=MsoNormal>What <span class=GramE>is</span> drawn here are green dots
-whose size are proportional to the electron density. These are the Li atom positions.
-There are several ways within GSAS-II to add it to the atom list. One is to do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Search
-map</span></b> in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>General</span></b> tab and then find them in
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Map peaks</span></b>
-tab much the same way we did earlier in this exercise. Another is to get the
-atom position directly from the map, we will do that now.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l3 level1 lfo14'><![if !supportLists]><span style='mso-fareast-font-family:
+whose size are proportional to the electron density. There are peaks that might
+be H-atom positions as well as features that suggest C &amp; O-atoms out of
+position. Recall that the refinement was just done without any H-atoms; it will
+make the best fit compensating for the missing H-atoms by displacing the C &amp;O
+atoms in the direction of the missing H-atoms. </p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l4 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]>Go to the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Phases/kryptonite Atoms</span></b> tab.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l3 level1 lfo14'><![if !supportLists]><span style='mso-fareast-font-family:
+mso-hansi-theme-font:minor-latin'>Phases/<span class=GramE>sucrose <span
+style='mso-spacerun:yes'> </span>Draw</span> Atoms</span></b> tab.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l4 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]>Select a C or O atoms with possible H-atom
+density nearby. It will appear green. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/View point</span></b>; this will
+position the cross on the selected atom.</p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l4 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]>Using the mouse, position the multicolored cross
-directly in the center of one of the presumed Li atom peaks. Rotate the drawing
-around with the left mouse button and shift the cross with the right mouse
-button. You can zoom in using the roll wheel on the mouse (or else use the <b
+directly in the center of the nearby H atom peak. Rotate the drawing around
+with the left mouse button and shift the cross with the right mouse button. You
+can zoom in using the roll wheel on the mouse (or else use the <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Camera
@@ -1765 +2081 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_21" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:350.25pt;
- height:302.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image027.png" o:title=""
-  cropbottom="13787f" cropleft="10923f" cropright="20900f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=467 height=403
-src="Charge%20Flipping%20-%20sucrose_files/image028.jpg" v:shapes="Picture_x0020_21"><![endif]></span></p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l3 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]>Do <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Edit/Insert view point</span></b>, a white
-ball will appear at the selected position and an H-atom (name = <b
+ id="Picture_x0020_36" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:7in;
+ height:435.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image035.png" o:title=""
+  croptop="1838f" cropbottom="26454f" cropleft="41090f" cropright="9589f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=581
+src="Charge%20Flipping%20-%20sucrose_files/image036.jpg" v:shapes="Picture_x0020_36"><![endif]></span></p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l4 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]>Go to the Atoms tab and do <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Insert view point</span></b>,
+a white ball will appear at the selected position and an H-atom (name = <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>UNK</span></b>)
-will be appended to the end of the atom list.</p>
-
-<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
-mso-list:l3 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]>Change its <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Type</span></b> to <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Li</span></b>, it will be renamed
-and the ball color/size will change to that for Li.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_22" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:348pt;
- height:297pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image029.png" o:title=""
-  croptop="374f" cropbottom="13600f" cropleft="10817f" cropright="20795f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=464 height=396
-src="Charge%20Flipping%20-%20sucrose_files/image030.jpg" v:shapes="Picture_x0020_22"><![endif]></span></p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_23" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image031.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Charge%20Flipping%20-%20sucrose_files/image031.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
-
-<p class=MsoNormal>Change the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>refine</span></b> flag to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>X</span></b>
-for the Li atom and repeat <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> from the main
-GSAS-II data tree window. My residual <span class=SpellE>Rwp</span> dropped to
-~11.3%. Next set all <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>refine</span></b> flags to <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>XU</span></b>
+will be appended to the end of the atom list. Repeat steps 1-4 for as many
+recognizable H-atom positions you can find; the goal is to find all 22 of them
+(you probably will find less than that, but you could guess many of the rest).
+I found all but 5 of them.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_38" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:7in;
+ height:427.5pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image037.png" o:title=""
+  croptop="1151f" cropbottom="27433f" cropleft="41826f" cropright="8682f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=672 height=570
+src="Charge%20Flipping%20-%20sucrose_files/image038.jpg" v:shapes="Picture_x0020_38"><![endif]></span></p>
+
+<p class=MsoListParagraph style='margin-left:.75in;text-indent:-.25in;
+mso-list:l4 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]>Change their <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Type</span></b> to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>H</span></b>,
+they will be renamed and make then all ball &amp; stick. Do a <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>;
+there should be a drop in <span class=SpellE>Rwp</span>. Then repeat the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Fourier
+map</span></b> in the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>General</span></b> tab, adjust the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Contour
+level</span></b> and <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Map radius</span></b> as desired. Look for
+the remaining H-atoms; you may have to guess positions for some of them using
+known stereochemistry rules. My model looked like</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_39" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:502.5pt;
+ height:421.5pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image039.png" o:title=""
+  croptop="1524f" cropbottom="27738f" cropleft="41826f" cropright="8801f"/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=670 height=562
+src="Charge%20Flipping%20-%20sucrose_files/image040.jpg" v:shapes="Picture_x0020_39"><![endif]></span></p>
+
+<p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> to finish this
+stage in the structure analysis. My <span class=SpellE>Rwp</span> was ~8.02%
+with all the H-atoms included (but not refined). The fit looks pretty good</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_40" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image041.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
+src="Charge%20Flipping%20-%20sucrose_files/image041.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
+
+<h2>Step 6: Final refinement</h2>
+
+<p class=MsoNormal>Looking at the fit, there may be room for improvement and we’d
+like to refine the H-atom positions. First we need to change the profile model
+to include crystallite size and <span class=SpellE>mustrain</span> broadening.
