Changeset 611

Timestamp:

May 11, 2012 10:31:06 AM (11 years ago)

Author:

vondreele

Message:

 

Location:

trunk/help

Files:

• Combined refinement.htm (added)
• Combined refinement_files (added)
• Combined refinement_files/colorschememapping.xml (added)
• Combined refinement_files/filelist.xml (added)
• Combined refinement_files/image001.png (added)
• Combined refinement_files/image002.png (added)
• Combined refinement_files/image003.png (added)
• Combined refinement_files/image004.png (added)
• Combined refinement_files/image005.png (added)
• Combined refinement_files/image006.png (added)
• Combined refinement_files/image007.png (added)
• Combined refinement_files/image008.png (added)
• Combined refinement_files/image009.png (added)
• Combined refinement_files/image010.png (added)
• Combined refinement_files/image011.png (added)
• Combined refinement_files/image012.png (added)
• Combined refinement_files/image013.png (added)
• Combined refinement_files/image014.png (added)
• Combined refinement_files/image015.jpg (added)
• Combined refinement_files/image016.png (added)
• Combined refinement_files/image017.jpg (added)
• Combined refinement_files/themedata.thmx (added)
• Laboratory X.htm (modified) (85 diffs)
• Laboratory X_files/filelist.xml (modified) (1 diff)
• Laboratory X_files/image007.png (added)
• Laboratory X_files/image010.png (modified) (previous)
• Laboratory X_files/image011.png (modified) (previous)
• Laboratory X_files/image012.png (modified) (previous)
• Laboratory X_files/image013.png (added)
• Laboratory X_files/image014.png (modified) (previous)
• Laboratory X_files/image015.png (modified) (previous)
• Laboratory X_files/image016.png (modified) (previous)
• Laboratory X_files/image017.png (modified) (previous)
• Laboratory X_files/image018.jpg (added)
• Laboratory X_files/image019.png (modified) (previous)
• Laboratory X_files/image020.png (modified) (previous)
• Laboratory X_files/image021.png (added)
• Laboratory X_files/image022.jpg (added)
• Laboratory X_files/image023.png (modified) (previous)

trunk/help/Laboratory X.htm

@@ -23 +23 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>13</o:Revision>
-  <o:TotalTime>1436</o:TotalTime>
+  <o:Revision>14</o:Revision>
+  <o:TotalTime>1438</o:TotalTime>
   <o:Created>2012-05-08T16:04:00Z</o:Created>
-  <o:LastSaved>2012-05-09T16:08:00Z</o:LastSaved>
+  <o:LastSaved>2012-05-09T18:01:00Z</o:LastSaved>
   <o:Pages>9</o:Pages>
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-  <o:Characters>17817</o:Characters>
+  <o:Words>3124</o:Words>
+  <o:Characters>17808</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
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@@ -1016 +973 @@
 <div class=WordSection1>
 
-<h1><strong><span style='font-weight:normal'>Laboratory X-ray powder pattern
-Rietveld refinement<o:p></o:p></span></strong></h1>
+<h1><strong><span style='mso-bidi-font-weight:normal'>Laboratory X-ray Powder Data
+- Fluroapatite</span><o:p></o:p></strong></h1>
 
 <p class=MsoNormal>In this tutorial you will refine the structure of <span
 class=SpellE>fluoroapatite</span>, <span class=GramE>Ca<sub>5</sub>F(</span>PO<sub>4</sub>)<sub>3</sub>,
-using constant wavelength laboratory X-ray powder diffraction data. At the
-completion of the refinement you will then prepare a drawing of the <span
-class=SpellE>fluoroapatite</span> structure. The structure is hexagonal with
-four different kinds of atoms spread over seven different sites. The data was
-taken on a conventional Bragg-Brentano powder diffractometer using <span
-class=SpellE>CuK</span><sub><span style='font-family:Symbol'>a</span></sub>
-radiation.</p>
+using constant wavelength laboratory X-ray powder diffraction data. At the completion
+of the refinement you will then prepare a drawing of the <span class=SpellE>fluoroapatite</span>
+structure. The structure is hexagonal with four different kinds of atoms spread
+over seven different sites. The data was taken on a conventional Bragg-Brentano
+powder diffractometer using <span class=SpellE>CuK</span><sub><span
+style='font-family:Symbol'>a</span></sub> radiation.</p>
 
