Changeset 4971

Timestamp:

Jun 22, 2021 5:22:02 PM (2 years ago)

Author:

vondreele

Message:

 

Location:

trunk/help

Files:

• gsasII-phase.html (modified) (103 diffs)
• gsasII-phase_files/filelist.xml (deleted)
• gsasII-phase_files/image001.png (added)
• gsasII-phase_files/image002.png (deleted)
• gsasII-phase_files/image003.png (added)
• gsasII-phase_files/image004.png (deleted)
• gsasII-phase_files/image005.png (added)
• gsasII-phase_files/image006.png (deleted)
• gsasII-phase_files/image007.png (added)
• gsasII-phase_files/image008.png (deleted)
• gsasII-phase_files/image009.png (added)
• gsasII-phase_files/image010.png (added)
• gsasII-phase_files/image011.png (deleted)
• gsasII-phase_files/image012.png (added)
• gsasII-phase_files/image013.png (deleted)
• gsasII-phase_files/image014.png (added)
• gsasII-phase_files/image015.png (deleted)
• gsasII-phase_files/image016.png (added)
• gsasII-phase_files/image017.png (deleted)
• gsasII-phase_files/image018.png (added)
• gsasII-phase_files/image019.png (deleted)
• gsasII-phase_files/image020.png (added)
• gsasII-phase_files/image021.png (deleted)
• gsasII-phase_files/image022.png (added)
• gsasII-phase_files/image023.png (added)
• gsasII-phase_files/image024.png (deleted)
• gsasII-phase_files/image025.png (added)
• gsasII-phase_files/image026.png (deleted)
• gsasII-phase_files/image027.png (added)
• gsasII-phase_files/image028.png (deleted)
• gsasII-phase_files/image029.png (added)
• gsasII-phase_files/image030.png (deleted)
• gsasII-phase_files/image031.png (added)
• gsasII-phase_files/image032.png (deleted)
• gsasII-phase_files/image033.png (added)
• gsasII-phase_files/image034.png (deleted)
• gsasII-phase_files/image035.png (added)
• gsasII-phase_files/image036.png (deleted)
• gsasII-phase_files/image037.png (added)
• gsasII-phase_files/image038.png (deleted)
• gsasII-phase_files/image039.png (added)
• gsasII-phase_files/image040.png (deleted)
• gsasII-phase_files/image041.png (added)
• gsasII-phase_files/image042.png (deleted)
• gsasII-phase_files/image043.png (added)
• gsasII-phase_files/image044.png (added)
• gsasII-phase_files/image045.png (modified) (previous)
• gsasII-phase_files/image046.png (added)
• gsasII-phase_files/image047.png (modified) (previous)
• gsasII-phase_files/image048.png (added)
• gsasII-phase_files/item0058.xml (added)
• gsasII-phase_files/props059.xml (added)

trunk/help/gsasII-phase.html

@@ -24 +24 @@
  <o:DocumentProperties>
   <o:Author>Von Dreele</o:Author>
-  <o:LastAuthor>Toby, Brian H.</o:LastAuthor>
-  <o:Revision>25</o:Revision>
-  <o:TotalTime>5122</o:TotalTime>
+  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
+  <o:Revision>31</o:Revision>
+  <o:TotalTime>5325</o:TotalTime>
   <o:Created>2021-06-20T02:30:00Z</o:Created>
-  <o:LastSaved>2021-06-22T16:05:00Z</o:LastSaved>
-  <o:Pages>22</o:Pages>
-  <o:Words>8277</o:Words>
-  <o:Characters>47182</o:Characters>
+  <o:LastSaved>2021-06-22T22:15:00Z</o:LastSaved>
+  <o:Pages>1</o:Pages>
+  <o:Words>8400</o:Words>
+  <o:Characters>47880</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>393</o:Lines>
-  <o:Paragraphs>110</o:Paragraphs>
-  <o:CharactersWithSpaces>55349</o:CharactersWithSpaces>
+  <o:Lines>399</o:Lines>
+  <o:Paragraphs>112</o:Paragraphs>
+  <o:CharactersWithSpaces>56168</o:CharactersWithSpaces>
   <o:Version>16.00</o:Version>
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@@ -42 +42 @@
  </o:OfficeDocumentSettings>
 </xml><![endif]-->
-<link rel=dataStoreItem href="gsasII-phase_files/item0054.xml"
-target="gsasII-phase_files/props055.xml">
+<link rel=dataStoreItem href="gsasII-phase_files/item0058.xml"
+target="gsasII-phase_files/props059.xml">
 <link rel=themeData href="gsasII-phase_files/themedata.thmx">
 <link rel=colorSchemeMapping href="gsasII-phase_files/colorschememapping.xml">
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
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   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -689 +688 @@
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@@ -699 +698 @@
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@@ -1342 +1342 @@
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+@list l2:level1
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+@list l2:level2
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+@list l2:level6
         {mso-level-number-format:roman-lower;
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+@list l2:level7
         {mso-level-tab-stop:none;
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-@list l3:level8
+@list l2:level8
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-@list l3:level9
+@list l2:level9
         {mso-level-number-format:roman-lower;
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         text-indent:-9.0pt;}
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+@list l3:level3
+        {mso-level-tab-stop:1.5in;
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+@list l3:level4
+        {mso-level-tab-stop:2.0in;
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+@list l3:level5
+        {mso-level-tab-stop:2.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
+@list l3:level6
+        {mso-level-tab-stop:3.0in;
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+@list l3:level7
+        {mso-level-tab-stop:3.5in;
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+@list l3:level8
+        {mso-level-tab-stop:4.0in;
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+@list l3:level9
+        {mso-level-tab-stop:4.5in;
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 @list l4
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 @list l4:level1
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@@ -1579 +1553 @@
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         mso-level-number-position:left;
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@@ -1587 +1561 @@
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@@ -1595 +1569 @@
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@@ -1603 +1577 @@
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@@ -1611 +1585 @@
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@@ -1619 +1593 @@
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@@ -1627 +1601 @@
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@@ -1635 +1609 @@
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@@ -1643 +1617 @@
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 @list l5
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 @list l5:level1
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+        {mso-level-tab-stop:none;
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 @list l5:level2
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 @list l5:level3
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+        {mso-level-tab-stop:1.5in;
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 @list l5:level4
-        {mso-level-number-format:bullet;
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+        {mso-level-number-format:alpha-lower;
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 @list l5:level5
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+        {mso-level-tab-stop:2.5in;
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 @list l5:level6
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-        mso-level-number-position:left;
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-        font-family:Wingdings;}
+        {mso-level-tab-stop:3.0in;
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+        text-indent:-.25in;}
 @list l5:level7
-        {mso-level-number-format:bullet;
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-        font-family:Symbol;}
+        {mso-level-tab-stop:3.5in;
+        mso-level-number-position:left;
+        text-indent:-.25in;}
 @list l5:level8
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+        {mso-level-tab-stop:4.0in;
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 @list l5:level9
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+        {mso-level-tab-stop:4.5in;
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 @list l6
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 @list l6:level1
         {mso-level-tab-stop:none;
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         text-indent:-.25in;}
 @list l6:level2
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-@list l8:level8
-        {mso-level-tab-stop:4.0in;
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-@list l8:level9
-        {mso-level-tab-stop:4.5in;
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-@list l9
-        {mso-list-id:1005204035;
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-        margin-left:63.8pt;
-        text-indent:-.25in;}
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         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:99.8pt;
@@ -1893 +1675 @@
         margin-left:99.8pt;
         text-indent:-.25in;}
-@list l9:level3
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         {mso-level-tab-stop:135.8pt;
         mso-level-number-position:left;
         margin-left:135.8pt;
         text-indent:-.25in;}
-@list l9:level4
+@list l6:level4
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:171.8pt;
@@ -1904 +1686 @@
         margin-left:171.8pt;
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-@list l9:level5
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         mso-level-number-position:left;
         margin-left:207.8pt;
         text-indent:-.25in;}
-@list l9:level6
+@list l6:level6
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         mso-level-number-position:left;
         margin-left:243.8pt;
         text-indent:-.25in;}
-@list l9:level7
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         {mso-level-tab-stop:279.8pt;
         mso-level-number-position:left;
         margin-left:279.8pt;
         text-indent:-.25in;}
-@list l9:level8
+@list l6:level8
         {mso-level-tab-stop:315.8pt;
         mso-level-number-position:left;
         margin-left:315.8pt;
         text-indent:-.25in;}
-@list l9:level9
+@list l6:level9
         {mso-level-tab-stop:351.8pt;
         mso-level-number-position:left;
         margin-left:351.8pt;
         text-indent:-.25in;}
-@list l10
+@list l7
         {mso-list-id:1074664733;
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         mso-list-template-ids:-861403150 1141245230 67698713 67698703 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l10:level1
+@list l7:level1
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -1940 +1722 @@
         text-indent:-.25in;
         mso-ansi-font-weight:normal;}
-@list l10:level2
+@list l7:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
         mso-level-number-position:left;
         text-indent:-.25in;}
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         {mso-level-tab-stop:1.5in;
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         {mso-level-tab-stop:3.0in;
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+@list l7:level7
         {mso-level-tab-stop:3.5in;
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+@list l7:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l10:level9
+@list l7:level9
         {mso-level-tab-stop:4.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11
+@list l8
         {mso-list-id:1323200535;
         mso-list-type:hybrid;
         mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
-@list l11:level1
+@list l8:level1
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:none;
@@ -1983 +1765 @@
         margin-left:1.0in;
         text-indent:-.25in;}
-@list l11:level2
+@list l8:level2
         {mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l11:level3
+@list l8:level3
         {mso-level-tab-stop:1.5in;
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-@list l11:level4
+@list l8:level4
         {mso-level-tab-stop:2.0in;
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-@list l11:level5
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-@list l11:level6
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-@list l11:level7
+@list l8:level7
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-@list l11:level8
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-@list l11:level9
+@list l8:level9
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+@list l9
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+@list l9:level1
         {mso-level-tab-stop:.5in;
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+@list l9:level2
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+@list l9:level3
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+@list l9:level4
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+@list l9:level8
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+@list l9:level9
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+@list l10
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+@list l10:level1
         {mso-level-tab-stop:none;
         mso-level-number-position:left;
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+@list l10:level2
         {mso-level-number-format:alpha-lower;
         mso-level-tab-stop:1.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
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+@list l10:level3
         {mso-level-tab-stop:1.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l13: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 l13:level5
+@list l10:level5
         {mso-level-tab-stop:2.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l13:level6
+@list l10:level6
         {mso-level-tab-stop:3.0in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l13:level7
+@list l10:level7
         {mso-level-tab-stop:3.5in;
         mso-level-number-position:left;
         text-indent:-.25in;}
-@list l13:level8
+@list l10:level8
         {mso-level-tab-stop:4.0in;
         mso-level-number-position:left;
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-@list l13:level9
+@list l10:level9
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         mso-level-number-position:left;
@@ -2165 +1947 @@
  <v:imagedata src="gsas2logo.png"/>
  <w:wrap type="square" anchory="line"/>
-</v:shape><![endif]--><![if !vml]><img width=96 height=96 src=gsas2logo.png
+</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
 align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
 style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II – Phase Tree
@@ -2171 +1953 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-is where to find help on the Phase Tree items in GSAS-II. Note that the window
-displayed for this page has multiple tabs. The help information is broken down
-by tab section. <o:p></o:p></span></p>
+is where to find help on the Phase Tree items in GSAS-II. Note that the window displayed
+for this page has multiple tabs. The help information is broken down by tab
+section. <o:p></o:p></span></p>
 