+Go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
+Parameters</span></b>, set <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>X</span></b> and <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Y</span></b> to <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>zero</span></b>
+and uncheck the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Refine</span></b> flags for them.</p>
+
+<p class=MsoNormal>Next go to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> and look at the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b>
+tab; make sure the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Show</span></b> box is checked. Check the
+boxes for both <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Cryst</span></b></span><b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>. <span class=GramE>size</span></span></b>
+and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_41" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:480pt;
+ height:339pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image042.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=640 height=452
+src="Charge%20Flipping%20-%20sucrose_files/image042.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
+
+<p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the <span
+class=SpellE>Rwp</span> will start out high but should converge to where it was
+before this change. I got 8.08% and the Data tab looked like</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_42" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:480pt;
+ height:334.5pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image043.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=640 height=446
+src="Charge%20Flipping%20-%20sucrose_files/image043.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
+
+<p class=MsoNormal>This no change in model yet but next select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Generalized</span></b>
+for the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Mustrain</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> model</span></b>;
+this is the Stephens phenomenological model for <span class=SpellE>microstrain</span>
+which has 9 terms for monoclinic structures. Check all the boxes for it.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_43" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:480pt;
+ height:303.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image044.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=640 height=405
+src="Charge%20Flipping%20-%20sucrose_files/image044.png" v:shapes="Picture_x0020_43"><![endif]></span></p>
+
+<p class=MsoNormal>Do a <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b>; the <span
+class=SpellE>Rwp</span> will start out high but should converge lower than
+where it was before this change. I got 7.65% and the Data tab looked like. If
+you check the <span class=SpellE>Mustrain</span> button in the Select plot type
+box, you will see the interesting <span class=SpellE>mustrain</span> surface
+plot for ground sucrose.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_45" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:480pt;
+ height:305.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image045.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=640 height=407
+src="Charge%20Flipping%20-%20sucrose_files/image045.png" v:shapes="Picture_x0020_45"><![endif]></span><o:p></o:p></p>
+
+<p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_47" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image046.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
+src="Charge%20Flipping%20-%20sucrose_files/image046.png" v:shapes="Picture_x0020_47"><![endif]></span></b></p>
+
+<p class=MsoNormal>Before refining H-atom positions it would be wise to create
+restraints on their bond distances and angles. Locate <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Restraints</span></b> in the main
+GSAS-II data tree; there will be an almost blank window telling you there are
+no bond restraints for sucrose. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Add <span class=GramE>restraints<span
+style='font-family:"Times New Roman","serif";font-weight:normal'>,</span></span></span></b>
+a dialog box will appear asking for the origin atom for the bond. </p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_48" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:259.5pt;
+ height:252pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image047.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
+src="Charge%20Flipping%20-%20sucrose_files/image047.png" v:shapes="Picture_x0020_48"><![endif]></span></p>
+
+<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>all H</span></b> and press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
+A new dialog box will appear asking for the target atoms for the bonds.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_49" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:259.5pt;
+ height:252pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image048.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
+src="Charge%20Flipping%20-%20sucrose_files/image048.png" v:shapes="Picture_x0020_49"><![endif]></span></p>
+
+<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>all C</span></b> and <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>all O</span></b> and a third
+dialog box appears asking for the bond length</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_50" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:147pt;
+ height:78.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image049.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=196 height=105
+src="Charge%20Flipping%20-%20sucrose_files/image049.png" v:shapes="Picture_x0020_50"><![endif]></span><span
+style='mso-spacerun:yes'> </span></p>
+
+<p class=MsoNormal>Enter <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>1.09</span></b> and press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.