 <p class=MsoNormal>If you have not done so already, <a
@@ -1035 +991 @@
 href="Neutron%20CW%20Powder%20Data.htm">CW Neutron powder</a> exercise first
 before doing this one. Some things are covered there in more detail that we
-will not cover here.<o:p></o:p></p>
-
-<h2>Step 1: read in the data file<o:p></o:p></h2>
-
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo1'><![if !supportLists]><span
+will not cover here.</p>
+
+<h2>Step 1: read in the data file</h2>
+
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
@@ -1045 +1001 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Data/Read powder data</span></b> menu item to read the data file
-into GSAS-II. This read option is set to read any of the powder data formats (except
-neutron TOF time map files) defined for GSAS (angles in <span class=SpellE>centidegrees</span>).
-It will also read the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
-format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
-style='mso-spacerun:yes'>  </span>Change the file directory to <b
+into GSAS-II. This read option is set to read any of the powder data formats
+(except neutron TOF time map files) defined for GSAS (angles in <span
+class=SpellE>centidegrees</span>). It will also read the <span class=SpellE><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Exercises/<span class=SpellE>fluroapatite</span></span></b><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> to find the
-file; you will need to change the file type to <b style='mso-bidi-font-weight:
-normal'>All files (*.*)</b> to find the desired file.</span><o:p></o:p></p>
-
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo1'><![if !supportLists]><span
+minor-latin'>xye</span></b></span> format (angles in degrees) used by <span
+class=SpellE>Topas</span>, etc.<span style='mso-spacerun:yes'>  </span>Change
+the file directory to <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Exercises/<span
+class=SpellE>fluroapatite</span></span></b><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'> to find the file; you will need to change the file type to <b
+style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find the desired
+file.</span></p>
+
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
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@@ -1079 +1036 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
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-
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l3 level1 lfo1'><![if !supportLists]><span
+minor-latin'>Yes</span></b></span> button to proceed.</p>
+
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
@@ -1089 +1046 @@
 dialog and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.<o:p></o:p></p>
+minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
 
 <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
@@ -1095 +1052 @@
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
 tree</span></b> window will have several entries and the plot window will show
-the powder pattern<o:p></o:p></p>
+the powder pattern</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
@@ -1143 +1100 @@
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-  mso-add-space:auto;text-align:center'>TYPE<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>TYPE</p>
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@@ -1149 +1106 @@
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+  mso-add-space:auto;text-align:center'>Y</p>
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@@ -1161 +1118 @@
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@@ -1169 +1126 @@
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-  mso-add-space:auto;text-align:center'><span class=SpellE>Ca</span><o:p></o:p></p>
+  mso-add-space:auto;text-align:center'><span class=SpellE>Ca</span></p>
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@@ -1190 +1147 @@
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-  mso-add-space:auto;text-align:center'>0. .001<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0. .001</p>
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  </tr>
@@ -1227 +1184 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>P<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>P</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1234 +1191 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.397<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.397</p>
   </td>
   <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
@@ -1241 +1198 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.367<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.367</p>
   </td>
   <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
@@ -1248 +1205 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.25<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.25</p>
   </td>
  </tr>
@@ -1256 +1213 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>F<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>F</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1263 +1220 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.0<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.0</p>
   </td>
   <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
@@ -1270 +1227 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.0<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.0</p>
   </td>
   <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
@@ -1277 +1234 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.25<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.25</p>
   </td>
  </tr>
@@ -1285 +1242 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>O<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>O</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1292 +1249 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.325<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.325</p>
   </td>
   <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
@@ -1299 +1256 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.485<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.485</p>
   </td>
   <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
@@ -1306 +1263 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.25<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.25</p>
   </td>
  </tr>
@@ -1314 +1271 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>O<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>O</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1321 +1278 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.591<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.591</p>
   </td>
   <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
@@ -1328 +1285 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.469<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.469</p>
   </td>
   <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
@@ -1335 +1292 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.25<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.25</p>
   </td>
  </tr>
@@ -1343 +1300 @@
   padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>O<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>O</p>
   </td>
   <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
@@ -1350 +1307 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.340<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.340</p>
   </td>
   <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
@@ -1357 +1314 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.258<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.258</p>
   </td>
   <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
@@ -1364 +1321 @@
   mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
   <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
-  mso-add-space:auto;text-align:center'>0.07<o:p></o:p></p>
+  mso-add-space:auto;text-align:center'>0.07</p>
   </td>
  </tr>
@@ -1378 +1335 @@
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import Phase
 GSAS.EXP
-</span></b> The file selection dialog will still be set to the directory
-the data was found; click on <b style='mso-bidi-font-weight:normal'><span
+</span></b> The file selection dialog will still be set to the
+directory the data was found; click on <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b>
@@ -1432 +1389 @@
 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Show
-PWDR FAP.XRA: BANK 1</span></b> check box; the window will change again<o:p></o:p></p>
+PWDR FAP.XRA: BANK 1</span></b> check box; the window will change again</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1441 +1398 @@
 src="Laboratory%20X_files/image003.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
 
