Changeset 2970 for Tutorials

Timestamp:

Aug 8, 2017 3:34:08 PM (6 years ago)

Author:

vondreele

Message:

update to 2 frame version

Location:

Tutorials/LabData

Files:

• Laboratory X.htm (modified) (78 diffs)
• Laboratory X_files/filelist.xml (modified) (1 diff)
• Laboratory X_files/image001.png (modified) (previous)
• Laboratory X_files/image002.png (modified) (previous)
• Laboratory X_files/image003.png (modified) (previous)
• Laboratory X_files/image004.png (modified) (previous)
• Laboratory X_files/image007.png (modified) (previous)
• Laboratory X_files/image009.png (deleted)
• Laboratory X_files/image011.png (deleted)
• Laboratory X_files/image012.png (deleted)
• Laboratory X_files/image013.png (deleted)
• Laboratory X_files/image015.png (deleted)
• Laboratory X_files/image016.png (deleted)
• Laboratory X_files/image018.png (deleted)
• Laboratory X_files/image019.png (deleted)
• Laboratory X_files/image022.png (modified) (previous)
• Laboratory X_files/image024.png (modified) (previous)
• Laboratory X_files/image025.jpg (deleted)
• Laboratory X_files/image025.png (modified) (previous)
• Laboratory X_files/image026.png (modified) (previous)
• Laboratory X_files/image028.png (added)
• Laboratory X_files/image033.png (added)
• Laboratory X_files/image034.png (added)
• Laboratory X_files/image035.png (added)
• Laboratory X_files/image036.png (added)
• Laboratory X_files/image037.png (added)
• Laboratory X_files/image038.png (added)
• Laboratory X_files/image039.png (added)
• Laboratory X_files/image040.png (added)
• Laboratory X_files/image041.png (added)
• Laboratory X_files/image042.png (added)
• Laboratory X_files/image043.jpg (added)
• Laboratory X_files/image044.png (added)
• Laboratory X_files/image045.png (added)
• Laboratory X_files/image046.png (added)

Tutorials/LabData/Laboratory X.htm

@@ -22 +22 @@
  <o:DocumentProperties>
   <o:Author>Von Dreele</o:Author>
-  <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>21</o:Revision>
-  <o:TotalTime>1666</o:TotalTime>
+  <o:LastAuthor>vondreele</o:LastAuthor>
+  <o:Revision>23</o:Revision>
+  <o:TotalTime>1710</o:TotalTime>
   <o:Created>2012-05-08T16:04:00Z</o:Created>
-  <o:LastSaved>2016-07-28T18:40:00Z</o:LastSaved>
-  <o:Pages>1</o:Pages>
+  <o:LastSaved>2017-08-08T18:01:00Z</o:LastSaved>
+  <o:Pages>20</o:Pages>
   <o:Words>3163</o:Words>
   <o:Characters>18034</o:Characters>
@@ -44 +44 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
+  <w:View>Print</w:View>
+  <w:Zoom>156</w:Zoom>
+  <w:SpellingState>Clean</w:SpellingState>
+  <w:GrammarState>Clean</w:GrammarState>
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@@ -656 +660 @@
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@@ -666 +670 @@
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+        mso-font-signature:-536859905 -1073732485 9 0 511 0;}
 @font-face
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@@ -1075 +1079 @@
         mso-hansi-font-family:Tahoma;
         mso-bidi-font-family:Tahoma;}
+span.SpellE
+        {mso-style-name:"";
+        mso-spl-e:yes;}
+span.GramE
+        {mso-style-name:"";
+        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1262 +1272 @@
         mso-ascii-theme-font:minor-latin;
         mso-hansi-font-family:Calibri;
-        mso-hansi-theme-font:minor-latin;}
+        mso-hansi-theme-font:minor-latin;
+        mso-bidi-font-family:"Times New Roman";
+        mso-bidi-theme-font:minor-bidi;}
 table.MsoTableGrid
         {mso-style-name:"Table Grid";
@@ -1297 +1309 @@
 