 <h2 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -2208 +1990 @@
 text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b
-style='mso-bidi-font-weight:normal'>Compute’</b> – The compute menu shows
-computations that are possible for this phase. </span></p>
-
-<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;text-indent:
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b style='mso-bidi-font-weight:
+normal'>Compute’</b> – The compute menu shows computations that are possible
+for this phase. </span></p>
+
+<p class=MsoNormal style='margin-left:121.5pt;mso-add-space:auto;text-indent:
 -.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
-maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Fourier map - </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>compute Fourier maps
 according to the controls set at bottom of General page.<o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Search maps</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+<p class=MsoListParagraphCxSpFirst style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+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><span
+style='mso-fareast-font-family:"Times New Roman"'>Search map - </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>search the computed Fourier
 map. Peaks that are above ‘Peak cutoff’ % of the maximum will be found in this
@@ -2234 +2013 @@
 href="#Phase-Map_peaks">Map peaks</a>’ page. This page will immediately be <span
 class=GramE>shown</span> and the peaks will be shown on the structure drawing
-for this phase as white 3-D crosses.<o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Charge flipping </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+for this phase as white 3-D crosses.<b><o:p></o:p></b></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+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><span
+style='mso-fareast-font-family:"Times New Roman"'>Charge flipping - </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>This performs a charge
 flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure solution
@@ -2253 +2032 @@
 doesn’t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
 normal'>Cancel</b> button to stop the charge flipping. The resulting map will
-be positioned to properly place symmetry operators (NB: depends on the quality
-of the resulting phases), searched for peaks and the display shifts to <b
-style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Clear map </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>This clears any
+be positioned to properly place symmetry operators (<span class=GramE>NB:</span>
+depends on the quality of the resulting phases), searched for peaks and the
+display shifts to <b style='mso-bidi-font-weight:normal'>Map peaks</b> to show
+them.<b><o:p></o:p></b></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>4D Charge flipping – </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>Charge flipping is done for a
+modulated structure.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 99.0pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Clear map -</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> This clears any
 Fourier/charge flip map from memory; the Fourier map controls are also cleared.<o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Transform</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;mso-add-space:auto;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>This allows for a change in
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>MC/SA</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – Perform Monte
+Carlo/Simulated Annealing structure solution using the model as set up in the
+MC/SA tab.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Multi MC/SA</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – Perform multiple Monte
+Carlo/Simulated Annealing structure solutions, accumulating the best ones as
+set up in the MC/SA tab.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Transform </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>- This allows for a change in
 axes, symmetry or unit cell. It is also used to create a magnetic phase from a
 chemical (nuclear) phase. One important transformation that can be done here is
-for Origin 1 settings to Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>)
-<o:p></o:p></span></p>
+for Origin 1 settings to Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>).<b><o:p></o:p></b></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Compare
+– </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Compares
+idealized <span class=SpellE>polyhedra</span> (tetrahedron &amp; octahedron) to
+those obtained from a Reverse Monte Carlo run.<b><o:p></o:p></b></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Select
+magnetic/subgroup phase – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>allows
+selection of the results from a magnetic subgroup analysis done in the
+Phase/Unit cells list tab. This will generate a new magnetic phase. Can also be
+used to select from possible subgroups of a nonmagnetic super group for
+possible symmetry reduction. See <a href="gsasII-pwdr.html#PWDR_Unit_Cells_List">Unit
+cells list</a> for further information.<b><o:p></o:p></b></span></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:.5in 45.8pt 91.6pt 1.5in 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Protein quality</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – evaluate protein quality
+by python versions of <span class=SpellE>errat</span> &amp; errat2 codes by <span
+class=SpellE>Colovos</span>, C. &amp; <span class=SpellE>Yeates</span>, T.O. Protein
+Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -2280 +2116 @@
 text-underline:none'><o:p>&nbsp;</o:p></span></span></p>
 
-<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='margin-left:73.2pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
-of the General page that can be changed are Phase name, Phase type, Space
-group, unit cell parameters &amp; refine flag. These are described in turn:<span
-class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span style='mso-fareast-font-family:
+"Times New Roman"'>The items in the upper part of the General page that can be
+changed are Phase name, Phase type, Space group, unit cell parameters &amp;
+refine flag. These are described in turn:<span class=MsoHyperlink><span
+style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – this is the name assigned
-to this phase. It should only be changed when the phase is initialized or
-imported.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+to this phase. It can be changed at any time.<span class=MsoHyperlink><span
+style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase type – </span></b><span
+style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Phase type – </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>this can only be set when
 there are no atoms in the Atoms page for this phase. Select it when the phase
 is initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – this should be set when
 the phase is initialized; it can be changed later. Be careful about the impact
 on Atom site symmetry and multiplicity if you do. GSAS-II will recognize any
 legal space group symbol using the short Hermann-<span class=SpellE>Mauguin</span>
-forms; put a space between the axial fields (<span class=GramE>e.g.</span> ‘F d
-3 m’ not ‘Fd3m’). For space groups with a choice of origin (<span class=GramE>e.g.</span>
-F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where the center of
-inversion is located at the origin. The choice of space group will set the available
-unit cell parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+forms; put a space between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’; ‘F d 3
+m’ is understood as well as ‘F d -3 m’). For space groups with a choice of
+origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where the
+center of inversion is located at the origin. The choice of space group will
+set the available unit cell parameters.<span class=MsoHyperlink><span
+style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>Refine unit cell</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'> – set this flag to refine the unit cell parameters in a
-Rietveld or Pawley refinement. The actual parameters refined are the symmetry
-allowed terms (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i
-style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
-mso-fareast-font-family:"Times New Roman"'><br>
-</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
+unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
+set this flag to refine the unit cell parameters in a Rietveld or Pawley
+refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
+in the expression</span><i style='mso-bidi-font-style:normal'><span
+style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman"'><br>
+</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc m:val="left"/></m:oMathParaPr><m:oMath><m:sSup><m:sSupPr><span
     style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
@@ -2426 +2262 @@
   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
   mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
-style='font-size:12.0pt;font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
-minor-fareast;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Arial;
-mso-bidi-theme-font:minor-bidi;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:252pt;height:14pt'>
- <v:imagedata src="gsasII-phase_files/image001.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=252 height=14
-src="gsasII-phase_files/image002.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='font-size:11.0pt;line-height:107%;font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-fareast-font-family:"Times New Roman";
+mso-fareast-theme-font:minor-fareast;mso-hansi-theme-font:minor-latin;
+mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
+mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
+ <v:imagedata src="gsasII-phase_files/image001.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=335 height=19
+src="gsasII-phase_files/image002.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
+<span style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman";
+mso-bidi-font-style:italic'>A0-A5 correspond to the reciprocal metric tensor
+elements G<sub>11</sub>, G<sub>22</sub>, G<sub>33</sub>, 2*G<sub>12</sub>, 2*G<sub>13</sub>
+&amp; 2*G<sub>23</sub>.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>a, b, c, alpha,
-beta, gamma</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– lattice parameters; only those permitted by the space group are shown. The <span
-class=GramE>volume<span style='mso-spacerun:yes'>  </span>is</span> computed
-from the values entered.</span><span class=MsoHyperlink><span style='color:
-windowtext'><o:p></o:p></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>a, b, c, alpha, beta, gamma</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; only
+those permitted by the space group are shown. The volume is computed from the
+values entered.</span><span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
-Atoms <span class=GramE>page</span> then the Elements table is shown next on
-the General page; you may select the isotope (only relevant for neutron
-diffraction experiments). The density (just above the Elements) is computed
-depending on this choice, the unit cell volume and the atom fractions/site
-multiplicities in the entries on the Atoms page.<span class=MsoHyperlink><span
-style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span style='mso-fareast-font-family:
+"Times New Roman"'>If there are entries in the Atoms <span class=GramE>page</span>
+then the Elements table is shown next on the General page; you may select the
+isotope (only relevant for neutron diffraction experiments). The density (just
+above the Elements) is computed depending on this choice, the unit cell volume
+and the atom fractions/site multiplicities in the entries on the Atoms page.<span
+class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-style='mso-fareast-font-family:"Times New Roman"'>Next are the Pawley controls.<span
-class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span style='mso-fareast-font-family:
+"Times New Roman"'>Next are the Pawley controls.<span class=MsoHyperlink><span
+style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Do Pawley
-refinement?</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– This must be chosen to perform a Pawley refinement as opposed to a Rietveld
-refinement for this phase. <b style='mso-bidi-font-weight:normal'>NB:</b> you
-probably should clear the <b style='mso-bidi-font-weight:normal'>Histogram
-scale factor</b> refinement flag (found in <b style='mso-bidi-font-weight:normal'>Sample
-parameters</b> for the powder data set) as it cannot be refined simultaneously
-with the Pawley reflection intensities.<span class=MsoHyperlink><span
-style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Do Pawley refinement?</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – This must be chosen to
+perform a Pawley refinement as opposed to a Rietveld refinement for this phase.
+<b style='mso-bidi-font-weight:normal'>NB:</b> you probably should clear the <b
+style='mso-bidi-font-weight:normal'>Histogram scale factor</b> refinement flag
+(found in <b style='mso-bidi-font-weight:normal'>Sample parameters</b> for the
+powder data set) as it cannot be refined simultaneously with the Pawley
+reflection intensities.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley <span
-class=SpellE>dmin</span></span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– This is the minimum d-spacing to be used in a Pawley refinement. <b
-style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this to match the
-minimum d-spacing indicated by the powder pattern limits (see <b
-style='mso-bidi-font-weight:normal'>Limits</b> for the powder data set).<span
-class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmin</span></span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – This is the minimum
+d-spacing to be used in a Pawley refinement. <b style='mso-bidi-font-weight:
+normal'>NB:</b> be sure to set this to match the minimum d-spacing indicated by
+the powder pattern limits (see <b style='mso-bidi-font-weight:normal'>Limits</b>
+for the powder data set).<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – This is the weight for a
 penalty function applied during a Pawley refinement on resulting negative
-intensities. Use with caution; initially try very small values (<span
-class=GramE>e.g.</span> .01). A value of zero means no penalty is applied.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+intensities. Use with caution; initially try very small values (e.g. .01). A
+value of zero means no penalty is applied.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
-shown next on the General page. A completed Rietveld or Pawley refinement is
-required before a Fourier map can be computed. Select the desired type of map,
-the source of the reflection set and the map resolution desired. The peak
-cutoff is defined as a percentage of the maximum and defines the lowest level
-considered in the peak search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span style='mso-fareast-font-family:
+"Times New Roman"'>Fourier map controls are shown next on the General page.
+Single crystal data or a completed Rietveld or Pawley refinement is required
+before a Fourier map can be computed. Select the desired type of map, the
+source of the reflection set and the map resolution desired. The peak cutoff is
+defined as a percentage of the maximum and defines the lowest level considered
+in the peak search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-style='mso-fareast-font-family:"Times New Roman"'>Charge flip controls are
-below the Fourier map controls.<span class=MsoHyperlink><span style='color:
-windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span style='mso-fareast-font-family:
+"Times New Roman"'>Charge flip controls are below the Fourier map controls.<span
+class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection set
-from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – This
-is the source of structure factors to be used in a charge flip calculation.
-These may be either a single crystal data set, or structure factors extracted
-from a powder pattern via a Pawley refinement or a Rietveld refinement.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Reflection sets </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>– This is the source of
+structure factors to be used in a charge flip calculation. These may be either
+a single crystal data set, or structure factors extracted from a powder pattern
+via a Pawley refinement or a Rietveld refinement.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Normalizing
-element </span></b><span style='mso-fareast-font-family:"Times New Roman"'>–
-This is an element form factor chosen to normalize the structure factors before
-charge flipping. <b style='mso-bidi-font-weight:normal'>None</b> (the default)
-can be selected from the lower right of the Periodic Table display shown when
-this is selected.<span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>– This is an element form
+factor chosen to normalize the structure factors before charge flipping. <b
+style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
+the lower right of the Periodic Table display shown when this is selected.<span
+class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Resolution </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is the resolution of
-the charge flip map; default is 0.5A. The set of reflections is expanded to a
-full sphere and zero filled to this resolution limit; this suite of reflections
-is then used for charge flipping.<span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Map grid step </span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>– This is the step size of the
+charge flip map; default is 0.25A. The set of reflections is expanded to a full
+sphere and zero filled to this 2X this value; this suite of reflections is then
+used for charge flipping.<span class=MsoHyperlink><span style='color:windowtext;
+text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>k-Factor</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'> – This is the threshold on the density map, all densities
-below this are charge flipped.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+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"'>k-Factor</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – This is the threshold on
+the density map, all densities below this are charge flipped.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>k-Max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– This is an upper threshold on the density may; all densities above this are
-charge flipped. In this way the “uranium solution” problem is avoided. Use
-k-Max = 10-12 for equal atom problems and larger for heavy atom ones.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
+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"'>k-Max</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – This is an upper threshold
+on the density map; all densities above this are charge flipped. In this way
+the “uranium solution” problem is avoided. Use k-Max = 10-12 for equal atom
+problems and larger for heavy atom ones (2X largest atom number).<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Test HKLs</span></b><span
+style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
+plot of phases for selected <span class=SpellE>hkls</span> are shown at end of
+charge flipping run.</span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level1 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>Monte
-Carlo/Simulated Annealing controls are at the bottom of the window. (Future
-capability &amp; under development).<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+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"'>Monte Carlo/Simulated
+Annealing controls are at the bottom of the window. <o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>Reflection set from</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'> – This is the source of structure factors to be used in a
-charge flip calculation. These may be either a single crystal data set, or
-structure factors extracted from a powder pattern via a Pawley refinement or a
-Rietveld refinement.<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
+set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
+This is the source of structure factors to be used in a charge flip
+calculation. These may be either a single crystal data set, or structure
+factors extracted from a powder pattern via a Pawley refinement or a Rietveld
+refinement.<o:p></o:p></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>d-min
+</span></b><span style='mso-fareast-font-family:"Times New Roman"'>- This
+restricts the set of reflections to be used in the MC/SA run. Suggest no lower
+than 2.0.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
+auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>MC/SA
+runs</span></b><span style='mso-fareast-font-family:"Times New Roman";
+mso-bidi-font-weight:bold'> – pulldown with selection of number of trials to be
+done.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>d-min </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>- This restricts the set of
-reflections to be used in the MC/SA run.</span><span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>MC/SA Refine</span></b><span
+style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
+requires a refinement of parameters over range about each test position.</span><span
+class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-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; </span></span></span><![endif]><span
-dir=LTR></span><span class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><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]><span
+class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
-none;text-underline:none'>MC/SA algorithm</span></b></span><span
+none;text-underline:none'>MC/SA schedule</span></b></span><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'> – This selects the
-type of jump to be used for each MC/SA trial.</span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+schedule for the “temperature” to be used during MC/SA run. For ‘fast’ and
+‘log’, coefficients control details of schedule; a plot shows the scheduled
+temperatures for the set of steps.</span></span></p>
+
+<p class=MsoListParagraphCxSpLast style='margin-left:121.5pt;mso-add-space:
 auto;text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
-none;text-underline:none'>Annealing schedule</span></b></span><span
+style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span class=MsoHyperlink><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'>Annealing schedule</span></b></span><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'> – This selects the
-beginning MC/SA “temperature”, final “temperature”, slope and number of trials
-at each step.<o:p></o:p></span></span></p>
-
-<p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l0 level2 lfo2;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span
-class=MsoHyperlink><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
-none;text-underline:none'>A-jump &amp; B-jump</span></b></span><span
-class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'> – If the “<span
-class=SpellE>Tremayne</span>” algorithm is chosen these determine the jump
-components for each trial.<o:p></o:p></span></span></p>
+beginning MC/SA “temperature”, final “temperature”, and number of trials at
+each step.<o:p></o:p></span></span></p>
 