-<p class=MsoNormal>We will return to this window later when we consider the effect
-of crystallite size and mustrain broadening.</p>
+<p class=MsoNormal>We will return to this window later when we consider the
+effect of crystallite size and mustrain broadening.</p>
 
 <h2>Step 4: Adjust background parameterization</h2>
@@ -1552 +1509 @@
  a quote from the document or the summary of an interesting point. You can
  position the text box anywhere in the document. Use the Drawing Tools tab to
- change the formatting of the pull quote text box.]</w:Sdt><o:p></o:p></p>
+ change the formatting of the pull quote text box.]</w:Sdt></p>
 
 <p class=MsoNormal><!--[if gte vml 1]><v:shapetype id="_x0000_t202"
@@ -1611 +1568 @@
     <div v:shape="Text_x0020_Box_x0020_2" style='padding:3.6pt 7.2pt 3.6pt 7.2pt'
     class=shape>
-    <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
-     id="Picture_x0020_19" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:125.25pt;
-     height:145.5pt;visibility:visible;mso-wrap-style:square'>
+    <p class=MsoNormal><span style='font-size:10.0pt;font-family:"Calibri","sans-serif";
+    mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;
+    mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;
+    mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
+    mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_i1025"
+     type="#_x0000_t75" style='width:125.25pt;height:145.5pt;visibility:visible;
+     mso-wrap-style:square'>
      <v:imagedata src="Laboratory%20X_files/image006.png" o:title="" croptop="12233f"
       cropbottom="8083f" cropleft="21159f" cropright="21533f"/>
     </v:shape><![endif]--><![if !vml]><img width=167 height=194
-    src="Laboratory%20X_files/image012.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
+    src="Laboratory%20X_files/image007.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     </div>
     <![if !mso]></td>
@@ -1667 +1628 @@
 window. Do not be alarmed about how the <span class=SpellE>Rwp</span> jumps
 around on the progress bar; that is a consequence of how the <span
-class=SpellE>Levenberg</span>-Marquardt algorithm does a least squares minimization.
-The result in the end is noticeably better than before (<span class=SpellE>Rwp</span>=11.4%)</p>
+class=SpellE>Levenberg</span>-Marquardt algorithm does a least squares
+minimization. The result in the end is noticeably better than before (<span
+class=SpellE>Rwp</span>=11.4%)</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
  id="Picture_x0020_21" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
  height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image015.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image010.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image015.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
+src="Laboratory%20X_files/image010.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
 
 <h2><span class=GramE>Step 8.</span> 4<sup>th</sup> Rietveld refinement</h2>
@@ -1693 +1655 @@
  id="Picture_x0020_22" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image010.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image011.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image010.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
+src="Laboratory%20X_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
 
 <p class=MsoNormal>Double click the <b style='mso-bidi-font-weight:normal'><span
@@ -1708 +1670 @@
  id="Picture_x0020_23" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt;
  height:252pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image011.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image012.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
-src="Laboratory%20X_files/image011.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
+src="Laboratory%20X_files/image012.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
 
 <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
@@ -1717 +1679 @@
 coordinates</span></b> and <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U - thermal parameters</span></b>
-and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>OK</span></b>. The <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
-tab will show new <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U - thermal
+parameters</span></b> and press <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
+The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Atoms</span></b> tab will show new <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b>
 flags</p>
 