 <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
-fluoroapatite, Ca<sub>5</sub>F(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 fluoroapatite 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 CuK<sub><span style='font-family:Symbol'>a</span></sub>
+Data - <span class=SpellE>Fluroapatite</span></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>
 
@@ -1322 +1335 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Import/Import Powder Data/from GSAS
-file</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 centidegrees). 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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>xye</span></b> format (angles in degrees) used
-by Topas, etc. can also be read via 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Import/Import Powder Data</span></b> menus.<span
-style='mso-spacerun:yes'>  </span>Change the file directory to <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Import/Import Powder Data/from GSAS powder data file</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>). 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. can also be
+read via 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'>Import/Import Powder Data</span></b>
+menus.<span style='mso-spacerun:yes'>  </span>Change the file directory to <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'>LabData</span></b></span><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>LabData/data</span></b><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>/data</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'>any file (*.*)</b> to find the desired
@@ -1348 +1363 @@
 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'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>FAP.XRA</span></b><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>FAP.XRA</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'> data</span> file in the first 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
-Dialog box asking <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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Is this the file you want?</span></b> 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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Yes</span></b> button to proceed.</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Open</span></b>. There will be a Dialog box asking <span
+class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+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
@@ -1368 +1384 @@
 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'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>INST_XRY.PRM</span></b> instrument
-parameter file in the second 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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>INST_XRY.PRM</span></b> instrument parameter file in the second
+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>.</p>
 
 <p class=MsoNormal>At this point 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-font-family:Calibri;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</p>
+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</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
@@ -1401 +1416 @@
  <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
  <o:lock v:ext="edit" aspectratio="t"/>
-</v:shapetype><v:shape id="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image001.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img width=700 height=600
-src="Laboratory%20X_files/image001.png" v:shapes="_x0000_i1044"><![endif]></span></p>
+</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1044" type="#_x0000_t75"
+ style='width:468pt;height:401.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image007.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img width=624 height=535
+src="Laboratory%20X_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
 
 <h2>Step 2: Create the phase</h2>
 
 <p class=MsoNormal>For this step we will take advantage of having an old GSAS
-experiment file with all the parameters for fluroapatite otherwise you’ll have
-to follow the steps used for the <a href="Neutron%20CW%20Powder%20Data.htm">CW
-neutron example on garnet</a> with the following information:</p>
-
-<p class=MsoNormal>Phase name = ‘fap’, Space group = P 63/m, unit cell a =
-9.372, c = 6.886</p>
+experiment file with all the parameters for <span class=SpellE>fluroapatite</span>
+otherwise you’ll have to follow the steps used for the <a
+href="Neutron%20CW%20Powder%20Data.htm">CW neutron example on garnet</a> with
+the following information:</p>
+
+<p class=MsoNormal>Phase name = ‘<span class=SpellE>fap</span>’, Space group =
+P 63/m, unit cell a = 9.372, c = 6.886</p>
 
 <p class=MsoNormal>Atom coordinates:</p>
@@ -1652 +1668 @@
 </table>
 
-<p class=MsoNormal>To import the fluroapatite phase information from the file
-FAP.EXP use the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Import/Import
-Phase menu</span></b> menu to see a pulldown menu. Select <b style='mso-bidi-font-weight:
+<p class=MsoNormal>To import the <span class=SpellE>fluroapatite</span> phase
+information from the file FAP.EXP use the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import/Import
+Phase </span></b>menu to see a pulldown menu. Select <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>from GSAS .EXP file. </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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>FAP.EXP</span></b> and <b
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>from
+GSAS .EXP file. </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>
+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'>Open</span></b> to open it. You will see an <span class=GramE><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b> to open it. You will
-see an <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Is this the
-file you want?</span></b> dialog; 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'>Yes</span></b> to proceed. A small dialog box
-with a phase name of ‘<b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>fap</span></b>’ will appear. We didn’t change it so press <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Is</span></b></span><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b> to accept it. Next an <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> this the
+file you want?</span></b> <span class=GramE>dialog</span>; 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'>Add
-histogram(s)</span></b> dialog will appear; select the <b style='mso-bidi-font-weight:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>
+to proceed. A small dialog box with a phase name of ‘<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'>fap</span></b></span>’ will appear. We didn’t change it so 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> to accept it. Next an <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>PWDR FAP.XRA</span></b> item and
-press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+minor-latin;mso-hansi-theme-font:minor-latin'>Add histogram(s)</span></b>
+dialog will appear; select the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>PWDR FAP.XRA</span></b> item and press <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.</p>
 