 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -2680 +2527 @@
 point in the structure does not contain a center of symmetry. Origin 1 places
 the origin at the highest symmetry setting while Origin 2 places the origin at
-a center of symmetry (creating a -<span class=GramE>x,-</span>y,-z symmetry
-operator, which means that reflection phases can only be 0 or π.) GSAS-II
-requires use of the Origin 2 settings because computations are much faster and
-simpler without complex structure factors. Alas, the literature contains <span
-class=GramE>a number of</span> structures reported in Origin 1, where the
-origin choice may not be clearly communicated. (The CIF standard does not
-require that origin choice be indicated.) When a structure is imported that
-uses any of the space groups where an origin choice is possible, a message is
-shown in GSAS-II notifying the user that they must confirm that the origin
-choice is correct. <o:p></o:p></span></p>
+a center of symmetry (creating a -x,-y,-z symmetry operator, which means that
+reflection phases can only be 0 or π.) GSAS-II requires use of the Origin 2
+settings because computations are much faster and simpler without complex
+structure factors. Alas, the literature contains a number of structures
+reported in Origin 1, where the origin choice may not be clearly communicated.
+(The CIF standard does not require that origin choice be indicated.) When a
+structure is imported that uses any of the space groups where an origin choice
+is possible, a message is shown in GSAS-II notifying the user that they must
+confirm that the origin choice is correct. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
 style='mso-fareast-font-family:"Times New Roman"'>Example:</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> An example of what can go
-wrong is illustrated with the structure of anatase. The space group is <i>I</i>
-4<sub>1</sub>/<i>a m d</i>. In Origin 1 the coordinates are: <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> An example of what can go wrong
+is illustrated with the structure of anatase. The space group is <i>I</i> 4<sub>1</sub>/<i>a
+m d</i>. In Origin 1 the coordinates are: <o:p></o:p></span></p>
 
 <table class=MsoNormalTable border=0 cellpadding=0 style='mso-cellspacing:1.5pt;
@@ -2818 +2664 @@
  <v:imagedata src="gsasII_files/wrong.png"/>
  <w:wrap type="square" anchory="line"/>
-</v:shape><![endif]--><![if !vml]><img width=241 height=143
+</v:shape><![endif]--><![if !vml]><img width=322 height=190
 src="gsasII_files/wrong.png" align=right v:shapes="Picture_x0020_3"><![endif]><span
-style='mso-fareast-font-family:"Times New Roman"'>Since GSAS-II always the
-symmetry operators for Origin 2, if structure is input incorrectly with the coordinates
-set for Origin 1, there are several <span class=GramE>fairly obvious</span>
-signs of problems: (1) the site symmetries and multiplicities are wrong, often
-giving an incorrect chemical formula, (2) the interatomic distances are
-incorrect, and (3) a plot of the structure is improbable. In this case
-incorrect multiplicities gives rise to a density of 7.9 g/cc, double the
-correct value. Impossible interatomic distances of 1.88Å for <span
-class=SpellE><span class=GramE>Ti-Ti</span></span>, and 1.39Å for <span
+style='mso-fareast-font-family:"Times New Roman"'>Since GSAS-II always the symmetry
+operators for Origin 2, if structure is input incorrectly with the coordinates
+set for Origin 1, there are several fairly obvious signs of problems: (1) the
+site symmetries and multiplicities are wrong, often giving an incorrect
+chemical formula, (2) the interatomic distances are incorrect, and (3) a plot
+of the structure is improbable. In this case incorrect multiplicities gives
+rise to a density of 7.9 g/cc, double the correct value. Impossible interatomic
+distances of 1.88Å for <span class=SpellE>Ti-Ti</span>, and 1.39Å for <span
 class=SpellE>Ti</span>-O are seen. The unit cell contents with the wrong space
-group operators <span class=GramE>is</span> shown to the right. <o:p></o:p></span></p>
+group operators is shown to the right. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -2852 +2697 @@
  <v:imagedata src="gsasII_files/xform.png"/>
  <w:wrap type="square" anchory="line"/>
-</v:shape><![endif]--><![if !vml]><img width=273 height=340
+</v:shape><![endif]--><![if !vml]><img width=364 height=453
 src="gsasII_files/xform.png" align=right v:shapes="Picture_x0020_4"><![endif]><b><span
 style='mso-fareast-font-family:"Times New Roman"'>Transform Origin:</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> To transform a space group
-setting from Origin setting 1 to 2, use the Transform option in the Compute
-menu and then select the last option in the &quot;Common transformations&quot;
+setting from Origin setting 1 to 2, use the Transform option in the Compute menu
+and then select the last option in the &quot;Common transformations&quot;
 pulldown menu, which will be setting 1-&gt;2 for space groups where both
 origins are available, as shown to the right. The transformation matrix will be
@@ -2871 +2716 @@
 name=Phase-Data></a><a name="_Data"></a><u>Data</u></h4>
 
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Depending on the setting for
-preference variable </span><span class=SpellE><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-fareast-font-family:"Times New Roman";
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SeparateHistPhaseTreeItem</span></span><span
-style='mso-fareast-font-family:"Times New Roman"'>, these items may be
-displayed connected to data tree item “Hist/Phase” or may appear in the Data
-tab for each phase.<o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Note that GSAS-II has four
-types of controls/parameters: <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l2 level1 lfo23;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>Global: affects overall program function</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo23;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>Phase: includes atoms, lattice parameters, texture… </span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo23;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>Histogram: includes instrument &amp; sample parameters, data
-limits</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l2 level1 lfo23;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>Histogram/Phase. This controls which histograms are
-connected to each phase as well as specifies phase fractions, for powders:
-crystallite size, <span class=SpellE>microstrain</span>, preferred orientation,
-etc. If there are N used phases and M used histograms, there are N*M sets of Histogram/Phase
-controls/parameters.</span></p>
-
-<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
-
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
-GUI section serves several purposes. It is used to link histograms to the
-selected <span class=GramE>phase</span> and it allows the values and refinement
-flags to be set for the parameters that are defined for each histogram-phase
-pair, including: the phase fraction; the sample contribution to peak
-broadening: <span class=SpellE>microstrain</span> and crystallite size; a <span
-class=SpellE>LeBail</span> intensity extraction flag; hydrostatic/elastic
-strain shifts to lattice parameters; corrections to peak intensities due to
-experimental effects (preferred orientation, extinction and disordered
-solvents). It can also be used to show a graphical representation of an HAP
-parameter set.</p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
+tab serves several purposes. It is used to link histograms to the selected <span
+class=GramE>phase</span> and it allows the values and refinement flags to be
+set for the parameters that are defined for each histogram-phase pair, labeled
+as HAP parameters. [Note that some GSAS-II parameters are defined for each
+phase (atomic positions, for example), other parameters are defined for each
+histogram (scale factors and instrumental constants, for example) but the HAP
+parameters have values for each histogram in each phase.] It can also be used
+to show a graphical representation of an HAP parameter set.</p>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
+HAP parameters include: the phase fraction; the sample contribution to peak
+broadening: <span class=SpellE>microstrain</span> and crystallite size; a
+LeBail intensity extraction flag; hydrostatic/elastic strain shifts to lattice
+parameters; corrections to peak intensities due to experimental effects
+(preferred orientation, extinction and disordered solvents).</p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>For
 single crystal data, the only parameters are scale, extinction and disordered
-solvent; there is no Sample Parameters histogram scale factor.</p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
+solvent. There is no Sample Parameters histogram scale factor.</p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2950 +2744 @@
 style='mso-fareast-font-family:"Times New Roman"'>When the Use flag is
 selected, the currently selected phase is used to compute intensities as a
-contribution to the selected histogram (single-crystal histograms can be
-associated with only one phase; powder histograms can be linked to any number
-of phases). When not set, the phase is not present in the selected histogram. It
-is also possible to remove the reference to a histogram from a phase with the “Remove
-Histogram” item in the “Edit Phase” menu. <o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>LeBail</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> extraction </span></b><span
+contribution to the selected histogram (single-crystal histograms can have only
+one phase; powder histograms can have any number of associated phases). When
+not set, the phase is not present in the selected histogram. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>LeBail extraction </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
@@ -2964 +2755 @@
 style='mso-fareast-font-family:"Times New Roman"'>When this is selected,
 intensities are set to values that are <span class=GramE>best-fit</span> using
-the <span class=SpellE>LeBail</span> intensity determination method, rather
-than are computed from the atomic information for the phase. Cycling this
-setting will reset <span class=SpellE>LeBail</span> extracted intensities to
-their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
+the LeBail intensity determination method rather than are computed from the
+atomic information for the phase. Cycling this setting will reset LeBail
+extracted intensities to their default (F<sup>2</sup> = 100).<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2974 +2764 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Used in powder histograms: a
+style='mso-fareast-font-family:"Times New Roman"'>used in powder histograms: a
 multiplier that determines the relative amount of the selected phase to a
 histogram. Note that when the histogram scale factor is varied, these values
@@ -2986 +2776 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data
-only: relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>used for single crystal <span
+class=GramE>data:</span> relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2994 +2784 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Is computed from size
+style='mso-fareast-font-family:"Times New Roman"'>is computed from size
 factor(s) in microns (10<sup>-6</sup> m), with the Scherrer constant assumed as
 unity. Sizes can be computed in three ways: isotropic, uniaxial and
-ellipsoidal. <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l4 level1 lfo24;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>In isotropic broadening, crystallites are assumed to average
-as uniform in all directions and a single size value is <span class=GramE>supplied;</span>
-<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l4 level1 lfo24;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>With uniaxial broadening, a preferred direction (as a
-crystallographic axis, such as 0,0,1 is supplied) -- note that for most crystal
-systems only one axis makes sense -- and two size parameters are defined, one for
-along the axis and one for in the perpendicular <span class=GramE>plane;</span>
-<o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l4 level1 lfo24;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>·<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>With
-ellipsoidal, six terms are used to define a broadening tensor that has
-arbitrary orientation -- this model may require constraints and is seldomly
-needed.<b><o:p></o:p></b></span></p>
-
-<p class=MsoNormal style='margin-left:.75in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>LGmix</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'>: Note that size broadening
-is usually Lorentzian, which corresponds to a <span class=SpellE>LGmix</span>
-value of 1.0; if this value is between 0. and 1., both Gaussian and Lorentz
-size broadening is modeled and a value of 0.0 is pure Gaussian. Values less
-than 0. or greater than 1. make no physical sense. <o:p></o:p></span></p>
+ellipsoidal. In isotropic broadening, crystallites are assumed to average as
+uniform in all directions and a single size value is supplied; with uniaxial
+broadening, a preferred direction (as a crystallographic axis, such as 0,0,1 is
+supplied) -- note that for most crystal systems only one axis makes sense --
+and two size parameters are defined, one for along the axis and one for in the
+perpendicular plane; with ellipsoidal, six terms are used to define a
+broadening tensor that has arbitrary orientation -- this model may require
+constraints and is seldomly needed. Note that size broadening is usually
+Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
+1.0; if this value is between 0. and 1., both Gaussian and Lorentz size
+broadening is modeled and a value of 0.0 is pure Gaussian. Values less than 0.
+or greater than 1. make no physical sense. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -3046 +2809 @@
 fraction of <span class=SpellE>Δd</span>/d (or equivalently ΔQ/Q) times 10<sup>6</sup>.
 <span class=SpellE>Microstrain</span> can be computed in three ways: isotropic,
-uniaxial and generalized. <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l5 level1 lfo25;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>In isotropic broadening, <span class=SpellE>microstrain</span>
+uniaxial and generalized. In isotropic broadening, <span class=SpellE>microstrain</span>
 broadening assumed to be the same in all crystallographic directions and a
-single value is <span class=GramE>supplied;</span> <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l5 level1 lfo25;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>With uniaxial broadening, a preferred direction (as a
+single value is supplied; with uniaxial broadening, a preferred direction (as a
 crystallographic axis, such as 0,0,1) is supplied -- note that for most crystal
 systems only one axis makes sense -- and two <span class=SpellE>microstrain</span>
 parameters are defined, one for along the axis and one for in the perpendicular
-<span class=GramE>plane;</span> <o:p></o:p></span></p>
-
-<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l5 level1 lfo25;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
-style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>With generalized, the Nicolae Popa/Peter Stephens
-second-order expansion model is <span class=GramE>used</span> and the number of
-terms will depend on the crystal system. It is typically possible to refine all
-terms when significant anisotropic strain broadening is present. <o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.75in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>LGmix</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'>: Note that <span
-class=SpellE>microstrain</span> broadening is usually Lorentzian, which
-corresponds to a <span class=SpellE>LGmix</span> value of 1.0; if this value is
-between 0. and 1., both Gaussian and Lorentz broadening is modeled and a value
-of 0.0 is pure Gaussian. Values less than 0. or greater than 1. make no
-physical sense. <o:p></o:p></span></p>
+plane; with generalized, the Nicole Popa/Peter Stephens second-order expansion
+model is used and the number of terms will depend on the crystal system. It is
+typically possible to refine all terms when significant anisotropic strain
+broadening is present. Note that <span class=SpellE>microstrain</span>
+broadening is usually Lorentzian, which corresponds to a <span class=SpellE>LGmix</span>
+value of 1.0; if this value is between 0. and 1., both Gaussian and Lorentz
+broadening is modeled and a value of 0.0 is pure Gaussian. Values less than 0.
+or greater than 1. make no physical sense. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -3107 +2844 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>is treated in one of two ways.
-Intensity corrections can be added to the model here or a full texture model is
-possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
+style='mso-fareast-font-family:"Times New Roman"'>is treated in one of two
+ways. Intensity corrections can be added to the model here or a full texture
+model is possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
 tab (which usually requires multiple histograms at different sample or detector
 settings). The approaches available here are March-<span class=SpellE>Dollase</span>,
 which requires a definition of a unique axis (in crystallographic coordinates)
 and the relative amount of excess or depletion of crystallites in that
-direction; or Spherical Harmonics, where the selection of an order determines the
-shape of the probability surface (which is always constrained to match the
+direction; or Spherical Harmonics, where the selection of an order determines
+the shape of the probability surface (which is always constrained to match the
 symmetry of the crystal system). <o:p></o:p></span></p>
 