+I got a short list of 8 H-C and H-O restraints, but I expect 22 of them. Change
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Search range</span></b>
+to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.5</span></b>
 and repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Calculate/Refine</span></b>. My residual is now <span
-class=SpellE>Rwp</span> ~10.8%. Maybe we can find the H-atom.</p>
-
-<p class=MsoNormal>From the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>General</span></b> tab, Do <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Compute/Fourier
-map</span></b> and adjust the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Contour level</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Draw options</span></b>
-tab.</p>
-
-<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_24" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:348pt;
- height:302.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image032.png" o:title=""
-  cropbottom="13413f" cropleft="10818f" cropright="21005f"/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=464 height=403
-src="Charge%20Flipping%20-%20sucrose_files/image033.jpg" v:shapes="Picture_x0020_24"><![endif]></span></p>
-
-<p class=MsoNormal>I moved the cross to a very interesting feature of the map
-and zoomed in a bit. This may be the H-atom, <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Insert view point</span></b> from
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Atoms</span></b>
-tab and change the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Type</span></b> to <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>H</span></b> (I know it is H
-already but this step changes the name from <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>UNK</span></b>). Repeat the
-Calculate/Refine without varying any of the H-atom parameters; my final <span
-class=SpellE>Rwp</span> = 10.69% (you don’t get much improvement for adding an
-H-atom to an oxide structure).</p>
+minor-latin'>Edit/Add restraints</span></b>. There are now 22 restraints on H-C
+and H-O bond lengths.</p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_51" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:450pt;
+ height:423pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image050.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=600 height=564
+src="Charge%20Flipping%20-%20sucrose_files/image050.png" v:shapes="Picture_x0020_51"><![endif]></span></p>
+
+<p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Angle restraints</span></b> tab and again
+there aren’t any. Do <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Edit/Add restraints</span></b>, a dialog box
+will appear asking for the A atom in the angle A-B-C. Select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all H</span></b>.
+The next dialog asks for the B atom in the A-B-C angle, select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all C</span></b>
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>all O</span></b>.
+The third dialog asks for the angle and has a default of <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>109.54</span></b>. This is the
+tetrahedral angle so just press OK. 36 restraints will be listed; they are
+listed in order of the B atom. O-atoms should have one angle apiece; C-atoms
+will have more. </p>
+
+<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
+ id="Picture_x0020_52" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:450pt;
+ height:365.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Charge%20Flipping%20-%20sucrose_files/image051.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=600 height=487
+src="Charge%20Flipping%20-%20sucrose_files/image051.png" v:shapes="Picture_x0020_52"><![endif]></span></p>
+
+<p class=MsoNormal>Now go back the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Atoms</span></b> tab in <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>, select
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>H</span></b>
+from the dialog box by double clicking on the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Type</span></b> column. Then do <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Set
+atom refinement flags</span></b>. Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>X-coordinates</span></b>; this will set those
+for all H-atoms. Now do <span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span>,
+the console will list progress on the “Penalty function” (i.e. the restraints)
+and the <span class=SpellE>Rwp</span> drops in my case to ~7.05%. One can
+increase the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>Restraint weight factors</span></b> to tighten them up at some
+expense in <span class=SpellE>Rwp</span>. In the end I chose <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b>
+for both <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Bond</span></b>
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Angle</span></b>
+restraints to give a final <span class=SpellE>Rwp</span> ~7.1%.</p>
 
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
 
+<p class=MsoNormal><o:p>&nbsp;</o:p></p>
+
 </div>
 

trunk/help/gsasII.html

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>111</o:Revision>
-  <o:TotalTime>3720</o:TotalTime>
+  <o:Revision>112</o:Revision>
+  <o:TotalTime>3721</o:TotalTime>
   <o:Created>2011-11-28T16:49:00Z</o:Created>
-  <o:LastSaved>2013-03-12T17:43:00Z</o:LastSaved>
+  <o:LastSaved>2013-03-20T14:25:00Z</o:LastSaved>
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   <o:Company>Argonne National Laboratory</o:Company>
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+@list l9
+        {mso-list-id:734669460;
+        mso-list-type:hybrid;
+        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l9:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level2
+        {mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l9:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l10
+        {mso-list-id:742676264;
+        mso-list-template-ids:713467934;}
+@list l10:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:45.0pt;
+        text-indent:-.25in;}
+@list l10:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:1.0in;
@@ -1305 +1385 @@
         mso-ansi-font-weight:normal;
         mso-ansi-font-style:normal;}
-@list l8:level3
+@list l10:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l8:level4
+@list l10:level4
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l8:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l8:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l8:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l8:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l8:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9
-        {mso-list-id:656106218;
-        mso-list-type:hybrid;
-        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l9:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l9:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l10
-        {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;
@@ -1415 +1415 @@
         text-indent:-.25in;}
 @list l11
-        {mso-list-id:742676264;
-        mso-list-template-ids:713467934;}
+        {mso-list-id:850026630;
+        mso-list-type:hybrid;
+        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
 @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-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        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:919948450;
+        mso-list-template-ids:-445226636;}
+@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;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level4
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l12:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13
+        {mso-list-id:1035230400;
+        mso-list-type:hybrid;
+        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l13:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level2
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l13:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14
+        {mso-list-id:1074664733;
+        mso-list-type:hybrid;
+        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l14:level1
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:1.0in;
+        text-indent:-.25in;
+        mso-ansi-font-weight:normal;}
+@list l14:level2
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l14:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l15
+        {mso-list-id:1211770204;
+        mso-list-type:hybrid;
+        mso-list-template-ids:-399582512 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l15:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:.25in;
+        text-indent:-.25in;}
+@list l15:level2
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:.75in;
+        text-indent:-.25in;}
+@list l15:level3
+        {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 l15:level4
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:1.75in;
+        text-indent:-.25in;}