@@ -1731 +1693 @@
  id="Picture_x0020_24" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image016.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image013.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image016.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
+src="Laboratory%20X_files/image013.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
 
 <p class=MsoNormal>Now run the refinement; press the <b style='mso-bidi-font-weight:
@@ -1747 +1709 @@
  id="Picture_x0020_25" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
  height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image017.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image014.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image017.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
+src="Laboratory%20X_files/image014.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
 
 <p class=MsoNormal><span class=GramE>and</span> the atom parameters are</p>
@@ -1756 +1718 @@
  id="Picture_x0020_26" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image018.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image015.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300
-src="Laboratory%20X_files/image018.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
+src="Laboratory%20X_files/image015.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
 
 <p class=MsoNormal>The refinement is now essentially complete. The console
@@ -1781 +1743 @@
 Result for phase:<span style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><br>
 Reciprocal metric tensor:<br>
-<span style='mso-spacerun:yes'> </span>names :<span
-style='mso-spacerun:yes'>            </span>A11<span
-style='mso-spacerun:yes'>         </span><span
-style='mso-spacerun:yes'>   </span>A22<span
+<span style='mso-spacerun:yes'> </span>names :<span style='mso-spacerun:yes'>  
+</span><span style='mso-spacerun:yes'>         </span>A11<span
+style='mso-spacerun:yes'>            </span>A22<span
 style='mso-spacerun:yes'>            </span>A33<span
 style='mso-spacerun:yes'>            </span>A12<span
@@ -1802 +1763 @@
 New unit cell:<br>
 <span style='mso-spacerun:yes'> </span>names :<span
-style='mso-spacerun:yes'>           </span>a <span
-style='mso-spacerun:yes'>          </span>b<span
+style='mso-spacerun:yes'>           </span>a<span
+style='mso-spacerun:yes'>           </span>b<span
 style='mso-spacerun:yes'>           </span>c<span
 style='mso-spacerun:yes'>       </span>alpha<span
@@ -1818 +1779 @@
 style='mso-spacerun:yes'>  </span>:<span style='mso-spacerun:yes'>   
 </span>0.000185<span style='mso-spacerun:yes'>               
-</span>0.000041<span
-style='mso-spacerun:yes'>                                           </span>0.008<br>
+</span>0.000041<span style='mso-spacerun:yes'>                          </span><span
+style='mso-spacerun:yes'>                 </span>0.008<br>
 <br>
 Atoms:<br>
@@ -1963 +1924 @@
  id="Picture_x0020_27" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:274.5pt;
  height:260.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image019.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image016.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=366 height=347
-src="Laboratory%20X_files/image019.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+src="Laboratory%20X_files/image016.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
 
 <p class=MsoNormal>The plot will show a new tab marked <span class=SpellE><b
@@ -1975 +1936 @@
  id="Picture_x0020_1" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:413.25pt;
  height:339pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image020.png" o:title="" croptop="4503f"
+ <v:imagedata src="Laboratory%20X_files/image017.png" o:title="" croptop="4503f"
   cropbottom="26149f" cropleft="46428f" cropright="4445f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=551 height=452
-src="Laboratory%20X_files/image013.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
+src="Laboratory%20X_files/image018.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
 
 <p class=MsoNormal>Notice the slider controls in <b style='mso-bidi-font-weight:
@@ -1996 +1957 @@
  id="Picture_x0020_30" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:450pt;
  height:225pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image022.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image019.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=600 height=300
-src="Laboratory%20X_files/image022.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
+src="Laboratory%20X_files/image019.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
 
 <p class=MsoNormal>This is a copy of what is in the <b style='mso-bidi-font-weight:
@@ -2020 +1981 @@
 all the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Draw Atoms</span></b>; double click the blank in the upper left corner
-of the table. All atoms will be highlighted in dark gray. Then press <b
+minor-latin'>Draw Atoms</span></b>; double click the blank in the upper left
+corner of the table. All atoms will be highlighted in dark gray. Then press <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
@@ -2123 +2084 @@
 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P</span></b>
-atom will be drawn as a brass colored polyhedron (with too many faces to be a tetrahedron
-because a nearby <span class=SpellE>Ca</span> atom was included – this will be
-fixed in a moment).</p>
+atom will be drawn as a brass colored polyhedron (with too many faces to be a
+tetrahedron because a nearby <span class=SpellE>Ca</span> atom was included –
+this will be fixed in a moment).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2197 +2158 @@
  id="Picture_x0020_31" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:339.75pt;
  height:245.25pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image014.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image020.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=453 height=327
-src="Laboratory%20X_files/image014.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
+src="Laboratory%20X_files/image020.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
 