@@ -3155 +2892 @@
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo4;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo4;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>In this
-tab, menu items allow copying values or refinement flags to histograms/phases
-and selection of which histograms are used in the current phase. <o:p></o:p></span></p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>In this tab, menu items allow
+copying values or refinement flags to histograms/phases and selection of which
+histograms are used in the current phase. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
-margin-left:.5in;text-indent:-.25in;mso-list:l12 level1 lfo4;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo4;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><span style='mso-fareast-font-family:"Times New Roman"'>The plot
-selection items allow for three dimensional representations of the <span
-class=SpellE>microstrain</span> or crystallite size distributions (which are
-spheres for isotropic treatments); preferred orientation can be plotted as a
-Psi scan (a plot of relative crystallite abundance for a particular reflection
-as a function of azimuthal angle) or as an inverse pole figure (which shows in
-a stereographic projection the probability distribution for different
-reciprocal lattice directions for a particular sample orientation). <o:p></o:p></span></p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>The plot selection items
+allow for three dimensional representations of the <span class=SpellE>microstrain</span>
+or crystallite size distributions (which are spheres for isotropic treatments);
+preferred orientation can be plotted as a Psi scan (a plot of relative
+crystallite abundance for a particular reflection as a function of azimuthal
+angle) or as an inverse pole figure (which shows in a stereographic projection
+the probability distribution for different reciprocal lattice directions for a
+particular sample orientation). <o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -3192 +2929 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span>1. Atom selection from table - These are controlled by the mouse
-and the Shift/Ctrl/Alt keys. Note that for most purposes (one exception is atom
-reordering which requires an Alt-Left-click on the rows), selection of any cell
-for an atom will work equivalently with selection of the entire row. Upon
-selection the atoms will turn green in the structure drawing:</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Atom
+selection from table </b>- These are controlled by the mouse and the Shift/Ctrl/Alt
+keys. Note that for most purposes (one exception is atom reordering which
+requires an Alt-Left-click on the rows), selection of any cell for an atom will
+work equivalently with selection of the entire row. Upon selection the atoms
+will turn green in the structure drawing:</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Left Mouse
-Button (LMB)</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– on a row number selects the atom.<span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Left Mouse Button (LMB)</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
+the atom.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects all
-atoms from last selection to the selected row (or top is none previously
+style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
+all atoms from last selection to the selected row (or top is none previously
 selected).<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
 none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><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;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Ctrl LMB</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – on a row number
 selects/deselects the atom.<span class=MsoHyperlink><span style='color:windowtext;
@@ -3236 +2973 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
+style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
-that atom for moving; the status line at bottom of window will show name of atom
-selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
+that atom for moving; the status line at bottom of window will show name of
+atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
 select a target row for this atom; insertion will be before this row and the
 table will be updated to show the change. NB: <span class=GramE>the</span> <b
@@ -3252 +2989 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Double left click a Type column heading</b>: a dialog box is shown that
-allows you to select all atoms with that type. <span class=MsoHyperlink><span
-style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
-none;text-underline:none'><o:p></o:p></span></span></p>
+style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
+left <span class=GramE>click</span> a Type column heading</b>: a dialog box is
+shown that allows you to select all atoms with that type. <span
+class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
+color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Double click a refine or I/A column heading</b><span style='mso-fareast-font-family:
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
+click a refine or I/A column heading</b><span style='mso-fareast-font-family:
 "Times New Roman"'>: a dialog box will be shown with choices to be applied to
 every atom in the list.<span class=MsoHyperlink><span style='color:windowtext;
@@ -3274 +3011 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><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;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Atom data item
-editing tools</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-– These are controlled by the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b>
-ignored, <b style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b
-style='mso-bidi-font-weight:normal'>Ctrl</b> allow selection of multiple <span
-class=GramE>cells</span> but no use is made of them). An individual data item
-can be cut/pasted anywhere including from/to another document. Bad entries are
-rejected. If any entry is changed, press <b style='mso-bidi-font-weight:normal'>Enter</b>
-key or select another atom entry to apply the change.<span class=MsoHyperlink><span
+style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Atom data item editing tools</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by
+the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
+style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
+normal'>Ctrl</b> allow selection of multiple <span class=GramE>cells</span> but
+no use is made of them). An individual data item can be cut/pasted anywhere
+including from/to another document. Bad entries are rejected. If any entry is
+changed, press <b style='mso-bidi-font-weight:normal'>Enter</b> key or select
+another atom entry to apply the change.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
+style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Name</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – can change to any text
 string. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
@@ -3302 +3039 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
+style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>Type</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – causes a popup display of
 the Periodic Table of the elements; select the element/valence desired; the
@@ -3314 +3051 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><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;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>refine</span></b><span
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>refine</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of
 allowed refinement flag choices to be shown; select one (top entry is blank for
@@ -3326 +3063 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span class=SpellE><span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>x,y</span></b></span><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
+style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>x,y</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
 style='mso-fareast-font-family:"Times New Roman"'> – change atom coordinate.
-Fractions (<span class=GramE>e.g.</span> 1/3, 1/4) are allowed.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><span class=SpellE><span
-class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
-"Times New Roman"'>frac,Uiso</span></b></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
+style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
 style='mso-fareast-font-family:"Times New Roman"'> – change these values;
 fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
@@ -3353 +3087 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'><span
-style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'><span style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
+style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – select one of <b
 style='mso-bidi-font-weight:normal'>I</b>(<span class=SpellE>sotropic</span>)
@@ -3368 +3102 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Edit Atoms’ - </b>The
-edit menu shows operations that can be performed on your selected atoms. You
-must select one or more atoms before using many of the menu items.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+‘<b style='mso-bidi-font-weight:normal'>Edit Atoms’ - </b>The edit menu shows
+operations that can be performed on your selected atoms. You must select one or
+more atoms before using many of the menu items.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b>On selected atoms …</b> - </p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>On
+selected atoms …</b> - </p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Refine selected </b>– A
-popup dialog box appears; select refinement flags to apply to all selected
-atoms.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Refine selected </b>– A popup dialog box
+appears; select refinement flags to apply to all selected atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Modify parameters</b> – A
-popup dialog box appears with a list of atom parameter names; select one to
-apply to all selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b>
-will rename selected atoms according to position in table (e.g. <span
-class=GramE>Na(</span>1) for Na atom as 1<sup>st</sup> atom in list in row
-‘0’). <b style='mso-bidi-font-weight:normal'>Type</b> will give periodic table
-popup; selected element valence will be used for all selected atoms and atoms
-names will be changed. <b style='mso-bidi-font-weight:normal'>I/A</b> will give
-popup with choices to be used for all selected atoms. <span class=SpellE><span
-class=GramE><b style='mso-bidi-font-weight:normal'>x,y</b></span><b
-style='mso-bidi-font-weight:normal'>,z</b></span> will give popup for shift to
-be applied to the parameter for all selected atoms. <span class=SpellE><b
-style='mso-bidi-font-weight:normal'>Uiso</b></span> and <b style='mso-bidi-font-weight:
-normal'>frac</b> will give popup for new value to be used for all selected
-atoms. </p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Modify parameters</b> – A popup dialog box
+appears with a list of atom parameter names; select one to apply to all
+selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename selected
+atoms according to position in table (e.g. <span class=GramE>Na(</span>1) for
+Na atom as 1<sup>st</sup> atom in list in row ‘0’). <b style='mso-bidi-font-weight:
+normal'>Type</b> will give periodic table popup; selected element valence will
+be used for all selected atoms and atoms names will be changed. <b
+style='mso-bidi-font-weight:normal'>I/A</b> will give popup with choices to be
+used for all selected atoms. <span class=SpellE><span class=GramE><b
+style='mso-bidi-font-weight:normal'>x,y</b></span><b style='mso-bidi-font-weight:
+normal'>,z</b></span> will give popup for shift to be applied to the parameter
+for all selected atoms. <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span>
+and <b style='mso-bidi-font-weight:normal'>frac</b> will give popup for new
+value to be used for all selected atoms. </p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b>Set viewpoint</b> – Set the viewpoint to be position of 1st
-selected atom</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b>Set
+viewpoint</b> – Set the viewpoint to be position of 1st selected atom</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Move atom to viewpoint </b>–
-Move a single atom to viewpoint in plot.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Move atom to viewpoint </b>– Move a single
+atom to viewpoint in plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Insert atom</b> – insert
-an H atom (name= <span class=SpellE>Unk</span>) at 0,0,0 before the selected
-atom, it is also drawn as an H atom in the structure plot.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name= <span
+class=SpellE>Unk</span>) at 0,0,0 before the selected atom, it is also drawn as
+an H atom in the structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Insert viewpoint</b> –
-insert an H atom (name= <span class=SpellE>Unk</span>) before the selected atom
-with coordinates matching the location of the viewpoint, it is also drawn as an
-H atom in the structure plot.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Insert viewpoint</b> – insert an H atom
+(name= <span class=SpellE>Unk</span>) before the selected atom with coordinates
+matching the location of the viewpoint, it is also drawn as an H atom in the
+structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Calc H atoms </b>– insert
-H-atoms in standard positions based on bonding patterns about selected atoms.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Calc H atoms </b>– insert H-atoms in
+standard positions based on bonding patterns about selected atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Delete atom</b> –
-selected atoms will be deleted from the atom list; they should also vanish from
-the structure drawing.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Delete atom</b> – selected atoms will be
+deleted from the atom list; they should also vanish from the structure drawing.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Transform atoms</b> – A
-popup dialog box appears; select space group operator/unit cell translation to
-apply to the selected atoms. You can optionally force the result to be within
-the unit cell and optionally generate a new set of atom positions. You may also
-invert a <span class=SpellE>noncentrosymmetric</span> structure. NB: many of
-these operations only make sense if all atoms are selected.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Transform atoms</b> – A popup dialog box
+appears; select space group operator/unit cell translation to apply to the
+selected atoms. You can optionally force the result to be within the unit cell
+and optionally generate a new set of atom positions. You may also invert a <span
+class=SpellE>noncentrosymmetric</span> structure. NB: many of these operations
+only make sense if all atoms are selected.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-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]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Select all </b>– Selects
-all atoms for further changes. Atoms in drawing will turn green.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Select all </b>– Selects all atoms for
+further changes. Atoms in drawing will turn green.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level4 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
-style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Select from list </b>– A
-popup appears allowing selection of atoms for further changes. Selected atoms
-will turn green.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Select from list </b>– A popup appears
+allowing selection of atoms for further changes. Selected atoms will turn
+green.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Append atom</b> – add an
-H atom (name= <span class=SpellE>Unk</span>) at 0,0,0 to the end of the atom
-table, it is also drawn as an H atom in the structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= <span
+class=SpellE>Unk</span>) at 0,0,0 to the end of the atom table, it is also
+drawn as an H atom in the structure plot.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Append viewpoint</b> –
-add an H atom (name= <span class=SpellE>Unk</span>) to the end of the atom
-table with coordinates matching the location of the viewpoint, it is drawn as
-an H atom in the structure plot.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Append viewpoint</b> – add an H atom (name=
+<span class=SpellE>Unk</span>) to the end of the atom table with coordinates
+matching the location of the viewpoint, it is drawn as an H atom in the
+structure plot.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Update H atoms </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Update H atoms </b>– </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b>Assemble molecule</b> – move atoms to create single <span
-class=GramE>molecule;</span> not appropriate for extended structures.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Assemble
+molecule</b> – move atoms to create single <span class=GramE>molecule;</span>
+not appropriate for extended structures.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b>Collect atoms</b> – move atoms to be closest to selected
-position</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b>Collect atoms</b> – move atoms to be closest
+to selected position</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Reload draw atoms</b> –
-reload drawing atoms from current atom list.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Reload draw atoms</b> – reload drawing
+atoms from current atom list.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l2 level1 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span>Menu<b style='mso-bidi-font-weight:normal'> ‘Compute’ – </b></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu<b
+style='mso-bidi-font-weight:normal'> ‘Compute’ – </b></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Show Distances &amp;
-Angles – </b>compute distances and angles with <span class=SpellE>esds</span>
-(if possible) for selected atoms. A popup dialog box will appear with distance
-angle controls. NB: if atoms have been added or their type changed, you may
-need to do a <b style='mso-bidi-font-weight:normal'>Reset</b> of this dialog
-box before proceeding.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Show Distances &amp; Angles – </b>compute
+distances and angles with <span class=SpellE>esds</span> (if possible) for
+selected atoms. A popup dialog box will appear with distance angle controls.
+NB: if atoms have been added or their type changed, you may need to do a <b
+style='mso-bidi-font-weight:normal'>Reset</b> of this dialog box before
+proceeding.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Save Distances &amp;
-Angles –</b> same as a. but reports result to a file with extension <span
-class=GramE>“.<span class=SpellE>disagl</span></span>”.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as
+a. but reports result to a file with extension <span class=GramE>“.<span
+class=SpellE>disagl</span></span>”.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b>Histogram bonds and angles</b> – forms histograms of bond
-lengths &amp; angles about selected atoms.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Histogram
+bonds and angles</b> – forms histograms of bond lengths &amp; angles about
+selected atoms.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b>Apportion atom frac</b> – after selection of a 2<sup>nd</sup>
-element; this determines from atomic number and neutron scattering length the
-atom fractions of each type for selected atoms and presents results on the
-console.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Apportion
+atom frac</b> – after selection of a 2<sup>nd</sup> element; this determines
+from atomic number and neutron scattering length the atom fractions of each
+type for selected atoms and presents results on the console.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b>Density </b>– calculate density</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b>Density
+</b>– calculate density</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l2 level2 lfo6;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-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; </span></span></span><![endif]><span
-dir=LTR></span><b>ISODISTORT mode values</b> - </p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b>ISODISTORT mode values</b> - </p>
 