+@list l15:level5
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:2.25in;
+        text-indent:-.25in;}
+@list l15:level6
+        {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 l15:level7
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.25in;
+        text-indent:-.25in;}
+@list l15:level8
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        margin-left:3.75in;
+        text-indent:-.25in;}
+@list l15:level9
+        {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 l16
+        {mso-list-id:1323200535;
+        mso-list-type:hybrid;
+        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l16:level1
+        {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;
+        text-indent:-.25in;}
+@list l16:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l16:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17
+        {mso-list-id:1326516832;
+        mso-list-type:hybrid;
+        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l17:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level2
+        {mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l17:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l18
+        {mso-list-id:1394309879;
+        mso-list-template-ids:326264828;}
+@list l18:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l18:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:1.0in;
@@ -1431 +1734 @@
         mso-ansi-font-weight:normal;
         mso-ansi-font-style:normal;}
-@list l11:level3
+@list l18:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level4
+@list l18:level4
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level5
+@list l18:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level6
+@list l18:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level7
+@list l18:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level8
+@list l18:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level9
+@list l18:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l12
-        {mso-list-id:850026630;
+@list l19
+        {mso-list-id:1413820461;
         mso-list-type:hybrid;
-        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l12:level1
+        mso-list-template-ids:-399582512 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+@list l19:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level2
+        margin-left:.25in;
+        text-indent:-.25in;}
+@list l19: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;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l12:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13
-        {mso-list-id:919948450;
-        mso-list-template-ids:-445226636;}
-@list l13:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level4
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l13:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14
-        {mso-list-id:1035230400;
-        mso-list-type:hybrid;
-        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l14:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l14:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15
-        {mso-list-id:1074664733;
-        mso-list-type:hybrid;
-        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l15:level1
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:1.0in;
-        text-indent:-.25in;
-        mso-ansi-font-weight:normal;}
-@list l15:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l15:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l16
-        {mso-list-id:1211770204;
-        mso-list-type:hybrid;
-        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:.75in;
         text-indent:-.25in;}
-@list l16:level3
+@list l19:level3
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -1648 +1784 @@
         margin-left:1.25in;
         text-indent:-9.0pt;}
-@list l16:level4
+@list l19:level4
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:1.75in;
         text-indent:-.25in;}
-@list l16:level5
+@list l19:level5
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -1659 +1795 @@
         margin-left:2.25in;
         text-indent:-.25in;}
-@list l16:level6
+@list l19:level6
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -1665 +1801 @@
         margin-left:2.75in;
         text-indent:-9.0pt;}
-@list l16:level7
+@list l19:level7
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:3.25in;
         text-indent:-.25in;}
-@list l16:level8
+@list l19:level8
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -1676 +1812 @@
         margin-left:3.75in;
         text-indent:-.25in;}
-@list l16:level9
+@list l19:level9
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -1682 +1818 @@
         margin-left:4.25in;
         text-indent:-9.0pt;}
-@list l17
-        {mso-list-id:1323200535;
+@list l20
+        {mso-list-id:1602683002;
         mso-list-type:hybrid;
-        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l17:level1
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:1.0in;
-        text-indent:-.25in;}
-@list l17:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l17:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18
-        {mso-list-id:1326516832;
-        mso-list-type:hybrid;
-        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l18:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l18:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19
-        {mso-list-id:1394309879;
-        mso-list-template-ids:326264828;}
-@list l19:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level2
-        {mso-level-number-format:alpha-lower;
-        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 l19:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level4
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l19:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l20
-        {mso-list-id:1413820461;
-        mso-list-type:hybrid;
-        mso-list-template-ids:-399582512 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
+        mso-list-template-ids:120980256 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
@@ -1822 +1830 @@
         mso-level-tab-stop:none;
         mso-level-number-position:left;
-        margin-left:.75in;
         text-indent:-.25in;}
 @list l20:level3
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        margin-left:1.25in;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l20:level4
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:1.75in;
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
         text-indent:-.25in;}
 @list l20:level5
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:2.25in;
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
         text-indent:-.25in;}
 @list l20:level6
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        margin-left:2.75in;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l20:level7
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:3.25in;
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
         text-indent:-.25in;}
 @list l20:level8
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        margin-left:3.75in;
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
         text-indent:-.25in;}
 @list l20:level9
-        {mso-level-number-format:roman-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:right;
-        margin-left:4.25in;
-        text-indent:-9.0pt;}
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l21
-        {mso-list-id:1602683002;
-        mso-list-type:hybrid;
-        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l21:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l21:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l22
         {mso-list-id:1669404025;
         mso-list-type:hybrid;
         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l22:level1
+@list l21:level1
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -1916 +1870 @@
         text-indent:-.25in;
         mso-ansi-font-weight:normal;}
+@list l21:level2
+        {mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level3
+        {mso-level-tab-stop:112.5pt;
+        mso-level-number-position:left;
+        margin-left:112.5pt;
+        text-indent:-.25in;}
+@list l21:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l21:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l22
+        {mso-list-id:1753089587;
+        mso-list-template-ids:1555050902;}
+@list l22:level1
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l22:level2
         {mso-level-tab-stop:1.0in;
@@ -1921 +1915 @@
         text-indent:-.25in;}
 @list l22:level3
-        {mso-level-tab-stop:112.5pt;
-        mso-level-number-position:left;
-        margin-left:112.5pt;
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
         text-indent:-.25in;}
 @list l22:level4
@@ -1950 +1943 @@
         text-indent:-.25in;}
 @list l23
-        {mso-list-id:1753089587;
-        mso-list-template-ids:1555050902;}
-@list l23:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level2
-        {mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level4