 <p class=MsoNormal style='margin-left:.25in'>The steps for changing a color is
@@ -2228 +2189 @@
  id="Picture_x0020_288" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:436.5pt;
  height:372pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image023.png" o:title="" croptop="5394f"
+ <v:imagedata src="Laboratory%20X_files/image021.png" o:title="" croptop="5394f"
   cropbottom="23471f" cropleft="7248f" cropright="43454f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=582 height=496
-src="Laboratory%20X_files/image024.jpg" v:shapes="Picture_x0020_288"><![endif]></span></p>
+src="Laboratory%20X_files/image022.jpg" v:shapes="Picture_x0020_288"><![endif]></span></p>
 
 <h2><span class=GramE>Step 10.</span> Calculate bond distances and angles</h2>
 
-<p class=MsoNormal>GSAS-II will compute all the distances and angles among all the
-atoms you select in the Atoms table with controls on the range of atom-atom
+<p class=MsoNormal>GSAS-II will compute all the distances and angles among all
+the atoms you select in the Atoms table with controls on the range of atom-atom
 distances to consider either globally or by atom type. </p>
 
-<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>To
@@ -2249 +2210 @@
 minor-latin'>Phases/<span class=SpellE>fap</span></span></b>.</p>
 
-<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
@@ -2259 +2220 @@
 in the same way with the Ctrl key down; all will be highlighted in dark gray.</p>
 
-<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo5'><![if !supportLists]><span
+<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
@@ -2272 +2233 @@
  id="Picture_x0020_289" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:182.25pt;
  height:193.5pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image025.png" o:title=""/>
+ <v:imagedata src="Laboratory%20X_files/image023.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=243 height=258
-src="Laboratory%20X_files/image025.png" v:shapes="Picture_x0020_289"><![endif]></span></p>
+src="Laboratory%20X_files/image023.png" v:shapes="Picture_x0020_289"><![endif]></span></p>
 