 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -3600 +3329 @@
 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Right</b></span></span><b><span
 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button translates
-the fractional coordinates assigned to the viewpoint (which is kept at the
-center of the plot). The structure will appear to translate. The viewpoint can
-also be entered directly in the Draw Options. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button
+translates the fractional coordinates assigned to the viewpoint (which is kept
+at the center of the plot). The structure will appear to translate. The
+viewpoint can also be entered directly in the Draw Options. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -3649 +3378 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:.25in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l7 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l4 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b><span style='mso-fareast-font-family:
-"Times New Roman"'>Key ‘n’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
-Select next atom in the displayed atom list.<o:p></o:p></span></p>
+Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
+‘n’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Select
+next atom in the displayed atom list.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l4 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b><span style='mso-fareast-font-family:
-"Times New Roman"'>Key ‘p’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>:
-Select the previous atom in the displayed atom list.<o:p></o:p></span></p>
+Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
+‘p’</span></b><span style='mso-fareast-font-family:"Times New Roman"'>: Select
+the previous atom in the displayed atom list.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:.25in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l7 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l4 level1 lfo8;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
-Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b><span style='mso-fareast-font-family:
-"Times New Roman"'>Key ‘c’:</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'> Set viewpoint at unit cell center. <span class=GramE>Resets</span>
-n/p selection item to 1<sup>st</sup> atom.<o:p></o:p></span></p>
+Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Key
+‘c’:</span></b><span style='mso-fareast-font-family:"Times New Roman"'> Set
+viewpoint at unit cell center. Resets n/p selection item to 1<sup>st</sup>
+atom.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -3685 +3414 @@
 
 <p class=MsoNormal style='margin-left:.75in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
-Draw Options window provides access to <span class=GramE>a number of</span>
-items that control how the structure is displayed. </p>
+Draw Options window provides access to a number of items that control how the
+structure is displayed. </p>
 
 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -3750 +3479 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom Selection from table</b>:
-select individual atoms by a left click of the mouse when pointed at the left
-most column (atom numbers) of the atom display; hold down the Ctrl key to add
-to your selection; a previously selected atom will be deselected; hold down
-Shift key to select from last in list selected to current selection. A selected
-atom will be highlighted (in grey) and the atoms will be shown in green on the
-plot. Selection without the Ctrl key will clear previous selections. A double
-left click in the (empty) upper left box will select or deselect all atoms.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Atom Selection from table</b>: select
+individual atoms by a left click of the mouse when pointed at the left most
+column (atom numbers) of the atom display; hold down the Ctrl key to add to
+your selection; a previously selected atom will be deselected; hold down Shift
+key to select from last in list selected to current selection. A selected atom
+will be highlighted (in grey) and the atoms will be shown in green on the plot.
+Selection without the Ctrl key will clear previous selections. A double left
+click in the (empty) upper left box will select or deselect all atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>:
-select an atom by a left click of the mouse while holding down the Shift key
-and pointed at the center of the displayed atom, it will turn green if
-successful and the corresponding entry in the table will be highlighted (in
-grey); any previous selections will be cleared. To add <span class=GramE>to
-.your</span> selection use the right mouse button (Shift down); if a previously
-selection is reselected it is removed from the selection list. <b
-style='mso-bidi-font-weight:normal'>NB</b>: beware of atoms that are hiding
-behind the one you are trying to <span class=GramE>select,</span> they may be
-selected inadvertently. You can rotate the structure anytime during the
-selection process.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Atom Selection from plot</b>: select an
+atom by a left click of the mouse while holding down the Shift key and pointed
+at the center of the displayed atom, it will turn green if successful and the
+corresponding entry in the table will be highlighted (in grey); any previous
+selections will be cleared. To add <span class=GramE>to .your</span> selection
+use the right mouse button (Shift down); if a previously selection is
+reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
+normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
+to <span class=GramE>select,</span> they may be selected inadvertently. You can
+rotate the structure anytime during the selection process.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Double left click a Name,
-Type and <span class=SpellE>Sym</span> Op column heading</b>: a dialog box is
-shown that allows you to select all atoms with that characteristic. For
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
+a Name, Type and <span class=SpellE>Sym</span> Op column heading</b>: a dialog
+box is shown that allows you to select all atoms with that characteristic. For
 example, selecting the Type column will show all the atom types; your choice
 will then cause all those atoms to be selected.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Double left click a
-Style, Label or Color column</b>: a dialog box is shown that allows you to
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
+a Style, Label or Color column</b>: a dialog box is shown that allows you to
 select a rendering option for all the atoms. For Color a color choice dialog is
 displayed that covers the entire color spectrum. Choose a color by any of the
@@ -3803 +3531 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The
-edit menu shows operations that can be performed on your selected atoms. You
-must select one or more atoms before using any of the menu items. Most of these
-items can also be accessed by selecting one or more atoms and <span
-class=GramE>right-clicking</span> the mouse.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The edit menu shows
+operations that can be performed on your selected atoms. You must select one or
+more atoms before using any of the menu items. Most of these items can also be
+accessed by selecting one or more atoms and <span class=GramE>right-clicking</span>
+the mouse.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom style</b> – select
-the rendering style for the selected atoms</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Atom style</b> – select the rendering style
+for the selected atoms</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom label</b> – select
-the item to be shown as a label for each atom in selection. The choices <span
-class=GramE>are:</span> none, type, name or number.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be shown
+as a label for each atom in selection. The choices <span class=GramE>are:</span>
+none, type, name or number.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Atom color</b> – select
-the color for the atom; a color choice dialog is displayed that covers the
-entire color spectrum. Choose a color by any of the means available, press the
-“Add to Custom Colors”, select that color in the Custom colors display and then
-press OK.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Atom color</b> – select the color for the
+atom; a color choice dialog is displayed that covers the entire color spectrum.
+Choose a color by any of the means available, press the “Add to Custom Colors”,
+select that color in the Custom colors display and then press OK.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Reset atom colors</b> –
-return the atom color back to their defaults for the selected atoms.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the atom
+color back to their defaults for the selected atoms.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Edit atom radii </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Edit atom radii </b>- </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-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; </span></span></span><![endif]><span
-dir=LTR></span><span class=GramE><b style='mso-bidi-font-weight:normal'>View
-point</b></span> – position the plot view point to the first atom in the
-selection.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>View point</b></span> – position the plot view point to the first atom
+in the selection.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Select from list </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Select from list </b>- </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Add atoms</b> – using the
-selected atoms, new ones are added to the bottom of the list after applying
-your choice of symmetry operator and unit cell translation selected via a
-dialog display. Duplicate atom positions are not retained. Any anisotropic
-thermal displacement parameters (<span class=SpellE>Uij</span>) will be
-transformed as appropriate.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Add atoms</b> – using the selected atoms,
+new ones are added to the bottom of the list after applying your choice of
+symmetry operator and unit cell translation selected via a dialog display.
+Duplicate atom positions are not retained. Any anisotropic thermal displacement
+parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Add sphere of atoms </b>-
-</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add
+sphere of atoms </b>- </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Transform draw atoms</b>
-– apply a symmetry operator and unit cell translation to the set of selected
-atoms; they will be changed in place. Any anisotropic thermal displacement
-parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Transform
+draw atoms</b> – apply a symmetry operator and unit cell translation to the set
+of selected atoms; they will be changed in place. Any anisotropic thermal
+displacement parameters (<span class=SpellE>Uij</span>) will be transformed as
+appropriate.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> –
-using the atoms currently in the draw atom table, find all atoms that belong in
-the coordination sphere around the selected atoms via unit cell translations.
-NB: symmetry operations are not used in this search.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> – using the atoms
+currently in the draw atom table, find all atoms that belong in the
+coordination sphere around the selected atoms via unit cell translations. NB:
+symmetry operations are not used in this search.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>l.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Fill unit cell</b> -
-using the atoms currently selected from the draw atom table, find all atoms
-that fall inside or on the edge/surface/corners of the unit cell. This
-operation is frequently performed before Fill CN-sphere.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
+cell</b> - using the atoms currently selected from the draw atom table, find
+all atoms that fall inside or on the edge/surface/corners of the unit cell.
+This operation is frequently performed before Fill CN-sphere.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>m.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Complete molecule </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Complete molecule </b>– </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>n.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Create void map </b>- </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Create void map </b>- </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>o.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear
-the entire draw atom table; it is then refilled from the Atoms table. You
-should do this operation after any changes in the Atoms table, <span
-class=GramE>e.g.</span> by a structure refinement.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear the entire draw
+atom table; it is then refilled from the Atoms table. You should do this
+operation after any changes in the Atoms table, e.g. by a structure refinement.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>p.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Update draw atoms </b>– </p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l11 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Update draw atoms </b>– </p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l8 level1 lfo12;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>q.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Load selected atoms </b>-
-</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Load selected atoms </b>- </p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l5 level1 lfo10;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span>Menu ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The
-compute menu gives a choice of geometric calculations to be performed with the
-selected atoms. You must select the appropriate number of atoms for these to
-work and the computation is done for the atoms in selection order.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute menu gives a
+choice of geometric calculations to be performed with the selected atoms. You must
+select the appropriate number of atoms for these to work and the computation is
+done for the atoms in selection order.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this
-calculates distance from <span class=GramE>view point</span> to all selected
-draw atoms; result is given on the console window.</p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l8 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this calculates
+distance from <span class=GramE>view point</span> to all selected draw atoms;
+result is given on the console window.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b
-style='mso-bidi-font-weight:normal'>Tors. </b>– when 2-4 atoms are selected, a
-distance, angle or torsion angle will be found for them. The angles are
-computed for the atoms in their selection order. The torsion angle is a <span
-class=GramE>right hand</span> angle about the A2-A3 vector for the sequence of
-atoms A1-A2-A3-A4. An estimated standard deviation is given for the calculated
-value if a current variance-covariance matrix is available. The result is shown
-on the console window; it may be cut &amp; pasted to another application (<span
-class=GramE>e.g.</span> Microsoft Word).</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
+normal'>Tors. </b>– when 2-4 atoms are selected, a distance, angle or torsion
+angle will be found for them. The angles are computed for the atoms in their
+selection order. The torsion angle is a <span class=GramE>right hand</span>
+angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
+estimated standard deviation is given for the calculated value if a current
+variance-covariance matrix is available. The result is shown on the console
+window; it may be cut &amp; pasted to another application (e.g. Microsoft
+Word).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l8 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l5 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Best plane</b> – when 4
-or more atoms are selected, a best plane is determined for them. The result is
-shown on the console window; it may be cut &amp; pasted to another application
-(<span class=GramE>e.g.</span> Microsoft Word). Shown are the atom coordinates
-transformed to Cartesian best plane coordinates where the largest range is over
-the X-axis and the smallest is over the Z-axis with the origin at the
-unweighted center of the selection. Root mean square displacements along each
-axis for the best plane are also listed. The Z-axis RMS value indicates the
-flatness of the proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>:
-if you select (<span class=GramE>e.g.</span> all) atoms then Best plane will
-give Cartesian coordinates for these atoms with respect to a coordinate system
-where the X-axis is along the longest axis of the atom grouping and the Z-axis
-is along the shortest distance. The origin is at the unweighted center of the
-selected atoms.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms are
+selected, a best plane is determined for them. The result is shown on the
+console window; it may be cut &amp; pasted to another application (e.g.
+Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
+plane coordinates where the largest range is over the X-axis and the smallest
+is over the Z-axis with the origin at the unweighted center of the selection.
+Root mean square displacements along each axis for the best plane are also
+listed. The Z-axis RMS value indicates the flatness of the proposed plane. <b
+style='mso-bidi-font-weight:normal'>NB</b>: if you select (e.g. all) atoms then
+Best plane will give Cartesian coordinates for these atoms with respect to a
+coordinate system where the X-axis is along the longest axis of the atom
+grouping and the Z-axis is along the shortest distance. The origin is at the
+unweighted center of the selected atoms.</p>
 