-        {mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l23:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        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
+@list l23:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:.75in;
         text-indent:-.25in;}
-@list l24:level2
+@list l23:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -2003 +1957 @@
         margin-left:1.25in;
         text-indent:-.25in;}
-@list l24:level3
+@list l23:level3
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -2009 +1963 @@
         margin-left:1.75in;
         text-indent:-9.0pt;}
-@list l24:level4
+@list l23:level4
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:2.25in;
         text-indent:-.25in;}
-@list l24:level5
+@list l23:level5
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -2020 +1974 @@
         margin-left:2.75in;
         text-indent:-.25in;}
-@list l24:level6
+@list l23:level6
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -2026 +1980 @@
         margin-left:3.25in;
         text-indent:-9.0pt;}
-@list l24:level7
+@list l23:level7
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         margin-left:3.75in;
         text-indent:-.25in;}
-@list l24:level8
+@list l23:level8
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -2037 +1991 @@
         margin-left:4.25in;
         text-indent:-.25in;}
-@list l24:level9
+@list l23:level9
         {mso-level-number-format:roman-lower;
         mso-level-tab-stop:none;
@@ -2043 +1997 @@
         margin-left:4.75in;
         text-indent:-9.0pt;}
-@list l25
+@list l24
         {mso-list-id:2029942403;
         mso-list-template-ids:1555050902;}
-@list l25:level1
+@list l24:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level2
+@list l24:level2
         {mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level3
+@list l24:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level4
+@list l24:level4
         {mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level5
+@list l24:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level6
+@list l24:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level7
+@list l24:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level8
+@list l24:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l25:level9
+@list l24:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l26
+@list l25
         {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
+        {mso-level-tab-stop:none;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level2
+        {mso-level-tab-stop:1.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level3
+        {mso-level-tab-stop:1.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level4
+        {mso-level-tab-stop:2.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level6
+        {mso-level-tab-stop:3.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level7
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level8
+        {mso-level-tab-stop:4.0in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l25:level9
+        {mso-level-tab-stop:4.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l26
+        {mso-list-id:2114591880;
+        mso-list-template-ids:-445226636;}
 @list l26:level1
         {mso-level-tab-stop:none;
@@ -2091 +2084 @@
         text-indent:-.25in;}
 @list l26:level2
-        {mso-level-tab-stop:1.0in;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
@@ -2099 +2093 @@
         text-indent:-.25in;}
 @list l26:level4
-        {mso-level-tab-stop:2.0in;
+        {mso-level-number-format:alpha-lower;
+        mso-level-tab-stop:2.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
@@ -2119 +2114 @@
         text-indent:-.25in;}
 @list l26:level9
-        {mso-level-tab-stop:4.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27
-        {mso-list-id:2114591880;
-        mso-list-template-ids:-445226636;}
-@list l27:level1
-        {mso-level-tab-stop:none;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level2
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:1.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level3
-        {mso-level-tab-stop:1.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level4
-        {mso-level-number-format:alpha-lower;
-        mso-level-tab-stop:2.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level5
-        {mso-level-tab-stop:2.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level6
-        {mso-level-tab-stop:3.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level7
-        {mso-level-tab-stop:3.5in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level8
-        {mso-level-tab-stop:4.0in;
-        mso-level-number-position:left;
-        text-indent:-.25in;}
-@list l27:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
@@ -2279 +2233 @@
 <p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
 
-<p class=MsoNormal><strong><a href="Charge%20Flipping%20in%20GSAS.htm"><span
-style='font-weight:normal'>Charge flipping structure solution</span></a>
-(future)<o:p></o:p></strong></p>
+<p class=MsoNormal><strong><span style='font-weight:normal'>Charge flipping
+structure solution</span> &#8211; <a href="Charge%20Flipping%20in%20GSAS.htm"><span
+class=SpellE><span style='font-weight:normal'>jadarite</span></span></a> &amp; <a
+href="Charge%20Flipping%20-%20sucrose.htm"><span style='font-weight:normal'>sucrose</span></a><o:p></o:p></strong></p>
+
+<p class=MsoNormal><strong><o:p>&nbsp;</o:p></strong></p>
 
 <div class=MsoNormal align=center style='text-align:center'><span
@@ -2316 +2273 @@
 as outlined below: <o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo1'><![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
@@ -2322 +2279 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2335 +2292 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2346 +2303 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2356 +2313 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2365 +2322 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2374 +2331 @@
 GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><b
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo1'><![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;
@@ -2381 +2338 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2394 +2351 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2403 +2360 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2413 +2370 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2423 +2380 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2436 +2393 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2444 +2401 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2452 +2409 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2458 +2415 @@
 item from the data tree. A dialog box with a list of choices is presented.</p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo1'><![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]>Menu
@@ -2464 +2421 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2474 +2431 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2494 +2451 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2503 +2460 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2510 +2467 @@
 normal'><a href="#Controls">Controls</a></b> data tree item.</p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo1'><![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
@@ -2519 +2476 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2525 +2482 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
@@ -2539 +2496 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
@@ -2553 +2510 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 level3 lfo1;tab-stops:list 1.5in'><![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
@@ -2568 +2525 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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
@@ -2583 +2540 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 level3 lfo1;tab-stops:list 1.5in'><![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
@@ -2591 +2548 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
+auto;text-indent:-.25in;mso-list:l13 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'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
@@ -2600 +2557 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2615 +2572 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2628 +2585 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2641 +2598 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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
@@ -2650 +2607 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><b
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2659 +2616 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2671 +2628 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2683 +2640 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2695 +2652 @@
 
 <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
+auto;text-indent:-.25in;mso-list:l13 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;
@@ -2705 +2662 @@