 <p class=MsoNormal style='margin-left:.25in'>Here you have individual controls
@@ -2284 +2245 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Angle search factors</span></b> may be too large for this case. Change
-both to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>0.8</span></b> and press <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
-GSAS-II will then display on the console formatted tables of individual atom
-distances and angles with <span class=SpellE>esds</span> as appropriate for the
-two <span class=SpellE>Ca</span> atoms and the P atom.</p>
+minor-latin'>Angle search factors</span></b> may be too large for this case.
+Change both to <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>0.8</span></b> and press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>OK</span></b>. GSAS-II will then display on the console formatted
+tables of individual atom distances and angles with <span class=SpellE>esds</span>
+as appropriate for the two <span class=SpellE>Ca</span> atoms and the P atom.</p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<br>
@@ -2310 +2271 @@
 </span>X ,<span style='mso-spacerun:yes'>    </span>Y ,<span
 style='mso-spacerun:yes'>    </span>Z<span
-style='mso-spacerun:yes'>               </span>( 2) <span
-style='mso-spacerun:yes'>   </span>X-Y,<span style='mso-spacerun:yes'>   
+style='mso-spacerun:yes'>               </span>( 2)<span
+style='mso-spacerun:yes'>    </span>X-Y,<span style='mso-spacerun:yes'>   
 </span>X ,1/2+Z<br>
 <span style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
@@ -2323 +2284 @@
 style='mso-spacerun:yes'>    </span>Z<span
 style='mso-spacerun:yes'>               </span>( 6)<span
-style='mso-spacerun:yes'>     </span>Y ,<span style='mso-spacerun:yes'>  
-</span>Y-X,1/2+Z<br>
+style='mso-spacerun:yes'>     </span>Y ,<span style='mso-spacerun:yes'> 
+</span><span style='mso-spacerun:yes'> </span>Y-X,1/2+Z<br>
 <br>
 <br>
@@ -2403 +2364 @@
 class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>F4<span
 style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span>O7<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
+style='mso-spacerun:yes'>          </span>O7 <span
+style='mso-spacerun:yes'>         </span><span class=SpellE>O7</span><span
 style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><br>
 <span style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
@@ -2442 +2403 @@
 style='mso-spacerun:yes'>  </span>P3<span style='mso-spacerun:yes'> 
 </span>at<span style='mso-spacerun:yes'>   </span>0.39688(20) 0.36762(19)<span
-style='mso-spacerun:yes'>        </span>0.25<br>
+style='mso-spacerun:yes'>      </span><span
+style='mso-spacerun:yes'>  </span>0.25<br>
 ********************************************************************************<br>
 <span style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
@@ -2476 +2438 @@
 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
-minor-latin'>Angle</span></b> <span class=SpellE>Ca</span> radii to 2.1 and 1.9,
-respectively, gave</p>
+minor-latin'>Angle</span></b> <span class=SpellE>Ca</span> radii to 2.1 and
+1.9, respectively, gave</p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<br>
@@ -2524 +2486 @@
 </span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span><span
 class=GramE>dist.</span><span style='mso-spacerun:yes'>        </span>O5<span
-style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
+style='mso-spacerun:yes'>      </span><span
+style='mso-spacerun:yes'>    </span><span class=SpellE>O5</span><span
 style='mso-spacerun:yes'>          </span><span class=SpellE>O5</span><span
 style='mso-spacerun:yes'>          </span>O6<span
@@ -2597 +2560 @@
 </span>2.3441(26)<span style='mso-spacerun:yes'>   </span>102.87(15)<span
 style='mso-spacerun:yes'>  </span>85.36(16)<span style='mso-spacerun:yes'>  
-</span>77.52(11)<span style='mso-spacerun:yes'>   </span>141.11(28)<br>
+</span>77.52(11)<span style='mso-spacerun:yes'>  </span><span
+style='mso-spacerun:yes'> </span>141.11(28)<br>
 <span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
 </span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
@@ -2624 +2588 @@
 style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
 </span>1.5668(3)<span style='mso-spacerun:yes'>     </span>110.3(5)<br>
-<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'> 
-</span><span style='mso-spacerun:yes'>    </span>[ 0 0 0]<span
-style='mso-spacerun:yes'>  </span>+(<span style='mso-spacerun:yes'>  
-</span>1)<span style='mso-spacerun:yes'>  </span>1.5161(26)<span
-style='mso-spacerun:yes'>   </span>110.23(29)<span style='mso-spacerun:yes'> 
-</span>108.59(29)<br>
+<span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
+</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
+style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
+</span>1.5161(26)<span style='mso-spacerun:yes'>   </span>110.23(29)<span
+style='mso-spacerun:yes'>  </span>108.59(29)<br>
 <span style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
 </span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span

trunk/help/Laboratory X_files/filelist.xml

@@ -9 +9 @@
  <o:File HRef="image005.png"/>
  <o:File HRef="image006.png"/>
- <o:File HRef="image012.png"/>
+ <o:File HRef="image007.png"/>
  <o:File HRef="image008.png"/>
  <o:File HRef="image009.png"/>
- <o:File HRef="image015.png"/>
  <o:File HRef="image010.png"/>
  <o:File HRef="image011.png"/>
+ <o:File HRef="image012.png"/>
+ <o:File HRef="image013.png"/>
+ <o:File HRef="image014.png"/>
+ <o:File HRef="image015.png"/>
  <o:File HRef="image016.png"/>
  <o:File HRef="image017.png"/>
- <o:File HRef="image018.png"/>
+ <o:File HRef="image018.jpg"/>
  <o:File HRef="image019.png"/>
  <o:File HRef="image020.png"/>
- <o:File HRef="image013.jpg"/>
- <o:File HRef="image022.png"/>
- <o:File HRef="image014.png"/>
+ <o:File HRef="image021.png"/>
+ <o:File HRef="image022.jpg"/>
  <o:File HRef="image023.png"/>
- <o:File HRef="image024.jpg"/>
- <o:File HRef="image025.png"/>
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 </xml>