 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -4021 +3745 @@
 "Times New Roman"'><span style='mso-spacerun:yes'>  </span><b>Right</b></span></span><b><span
 style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button
-translates the fractional coordinates assigned to the view point (which is kept
-at the center of the plot). The structure will appear to translate. (On Mac <span
+style='mso-fareast-font-family:"Times New Roman"'>: Holding down right button translates
+the fractional coordinates assigned to the view point (which is kept at the
+center of the plot). The structure will appear to translate. (On Mac <span
 class=SpellE>control+mouse</span> drag will also do this). The <span
 class=GramE>view point</span> can also be entered directly in the Draw Options.
@@ -4092 +3816 @@
 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family:
 "Times New Roman"'><span style='mso-spacerun:yes'>  </span>Holding</span></span><span
-style='mso-fareast-font-family:"Times New Roman"'> down left button (left
-drag): rotates axes around screen x &amp; y <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> down left button (left drag):
+rotates axes around screen x &amp; y <o:p></o:p></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -4124 +3848 @@
 the atoms in the Draw Atoms list and to have atoms displayed as
 &quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The rigid body will be
-displayed as &quot;Ball-and-Sticks<span class=GramE>&quot;</span> but bonds
-will be in green. Use of the Alt key causes the above mouse movements to
-reposition the rigid body rather than change the view of the crystal structure:<o:p></o:p></p>
+displayed as &quot;Ball-and-Sticks&quot; but bonds will be in green. Use of the
+Alt key causes the above mouse movements to reposition the rigid body rather
+than change the view of the crystal structure:<o:p></o:p></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -4157 +3881 @@
 the mouse with the right button down translates the rigid body in the screen x
 &amp; y directions (rotate the plot to see and move in the rigid body in the
-third direction.) Pressing the &quot;Lock&quot; checkbox next to the origin
-location prevents the origin from being changed in this way. </BL><o:p></o:p></span></p>
+third direction.) Pressing the &quot;Lock&quot; checkbox next to the origin location
+prevents the origin from being changed in this way. </BL><o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -4184 +3908 @@
 analysis using GSAS-II employs spherical harmonics modeling, as described by
 Bunge, &quot;Texture Analysis in Materials Science&quot; (1982), and
-implemented by Von <span class=SpellE>Dreele</span>, J. Appl. <span
-class=SpellE>Cryst</span>., <b style='mso-bidi-font-weight:normal'>30</b>,
-517-525 (1997) in GSAS. The even part of the orientation distribution function
-(ODF) via the general axis equation</p>
+implemented by Von Dreele, J. Appl. <span class=SpellE>Cryst</span>., <b
+style='mso-bidi-font-weight:normal'>30</b>, 517-525 (1997) in GSAS. The even
+part of the orientation distribution function (ODF) via the general axis
+equation</p>
 
 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4244 +3968 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:268pt;height:42pt'>
- <v:imagedata src="gsasII-phase_files/image003.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=268 height=42
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:267.75pt;height:42pt'>
+ <v:imagedata src="gsasII-phase_files/image003.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=357 height=56
 src="gsasII-phase_files/image004.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
@@ -4266 +3990 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:33pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image005.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=33 height=26
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:33pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image005.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=44 height=35
 src="gsasII-phase_files/image006.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
@@ -4282 +4006 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:30pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image007.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=30 height=26
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:30pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=40 height=35
 src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 take on values according to the sample and crystal symmetries, respectively,
@@ -4292 +4016 @@
 style='mso-bidi-font-weight:bold'>GSAS-II</span> according to the space group
 symmetry and the user chosen sample symmetry. The available sample symmetries
-are cylindrical, 2/m, mmm and no symmetry. The choice of sample symmetry profoundly
-affects the selection of harmonic coefficients. For example, in the case of
-cylindrical sample symmetry (fiber texture) only <i>k<sub>L</sub><sup>0</sup>(y)</i>
+are cylindrical, 2/m, mmm and no symmetry. The choice of sample symmetry
+profoundly affects the selection of harmonic coefficients. For example, in the
+case of cylindrical sample symmetry (fiber texture) only <i>k<sub>L</sub><sup>0</sup>(y)</i>
 terms are nonzero so the rest are excluded from the summations and the set of <i>C<sub>L</sub><sup>0n</sup></i><sup>
 </sup>coefficients is sufficient to describe the effect on the diffraction
@@ -4308 +4032 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:30pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image009.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=30 height=26
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:30pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=40 height=35
 src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 is defined for each reflection, h, <i>via</i> polar and azimuthal coordinates (<span
@@ -4332 +4056 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:33pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image010.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=33 height=26
-src="gsasII-phase_files/image011.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:33pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image009.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=44 height=35
+src="gsasII-phase_files/image010.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 is defined according to polar and azimuthal coordinates (<span
 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>)
@@ -4406 +4130 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:321pt;height:42pt'>
- <v:imagedata src="gsasII-phase_files/image012.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=321 height=42
-src="gsasII-phase_files/image013.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:320.95pt;height:42pt'>
+ <v:imagedata src="gsasII-phase_files/image011.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=428 height=56
+src="gsasII-phase_files/image012.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
 Note that this version of the general axis equation differs from that shown in
-Von <span class=SpellE>Dreele</span> (1997) in that the assignment of m and n
-are reversed. </p>
+Von Dreele (1997) in that the assignment of m and n are reversed. </p>
 
 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4427 +4150 @@
 to the diffraction plane and J is coincident with the direction of the incident
 radiation beam toward the source. We further define a standard set of
-right-handed <span class=SpellE>eulerian</span> goniometer angles (<span
-style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,
-<span style='font-family:Symbol'>F</span>) so that <span style='font-family:
-Symbol'>W</span> and <span style='font-family:Symbol'>F</span> are rotations
-about K and <span style='font-family:Symbol'>C</span> is a rotation about J
-when <span style='font-family:Symbol'>W</span> <span style='font-family:Symbol'><span
-style='mso-spacerun:yes'> </span></span>= 0.<span style='mso-spacerun:yes'> 
-</span>Finally, as the sample may be mounted so that the sample coordinate
-system (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>) does not coincide with the
-instrument coordinate system (I, J, K), we define three <span class=SpellE>eulerian</span>
-sample rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>,
+right-handed eulerian goniometer angles (<span style='font-family:Symbol'>W</span>,
+<span style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F</span>)
+so that <span style='font-family:Symbol'>W</span> and <span style='font-family:
+Symbol'>F</span> are rotations about K and <span style='font-family:Symbol'>C</span>
+is a rotation about J when <span style='font-family:Symbol'>W</span> <span
+style='font-family:Symbol'><span style='mso-spacerun:yes'> </span></span>=
+0.<span style='mso-spacerun:yes'>  </span>Finally, as the sample may be mounted
+so that the sample coordinate system (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>)
+does not coincide with the instrument coordinate system (I, J, K), we define
+three eulerian sample rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>,
 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
 Symbol'>F</span><sub>s</sub>) that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>,
-K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample
-rotation angles are defined so that with the goniometer angles at zero <span
+K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'>  </span>The sample rotation
+angles are defined so that with the goniometer angles at zero <span
 style='font-family:Symbol'>W</span><sub>s</sub> and <span style='font-family:
 Symbol'>F</span><sub>s</sub> are rotations about K and <span style='font-family:
@@ -4486 +4208 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:34pt;height:50pt'>
- <v:imagedata src="gsasII-phase_files/image014.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=34 height=50
-src="gsasII-phase_files/image015.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:33.75pt;height:50.25pt'>
+ <v:imagedata src="gsasII-phase_files/image013.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=45 height=67
+src="gsasII-phase_files/image014.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and<span style='mso-spacerun:yes'>   </span><i>tan</i>(<span
 style='font-family:Symbol'>g</span>) = <!--[if gte msEquation 12]><m:oMath><m:f><m:fPr><m:type
@@ -4521 +4243 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:80pt;height:50pt'>
- <v:imagedata src="gsasII-phase_files/image016.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=80 height=50
-src="gsasII-phase_files/image017.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:80.25pt;height:50.25pt'>
+ <v:imagedata src="gsasII-phase_files/image015.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=107 height=67
+src="gsasII-phase_files/image016.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4540 +4262 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image018.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=45 height=26
-src="gsasII-phase_files/image019.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=61 height=35
+src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4556 +4278 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:44pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image020.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=44 height=26
-src="gsasII-phase_files/image021.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:43.5pt;height:26.25pt'>
+ <v:imagedata src="gsasII-phase_files/image019.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=58 height=35
+src="gsasII-phase_files/image020.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 are developed from (those for <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4572 +4294 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image022.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=45 height=26
-src="gsasII-phase_files/image019.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=61 height=35
+src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>are similar)</p>
 