 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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo1'><![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
@@ -2711 +2668 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2718 +2675 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2727 +2684 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2734 +2691 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2744 +2701 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2751 +2708 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l14 level2 lfo1'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l13 level2 lfo1'><![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
@@ -2814 +2771 @@
 <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:l18 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo2'><![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
@@ -2826 +2783 @@
 Hessian&#8217; for routine work.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo2'><![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
@@ -2836 +2793 @@
 to 1.0.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo2'><![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
@@ -2848 +2805 @@
 performance.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo2'><![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
@@ -2860 +2817 @@
 cycles.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo2'><![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
@@ -2892 +2849 @@
 <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:l21 level1 lfo3'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo3'><![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
-parameter types you wish to constrain. 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:l21 level1 lfo3'><![if !supportLists]><span
+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;<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:l20 level1 lfo3'><![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
@@ -2906 +2863 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l20 level2 lfo3'><![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]><span
@@ -2924 +2881 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l20 level2 lfo3'><![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
@@ -2943 +2900 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l20 level2 lfo3'><![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
@@ -2957 +2914 @@
 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;
-text-indent:-.25in;mso-list:l21 level2 lfo3'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l20 level2 lfo3'><![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
@@ -2977 +2934 @@
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
 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
+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=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 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
@@ -2990 +2947 @@
 &#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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 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
@@ -2998 +2955 @@
 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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 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
@@ -3004 +2961 @@
 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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 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
@@ -3010 +2967 @@
 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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 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
@@ -3021 +2978 @@
 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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 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
@@ -3029 +2986 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3039 +2996 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3050 +3007 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3061 +3018 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3081 +3038 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3090 +3047 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l11 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
@@ -3100 +3057 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l12 level2 lfo4'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l11 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
@@ -3121 +3078 @@
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
 
-<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l24 level1 lfo25'><![if !supportLists]><span
+<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l23 level1 lfo5'><![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
@@ -3127 +3084 @@
 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
+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:l23 level1 lfo5'><![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
@@ -3140 +3097 @@
 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
+<h5 style='margin-left:.75in;text-indent:-.25in;mso-list:l23 level1 lfo5'><![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
@@ -3150 +3107 @@
 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
+<h5 style='margin-left:1.25in;text-indent:-.25in;mso-list:l23 level2 lfo5'><![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
@@ -3182 +3139 @@
 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:l25 level1 lfo5'><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l24 level1 lfo6'><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;
@@ -3189 +3146 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l22 level1 lfo6'><span style='mso-bookmark:Comments'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l21 level1 lfo7'><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
@@ -3226 +3183 @@
 <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 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 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
@@ -3237 +3194 @@
 new value.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo7'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 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
-style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
-&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
-(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
-line) into position. A left or right mouse click on a data point on the plot
-will set the associated limit. In either case the appropriate value on the
-&#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 lfo7'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'>Modify the values of &#8216;changed&#8217;;
+this can be done on the plot by dragging the limit bars (left &#8211; vertical
+green dashed line, right &#8211; vertical red dashed line) into position. A
+left or right mouse click on a data point on the plot will set the associated
+limit. In either case the appropriate value on the &#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 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
@@ -3254 +3211 @@
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l4 level2 lfo7;tab-stops:list 1.0in'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l4 level2 lfo8;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
@@ -3278 +3235 @@
 &#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 equal,
-inversely equal or equal on a log scale of the x-coordinate. The set of
+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>
@@ -3333 +3290 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
-A set of individual Bragg peaks using the pseudo-Voigt profile function as
-their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
+A set of individual Bragg peaks using the pseudo-Voigt profile function as their
+shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
 &#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
 &#8216;gam&#8217;; each can be selected for refinement. The default values for
@@ -3342 +3299 @@
 <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 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 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
@@ -3349 +3306 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo9'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo10'><![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 lfo9'><![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 lfo10'><![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
@@ -3373 +3330 @@
 &#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
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 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
@@ -3379 +3336 @@
 Background function from the pull down tab.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 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
@@ -3385 +3342 @@
 refine the background coefficients.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo9'><![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
@@ -3391 +3348 @@
 background coefficients to be used (1-36).<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo9'><![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
@@ -3398 +3355 @@
 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 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo9'><![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
@@ -3407 +3364 @@
 with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
 
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo8'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l22 level1 lfo9'><![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
@@ -3422 +3379 @@
 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>
+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>
+
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
+color:#0070C0'><a href="#Peak_List"><span style='color:#0070C0;text-decoration:
+none;text-underline:none'>&#8217;</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="#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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>What
+can I do here?</span></span><span style='mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast;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:l9 level1 lfo11'><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
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Menu
+&#8216;<b style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;</span><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:l18 level2 lfo12;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;
@@ -3452 +3410 @@
 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
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Load
+profile&#8230; <span style='font-weight:normal'>- 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><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:l18 level2 lfo12;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;
@@ -3465 +3422 @@
 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>);
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Save
+profile&#8230; - <span style='font-weight:normal'>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
+can change or add comment records (begins with &#8216;#&#8217;).</span></span><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:l18 level2 lfo12;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;
@@ -3482 +3438 @@
 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
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Reset
+profile <span style='font-weight:normal'>&#8211; resets the values for the instrument
+parameters to the default values shown in parentheses for each entry.</span></span><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:l18 level2 lfo12;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;
@@ -3495 +3449 @@
 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
-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='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l19 level2 lfo11;tab-stops:list 1.0in'><b
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Copy<span
+style='font-weight:normal'> &#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 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;font-weight:normal'>a</span></sub><sub><span
+style='font-weight:normal'>1</span></sub><span style='font-weight:normal'>/K</span><sub><span
+style='font-family:Symbol;font-weight:normal'>a</span></sub><sub><span
+style='font-weight:normal'>2</span></sub><span style='font-weight:normal'>
+ones.</span></span></span><span style='color:windowtext;font-weight:normal;
+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:l18 level2 lfo12;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;
@@ -3521 +3472 @@
 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
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>Copy
+flags <span style='font-weight:normal'>- &#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;font-weight:
+normal'>a</span></sub><sub><span style='font-weight:normal'>1</span></sub><span
+style='font-weight:normal'>/K</span><sub><span style='font-family:Symbol;
+font-weight:normal'>a</span></sub><sub><span style='font-weight:normal'>2</span></sub><span
+style='font-weight:normal'> ones.</span></span></span><span style='color:windowtext;
+font-weight:normal;text-decoration:none;text-underline:none'><o:p></o:p></span></a></span></b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo11'><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
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>You
+can change any of the profile coefficients</span><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo11'><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>
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Peak_List\0022 "'>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 style='mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast'><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>
+display for highly correlated parameters.</span><o:p></o:p></span></a></span></p>
 
 <h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
-"Times New Roman"'><a href="#Covariance"><span style='color:#4F81BD;mso-themecolor:
-accent1'>Sample Parameters<o:p></o:p></span></a></span></u></h4>
+"Times New Roman"'><a href="#Peak_List"><span style='color:#4F81BD;mso-themecolor:
+accent1'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>Sample
+Parameters</span><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>
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>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>).</span><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
+Powder_Peaks'><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span></span></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
+<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l7 level1 lfo13'><span
 style='mso-bookmark:Powder_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
@@ -3591 +3540 @@
 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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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: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;
+normal;mso-bidi-font-weight:bold'>Menu &#8216;</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext'>File&#8217;</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
+bold'> &#8211; </span></span></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:1.0in;text-indent:-.25in;mso-list:l7 level2 lfo13;
 tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
@@ -3606 +3556 @@
 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
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Load</span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'> &#8211; this loads sample parameters from a
+previously saved .<span class=SpellE>samprm</span> file.</span></span></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;
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l7 level2 lfo13;
 tab-stops:list 1.0in'><span style='mso-bookmark:Powder_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
@@ -3619 +3572 @@
 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
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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 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.</span></span></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>
+none;text-underline:none'><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 lfo12;tab-stops:list 1.0in'><span
+text-indent:-.25in;mso-list:l7 level2 lfo13;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>
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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
+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. </span></span></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'><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 lfo12;tab-stops:list 1.0in'><span
+text-indent:-.25in;mso-list:l7 level2 lfo13;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>
+</span></span></span><![endif]><span style='color:windowtext;text-decoration:
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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 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. </span></span></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'><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>
+Powder_Peaks'><span style='mso-bookmark:_Ref350849079'><span style='color:#4F81BD;
+mso-themecolor:accent1;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></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>
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>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.</span><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
+Index_Peaks'><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman"'>What can I do here? </span></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'><o:p></o:p></span></span></a></h5>
 
-<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l11 level1 lfo13'><span
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l10 level1 lfo14'><span