@@ -4626 +4348 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:158pt;height:42pt'>
- <v:imagedata src="gsasII-phase_files/image023.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=158 height=42
-src="gsasII-phase_files/image024.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:158.4pt;height:42pt'>
+ <v:imagedata src="gsasII-phase_files/image021.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=211 height=56
+src="gsasII-phase_files/image022.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4648 +4370 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:31pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image025.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=31 height=26
-src="gsasII-phase_files/image026.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:30.8pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image023.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=41 height=35
+src="gsasII-phase_files/image024.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 are defined via a Fourier expansion as</p>
 
@@ -4698 +4420 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:150pt;height:52pt'>
- <v:imagedata src="gsasII-phase_files/image027.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=150 height=52
-src="gsasII-phase_files/image028.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:149.2pt;height:52.4pt'>
+ <v:imagedata src="gsasII-phase_files/image025.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=199 height=70
+src="gsasII-phase_files/image026.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4751 +4473 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:154pt;height:52pt'>
- <v:imagedata src="gsasII-phase_files/image029.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=154 height=52
-src="gsasII-phase_files/image030.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:153.6pt;height:52.4pt'>
+ <v:imagedata src="gsasII-phase_files/image027.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=205 height=70
+src="gsasII-phase_files/image028.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4772 +4494 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:22pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image031.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=22 height=26
-src="gsasII-phase_files/image032.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image029.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=29 height=35
+src="gsasII-phase_files/image030.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
 style='mso-spacerun:yes'>  </span>These Fourier coefficients are determined so
 that the definition </p>
@@ -4897 +4619 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:409pt;height:55pt'>
- <v:imagedata src="gsasII-phase_files/image033.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=409 height=55
-src="gsasII-phase_files/image034.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:408.8pt;height:55.6pt'>
+ <v:imagedata src="gsasII-phase_files/image031.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=545 height=74
+src="gsasII-phase_files/image032.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4933 +4655 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:102pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image035.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=102 height=26
-src="gsasII-phase_files/image036.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:102pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image033.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=136 height=35
+src="gsasII-phase_files/image034.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:func><m:funcPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4966 +4688 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:95pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image037.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=95 height=26
-src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:94.4pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image035.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=126 height=35
+src="gsasII-phase_files/image036.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>are combined depending on the symmetry and the
 value of n (or m) along with appropriate normalization coefficients to give the
@@ -4985 +4707 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:46pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image039.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=46 height=26
-src="gsasII-phase_files/image040.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=61 height=35
+src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -5002 +4724 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:47pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image041.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=47 height=26
-src="gsasII-phase_files/image042.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:47.2pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image039.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=63 height=35
+src="gsasII-phase_files/image040.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
 style='mso-spacerun:yes'>  </span>For cubic crystal symmetry, the term <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -5019 +4741 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:46pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image043.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=46 height=26
-src="gsasII-phase_files/image040.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:45.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=61 height=35
+src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>is obtained directly from the Fourier
 expansion</p>
@@ -5078 +4800 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
  id="_x0000_i1025" type="#_x0000_t75" style='width:186pt;height:54pt'>
- <v:imagedata src="gsasII-phase_files/image044.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=186 height=54
-src="gsasII-phase_files/image045.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+ <v:imagedata src="gsasII-phase_files/image041.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=248 height=72
+src="gsasII-phase_files/image042.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -5095 +4817 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
-top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:18pt;height:29pt'>
- <v:imagedata src="gsasII-phase_files/image046.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=18 height=29
-src="gsasII-phase_files/image047.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+top:4.0pt;mso-text-raise:-4.0pt;mso-ansi-language:EN-US;mso-fareast-language:
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:18.8pt;height:29.2pt'>
+ <v:imagedata src="gsasII-phase_files/image043.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=25 height=39
+src="gsasII-phase_files/image044.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 as tabulated by Bunge (1982). </p>
 