 style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
@@ -3690 +3650 @@
 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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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:
+normal;mso-bidi-font-weight:bold'>Menu &#8216;</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext'>Peak Fitting</span><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
+bold'>&#8217; &#8211; </span></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'>&#8217; &#8211; <o:p></o:p></span></span></a></h5>
-
-<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo13;
+none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3705 +3667 @@
 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'>Auto search</span></span><span
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Auto search</span><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'> &#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.</span></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; 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;
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3720 +3685 @@
 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;
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span><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.</span></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'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3736 +3704 @@
 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;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;text-decoration:none;text-underline:none'>UnDo</span></span></span><span
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
+class=SpellE>PeakFit</span></span><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 class=SpellE><span style='mso-fareast-font-family:
+"Times New Roman";color:windowtext'>UnDo</span></span><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.</span></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'> 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;
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3766 +3734 @@
 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
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
+cycle </span><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.</span></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; 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;
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3780 +3751 @@
 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
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
+and gam </span><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.</span></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; 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;
+none;text-underline:none'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo14;
 tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'></span><a
 href="#Covariance"><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
@@ -3794 +3768 @@
 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;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
+</span></span></span><![endif]><span style='color:#4F4FFF;text-decoration:none;
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span><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.</span></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'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l10 level1 lfo14'><span
 style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
@@ -3807 +3783 @@
 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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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
+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.</span></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'><o:p></o:p></span></span></a></h5>
+
+<h5 style='margin-left:45.0pt;text-indent:-.25in;mso-list:l10 level1 lfo14'><span
 style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
@@ -3823 +3803 @@
 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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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>
+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.</span></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'><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:
+auto;text-indent:-.25in;mso-list:l10 level1 lfo14'><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>
+style='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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.</span></span></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>
 
 <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
+text-indent:-.25in;mso-list:l10 level1 lfo14'><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='color:windowtext;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>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><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:l10 level1 lfo14'><span
 style='mso-bookmark:Index_Peaks'></span><a href="#Covariance"><span
 style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
@@ -3862 +3850 @@
 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='color:#4F4FFF;text-decoration:none;text-underline:none'><span
+style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><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></a></h5>
+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 corresponding peak will be removed
+from the Peak List. Be sure that the Zoom/Pan buttons are not selected on the
+Plot window.</span></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'><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='color:#4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:
+none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'><span
+style='mso-fareast-font-family:"Times New Roman"'>Index Peak List</span></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>
@@ -3880 +3873 @@
 <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>
+text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Covariance\0022 "'>This
+window shows the list of peaks that will be used for indexing (see <span
+style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><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>).
+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
+style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><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><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
+href="#Covariance"><span style='color:#4F4FFF;text-decoration:none;text-underline:
+none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'>What
+can I do here?</span><o:p></o:p></span></a></span></h5>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l25 level1 lfo15'><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>
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Unit_Cells_List\0022 "'>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 style='mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast'><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>
+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 style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
+minor-fareast'><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> table to the position shown here.</span><o:p></o:p></span></a></span></p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l25 level1 lfo15'><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'>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'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>You
+may deselect individual peaks from indexing by unchecking the corresponding
+&#8216;use&#8217; box.</span><o:p></o:p></span></a></span></p>
 
 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
@@ -3933 +3922 @@
 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>
+none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>Unit
+Cells List</span></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>
+none;text-underline:none'><span style='mso-field-code:" HYPERLINK \0022\0022 \\l \0022Instrument_Parameters\0022 "'>This
+window shows the controls and results from indexing of the peaks in <span
+class=GramE>the </span><span style='mso-field-code:" HYPERLINK  \\l \0022Index_Peak_List\0022 "'><u><span
+style='color:blue'>Index_Peak_List</span></u></span><!--[if supportFields]><span
+style='mso-element:field-begin'></span> REF Index_Peak_List \h <![endif]--><!--[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
+</xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><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>
+style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h <![endif]--><!--[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
+</xml><![endif]--><!--[if supportFields]><span style='mso-element:field-end'></span><![endif]--><!--[if supportFields]><span
 style='mso-element:field-begin'></span><span
-style='mso-spacerun:yes'>&nbsp;</span>REF Index_Peak_List \h </span><![endif]--><span