@@ -5116 +4838 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:22pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image048.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=22 height=26
-src="gsasII-phase_files/image049.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=29 height=35
+src="gsasII-phase_files/image046.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 and the three sample orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>,
 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
@@ -5135 +4857 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
-EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:22pt;height:26pt'>
- <v:imagedata src="gsasII-phase_files/image050.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=22 height=26
-src="gsasII-phase_files/image049.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
+ type="#_x0000_t75" style='width:21.6pt;height:26.4pt'>
+ <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=29 height=35
+src="gsasII-phase_files/image046.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and the sample orientation angles <span
 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>,
@@ -5191 +4913 @@
 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
-mso-fareast-language:EN-US;mso-bidi-language:HE'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:181pt;height:54pt'>
- <v:imagedata src="gsasII-phase_files/image051.emz" o:title="" chromakey="white"/>
-</v:shape><![endif]--><![if !vml]><img width=181 height=54
-src="gsasII-phase_files/image052.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
+ id="_x0000_i1025" type="#_x0000_t75" style='width:180.8pt;height:54pt'>
+ <v:imagedata src="gsasII-phase_files/image047.png" o:title="" chromakey="white"/>
+</v:shape><![endif]--><![if !vml]><img width=241 height=72
+src="gsasII-phase_files/image048.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -5230 +4952 @@
 incident and diffracted beams at equal angles (theta) on opposite sides of the
 sample. The sample is frequently spun about its normal to improve powder
-statistics and impose cylindrical symmetry on any preferred orientation
-(texture). Thus, the diffraction plane (source, diffraction vector &amp;
-detector) contains the K-vector which is parallel to the diffraction vector and
-<a name="_Hlk74813217"><span style='font-family:Symbol'>W</span>, </a><span
+statistics and impose cylindrical symmetry on any preferred orientation (texture).
+Thus, the diffraction plane (source, diffraction vector &amp; detector)
+contains the K-vector which is parallel to the diffraction vector and <a
+name="_Hlk74813217"><span style='font-family:Symbol'>W</span>, </a><span
 style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>C</span>, </span><span
 style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>F = 0.</span></span><span
@@ -5254 +4976 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
-area detector is presumed to be directly behind the sample with the incident
-beam somewhere near the center of the detector. The detector axes are defined
-(for a synchrotron) with the X-axis toward the synchrotron ring and the Y-axis
+area detector is presumed to be directly behind the sample with the incident beam
+somewhere near the center of the detector. The detector axes are defined (for a
+synchrotron) with the X-axis toward the synchrotron ring and the Y-axis
 vertical “up”; one views the detector image as if looking from the x-ray
 source. The sample is assumed to be a capillary (which may be spun to impose
@@ -5307 +5029 @@
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
-style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>as an &quot;Axial pole distribution&quot; which simulates
-the intensity of a reflection during a phi scan.<o:p></o:p></span></p>
+style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
+an &quot;Axial pole distribution&quot; which simulates the intensity of a
+reflection during a phi scan.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5316 +5038 @@
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
-style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>as a &quot;pole figure,&quot; where a projection of the
-probability of finding a pole (<span class=SpellE>hkl</span>) is plotted as a
-function of sample orientation.<o:p></o:p></span></p>
+style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
+a &quot;pole figure,&quot; where a projection of the probability of finding a
+pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
+orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5326 +5048 @@
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
-style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>as <span class=GramE>a</span> &quot;inverse pole
-figure,&quot; where a projection of the probability of finding all poles (<span
-class=SpellE>hkls</span>) is plotted for a selected sample orientation.<o:p></o:p></span></p>
+style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
+<span class=GramE>a</span> &quot;inverse pole figure,&quot; where a projection
+of the probability of finding all poles (<span class=SpellE>hkls</span>) is
+plotted for a selected sample orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5336 +5058 @@
 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol;
 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span
-style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family:
-"Times New Roman"'>or as a &quot;3D pole distribution&quot; that shows the
-probability of finding a pole (<span class=SpellE>hkl</span>) is plotted as a
-function of sample orientation. <o:p></o:p></span></p>
+style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>or
+as a &quot;3D pole distribution&quot; that shows the probability of finding a
+pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
+orientation. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5383 +5105 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l13 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Peak Selection from table</b>:
-select individual atoms by a left click of the mouse when pointed at the left
-most column (atom numbers) of the atom display; hold down the Ctrl key to add
-to your selection; a previously selected atom will be deselected; hold down
-Shift key to select from last in list selected to current selection. A selected
-atom will be highlighted (in grey) and the atoms will be shown in green on the
-plot. Selection without the Ctrl key will clear previous selections. A left
-click in the (empty) upper left box will select or deselect all atoms.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Peak Selection from table</b>: select
+individual atoms by a left click of the mouse when pointed at the left most
+column (atom numbers) of the atom display; hold down the Ctrl key to add to
+your selection; a previously selected atom will be deselected; hold down Shift
+key to select from last in list selected to current selection. A selected atom
+will be highlighted (in grey) and the atoms will be shown in green on the plot.
+Selection without the Ctrl key will clear previous selections. A left click in
+the (empty) upper left box will select or deselect all atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
+auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name=Phase-Pawley><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>Select the <b
-style='mso-bidi-font-weight:normal'>mag</b> column – the entries will be sorted
-with the largest at the top.</a></p>
+"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Select the <b style='mso-bidi-font-weight:normal'>mag</b>
+column – the entries will be sorted with the largest at the top.</a></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
+auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name=Pawley><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman"'><span
-style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>Select the </a><span
-class=SpellE><span style='mso-bookmark:Pawley'><b style='mso-bidi-font-weight:
-normal'>dzero</b></span></span><span style='mso-bookmark:Pawley'> column – the
-entries will be sorted with the smallest (distance from origin) at the top.</span></p>
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Select the </a><span class=SpellE><span
+style='mso-bookmark:Pawley'><b style='mso-bidi-font-weight:normal'>dzero</b></span></span><span
+style='mso-bookmark:Pawley'> column – the entries will be sorted with the
+smallest (distance from origin) at the top.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>Select the <span
-class=SpellE><b>dcent</b></span> column – the entries will be sorted with the
-smallest distance from the unit cell center at the top.</span></p>
+"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Select the <span class=SpellE><b>dcent</b></span>
+column – the entries will be sorted with the smallest distance from the unit
+cell center at the top.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l10 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>Menu <b style='mso-bidi-font-weight:
-normal'>‘Map peaks<span class=GramE>’ <span style='font-weight:normal'><span
+"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Menu <b style='mso-bidi-font-weight:normal'>‘Map
+peaks<span class=GramE>’ <span style='font-weight:normal'><span
 style='mso-spacerun:yes'> </span>–</span></span></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Move peaks</b> – this copies selected peaks to the </span><a
-href="#Phase-Atoms"><span style='mso-bookmark:Pawley'>Atoms</span><span
-style='mso-bookmark:Pawley'></span></a><span style='mso-bookmark:Pawley'> list
-and the </span><a href="#_Draw_Atoms"><span style='mso-bookmark:Pawley'>Draw
-Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
+"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Move
+peaks</b> – this copies selected peaks to the </span><a href="#Phase-Atoms"><span
+style='mso-bookmark:Pawley'>Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
+style='mso-bookmark:Pawley'> list and the </span><a href="#_Draw_Atoms"><span
+style='mso-bookmark:Pawley'>Draw Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
 style='mso-bookmark:Pawley'> list. They will be appended to the end of each
 list each with the name ‘UNK’ and the atom type as ‘H’. They will also be drawn
@@ -5447 +5167 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span class=GramE><b
-style='mso-bidi-font-weight:normal'>View point</b></span><b style='mso-bidi-font-weight:
-normal'> </b>– this positions the view point (large 3D RGB cross) at the 1<sup>st</sup>
-selected peak.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
+normal'>View point</b></span><b style='mso-bidi-font-weight:normal'> </b>– this
+positions the view point (large 3D RGB cross) at the 1<sup>st</sup> selected
+peak.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>View pt</b>. <b style='mso-bidi-font-weight:normal'>dist</b>. – this
-calculates distance from <span class=GramE>view point</span> to all selected
-map peaks.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View pt</b>.
+<b style='mso-bidi-font-weight:normal'>dist</b>. – this calculates distance
+from <span class=GramE>view point</span> to all selected map peaks.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Hide/Show bonds </b>– toggle display of lines (bonds) between peaks</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Hide/Show
+bonds </b>– toggle display of lines (bonds) between peaks</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Calc <span class=SpellE>dist</span>/ang </b>– if 2 peaks are selected,
-this calculates the distance between them. If 3 peaks are selected this
-calculates the angle between them; NB: selection order matters. If selection is
-not 2 or 3 peaks this is ignored. Output is on the console window.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Calc <span
+class=SpellE>dist</span>/ang </b>– if 2 peaks are selected, this calculates the
+distance between them. If 3 peaks are selected this calculates the angle
+between them; NB: selection order matters. If selection is not 2 or 3 peaks
+this is ignored. Output is on the console window.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Equivalent peaks </b>– this selects all peaks related to selection by
-space group symmetry.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Equivalent
+peaks </b>– this selects all peaks related to selection by space group
+symmetry.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Invert peak positions </b>– inversion through cell center of map and
-all positions.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Invert
+peak positions </b>– inversion through cell center of map and all positions.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>h.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Roll charge flip map </b>– popup allows shifting of the map &amp; all
-peak positions by unit cell fractions; can be along combinations of axes.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>h.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Roll
+charge flip map </b>– popup allows shifting of the map &amp; all peak positions
+by unit cell fractions; can be along combinations of axes.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>i.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Unique peaks </b>– this selects only the unique peak positions amongst
-those selected; a popup allows selection of atom subset closest to x=0, y=0,
-z=0 origin or center.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>i.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Unique
+peaks </b>– this selects only the unique peak positions amongst those selected;
+a popup allows selection of atom subset closest to x=0, y=0, z=0 origin or
+center.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>j.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Save peaks </b>– saves the peak list as a csv file.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+"Times New Roman"'><span style='mso-list:Ignore'>j.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Save
+peaks </b>– saves the peak list as a csv file.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>k.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Delete peaks </b>– this deletes selected peaks. The shading on the
-remaining peaks is changed to reflect any change in the maximum after deletion.</span></p>
+"Times New Roman"'><span style='mso-list:Ignore'>k.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
+peaks </b>– this deletes selected peaks. The shading on the remaining peaks is changed
+to reflect any change in the maximum after deletion.</span></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l13 level2 lfo16;tab-stops:list 1.0in'><span
+text-indent:-.25in;mso-list:l10 level2 lfo16;tab-stops:list 1.0in'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>l.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Clear peaks </b>– this deletes all the peaks in the map peak list; they
-are also removed from the crystal structure drawing plot.</span></p>
+"Times New Roman"'><span style='mso-list:Ignore'>l.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Clear
+peaks </b>– this deletes all the peaks in the map peak list; they are also
+removed from the crystal structure drawing plot.</span></p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -5552 +5270 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l6 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>Menu <b style='mso-bidi-font-weight:
-normal'>‘Operations’</b> –</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>Menu <b style='mso-bidi-font-weight:normal'>‘Operations’</b>
+–</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Pawley settings </b>– allows setting of Pawley parameters as shown on
-the </span><a href="#_General_Phase_Parameters"><span style='mso-bookmark:Pawley'>General</span><span
+"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
+settings </b>– allows setting of Pawley parameters as shown on the </span><a
+href="#_General_Phase_Parameters"><span style='mso-bookmark:Pawley'>General</span><span
 style='mso-bookmark:Pawley'></span></a><span style='mso-bookmark:Pawley'> tab.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Pawley create</b> – this creates a new set of Pawley reflections, over
-writing any preexisting Pawley set. They are generated with d-spacings larger
-than the limit set as ‘Pawley <span class=SpellE>dmin</span>’ in the General
-tab for this phase. By <span class=GramE>default</span> the refine flags are
-not set and the <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>) =
-100.0.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
+create</b> – this creates a new set of Pawley reflections, over writing any
+preexisting Pawley set. They are generated with d-spacings larger than the
+limit set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab for
+this phase. By <span class=GramE>default</span> the refine flags are not set
+and the <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>) = 100.0.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Pawley estimate</b> – this attempts an estimate of <span class=SpellE>Fsq</span>(<span
+"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
+estimate</b> – this attempts an estimate of <span class=SpellE>Fsq</span>(<span
 class=SpellE>hkl</span>) from the peak heights of the reflection as seen in the
 1<sup>st</sup> powder pattern of those selected in the </span><a href="#_Data"><span
@@ -5591 +5308 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Pawley update </b>– process Pawley reflection set for negative
-intensities. These are set to ½ its absolute value for <span class=SpellE>noncentrosymmetric</span>
+"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
+update </b>– process Pawley reflection set for negative intensities. These are
+set to ½ its absolute value for <span class=SpellE>noncentrosymmetric</span>
 space groups (0.3 otherwise); the refine flag is turned off. One should repeat
 Pawley refinement and then do </span><span style='mso-bookmark:Pawley'><b><span
@@ -5610 +5327 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Refine all </b>– sets all refine flags</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Refine
+all </b>– sets all refine flags</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Refine none </b>– clears all refine flags</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l10 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Refine
+none </b>– clears all refine flags</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo20;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><b style='mso-bidi-font-weight:
-normal'>Toggle selection </b>– toggles all refine flags</span></p>
+"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Toggle
+selection </b>– toggles all refine flags</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span>You can change the refine
-flags either by clicking on the box or by selecting one and then selecting the
-column (a single click on the column heading). Then type ‘y’ to set the refine
-flags or ‘n’ to clear the flags. You should not refine those reflections that
-fall below the lower limit or above the upper limit of the powder pattern
-otherwise you may have a singular matrix error in your Pawley refinement.</span></p>
+"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]>You can change the refine flags either by clicking
+on the box or by selecting one and then selecting the column (a single click on
+the column heading). Then type ‘y’ to set the refine flags or ‘n’ to clear the
+flags. You should not refine those reflections that fall below the lower limit
+or above the upper limit of the powder pattern otherwise you may have a
+singular matrix error in your Pawley refinement.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l6 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span>You can delete an individual reflection from the Pawley set by
-selecting its row (will be highlighted) and then pressing the Delete key (this
-is not reversable &amp; only <span class=GramE>deletes</span> the 1<sup>st</sup>
-one selected).</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
+can delete an individual reflection from the Pawley set by selecting its row
+(will be highlighted) and then pressing the Delete key (this is not reversable
+&amp; only <span class=GramE>deletes</span> the 1<sup>st</sup> one selected).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l6 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+text-indent:-.25in;mso-list:l3 level1 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span>You can change the individual <span class=SpellE>Fsq</span>(<span
-class=SpellE>hkl</span>) values by selecting it, typing in the new value and
-then pressing enter or selecting somewhere else in the table.</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
+can change the individual <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>)
+values by selecting it, typing in the new value and then pressing enter or
+selecting somewhere else in the table.</p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -5667 +5383 @@
 Faults-I</a> tutorial. The computations are done by a modified version of <span
 class=SpellE>DIFFaX</span> <span class=GramE>by<span style='mso-spacerun:yes'> 
-</span>M.M.J.</span> Treacy, J.M. <span class=SpellE>Newsam</span> and M.W.
-Deem, Proc. Roy. Soc. <span class=SpellE>Lond</span>. 433A, 499-520 (1991)</p>
+</span>M.M.J.</span> Treacy, J.M. Newsam and M.W. Deem, Proc. Roy. Soc. <span
+class=SpellE>Lond</span>. 433A, 499-520 (1991)</p>
 
 <h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>What
@@ -5674 +5390 @@
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 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; </span></span></span><![endif]><span
-dir=LTR></span>Menu <b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+<b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Load from <span
-class=SpellE>DIFFaX</span> file – </b><span style='mso-bidi-font-weight:bold'>load
-parameters from a <span class=SpellE>DIFFaX</span> input file</span></p>
+style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Load from <span class=SpellE>DIFFaX</span>
+file – </b><span style='mso-bidi-font-weight:bold'>load parameters from a <span
+class=SpellE>DIFFaX</span> input file</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
-style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Copy phase cell – </b><span
-style='mso-bidi-font-weight:bold'>copy the lattice parameters from a selected phase
-(usually transformed from average unit cell)</span></p>
+style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Copy phase cell – </b><span
+style='mso-bidi-font-weight:bold'>copy the lattice parameters from a selected
+phase (usually transformed from average unit cell)</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Simulate pattern – </b><span
+style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Simulate pattern – </b><span
 style='mso-bidi-font-weight:bold'>run <span class=SpellE>DIFFaX</span> to
 simulate selected pattern<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Fit pattern – </b><span
-style='mso-bidi-font-weight:bold'>refine stacking <span class=SpellE>fult</span>
-parameters to fit observed pattern (not available yet)<o:p></o:p></span></p>
+style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Fit pattern – </b><span style='mso-bidi-font-weight:
+bold'>refine stacking <span class=SpellE>fult</span> parameters to fit observed
+pattern (not available yet)<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level2 lfo22;tab-stops:45.8pt 91.6pt list 99.8pt left 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span
-dir=LTR></span><b style='mso-bidi-font-weight:normal'>Sequence simulations</b><span
+style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Sequence simulations</b><span
 style='mso-bidi-font-weight:bold'> – do a sequence of simulations incrementing
 a selected stacking fault parameter<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Show a plot of the 2D diffraction pattern for the stacking model – look
-for streaks.<o:p></o:p></span></p>
+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-bidi-font-weight:bold'>Show a
+plot of the 2D diffraction pattern for the stacking model – look for streaks.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Select Laue symmetry<o:p></o:p></span></p>
+style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Select
+Laue symmetry<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Reference unit cell – filled by Copy phase cell and is the stacking fault
-block dimensions (NB: refine inactive)<o:p></o:p></span></p>
+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-bidi-font-weight:bold'>Reference
+unit cell – filled by Copy phase cell and is the stacking fault block
+dimensions (NB: refine inactive)<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Layer width (a &amp; b) – outer dimensions of crystallite; used for
-broadening calculations (NB: refine inactive)<o:p></o:p></span></p>
+style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Layer
+width (a &amp; b) – outer dimensions of crystallite; used for broadening
+calculations (NB: refine inactive)<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Next are descriptions of the layers to be used in the calculations. They
-can be created atom-by-atom or imported from another GSAS-II <span
-class=SpellE>gpx</span> file. If a layer is already present, then the new layer
-can be the same; give it a different name.<o:p></o:p></span></p>
+style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Next are
+descriptions of the layers to be used in the calculations. They can be created
+atom-by-atom or imported from another GSAS-II <span class=SpellE>gpx</span>
+file. If a layer is already present, then the new layer can be the same; give
+it a different name.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>The layers stack according to probability rules – these are presented in
-tables in the next section<o:p></o:p></span></p>
+style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>The
+layers stack according to probability rules – these are presented in tables in
+the next section<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>You can specify specific layering sequences as a sequence of layer
-numbers (begins with 1).<o:p></o:p></span></p>
+style='mso-list:Ignore'>8.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>You can
+specify specific layering sequences as a sequence of layer numbers (begins with
+1).<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+auto;text-indent:-.25in;mso-list:l6 level1 lfo22;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'><span
-style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span dir=LTR></span><span style='mso-bidi-font-weight:
-bold'>Finally, you can set the type of sequence and the number of layers to use
-in the simulation<o:p></o:p></span></p>
+style='mso-list:Ignore'>9.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+</span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Finally,
+you can set the type of sequence and the number of layers to use in the
+simulation<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:63.8pt;mso-add-space:auto;
@@ -5802 +5517 @@
 can I do here?</h5>
 
+<h5 style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></h5>
+
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
 name="Phase-MC/SA">MC/SA</a></h4>
@@ -5812 +5529 @@
 mso-no-proof:yes'>
 
-<hr size=4 width="100%" align=center>
+<hr size=3 width="100%" align=center>
 
 </span></div>
@@ -5819 +5536 @@
 style='mso-fareast-font-family:"Times New Roman";mso-no-proof:yes'>
 
-<hr size=4 width="100%" align=center>
+<hr size=3 width="100%" align=center>
 
 </span></div>