@@ -1691 +1708 @@
 <p class=MsoNormal>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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>GSAS-II data tree</span></b> should now have a <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> entry of <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>fap</span></b>. Select it.to view the
-fap phase information</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
+tree</span></b> should now have a <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase</span></b>
+entry of <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'>fap</span></b></span>;
+the <span class=SpellE>fap</span> phase information will be shown</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_6" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:487.5pt;
- height:375pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image002.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=650 height=500
-src="Laboratory%20X_files/image002.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
+ id="Picture_x0020_22" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:468pt;
+ height:300.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image022.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=401
+src="Laboratory%20X_files/image002.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
 
 <p class=MsoNormal>You can see that the number of each kind of atom gives 2
 formula units per cell. 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Data</span></b> tab will show the sample broadening information,
-etc. associated with the powder data set we just loaded.</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
+tab will show the sample broadening information, etc. associated with the
+powder data set we just loaded.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_22" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:342.75pt;
- height:375pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image003.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
-src="Laboratory%20X_files/image003.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
+ id="Picture_x0020_3" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:468pt;
+ height:300.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image028.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=401
+src="Laboratory%20X_files/image003.png" v:shapes="Picture_x0020_3"><![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>
+effect of crystallite size and <span class=SpellE>mustrain</span> broadening.</p>
 
 <h2>Step 4: Adjust background parameterization</h2>
@@ -1732 +1748 @@
 this very well so find 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Background</span></b> item under <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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>PWDR FAP.XRA: BANK1</span></b> in the <b
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Background</span></b>
+item under <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'>PWDR FAP.XRA: BANK1</span></b> in
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>GSAS-II data tree</span></b> and press it. 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and press
-it. 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Background</span></b> window will
-appear</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Background</span></b> window will appear</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_3" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:294pt;
- height:141pt;visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_21" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:246.75pt;
+ height:160.5pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image004.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=392 height=188
-src="Laboratory%20X_files/image004.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
+</v:shape><![endif]--><![if !vml]><img border=0 width=329 height=214
+src="Laboratory%20X_files/image024.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
 
 <p class=MsoNormal>Change the background function 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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>log interpolate</span></b> and the number of
-coefficients 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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>9. </span></b>This
-will put background points at the two limits and at equal spaces in log(2<span
-style='font-family:Symbol'>Q</span>) in between so there are more where the
-background is changing most rapidly. A linear interpolation is then used to
-compute the background for all points in the pattern during the Rietveld
-refinement.</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>log
+interpolate</span></b> and the number of coefficients 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'>9.
+</span></b>This will put background points at the two limits and at equal
+spaces in <span class=GramE>log(</span>2<span style='font-family:Symbol'>Q</span>)
+in between so there are more where the background is changing most rapidly. A
+linear interpolation is then used to compute the background for all points in
+the pattern during the Rietveld refinement.</p>
 
 <h2>Step 5 1<sup>st</sup> Rietveld refinement</h2>
@@ -1770 +1783 @@
 refinement; the histogram scale (found in <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Sample Parameters</span></b>) and background will be refined.
-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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> in the <b
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
+Parameters</span></b>) and background will be refined. 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu. You
-will be asked for a project file name, we used ‘f<b style='mso-bidi-font-weight:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Calculate/Refine</span></b> in the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>ap</span></b>’ and made the file <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>fap.gpx</span></b>. The refinement
-proceeds and when complete (Rwp ~45.2%) a small dialog box will appear asking <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Load new result?</span></b> 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>; the windows will be
-updated and a new plot is displayed.</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
+data tree</span></b> menu. You will be asked for a project file name, we used ‘<span
+class=SpellE>f<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'>ap</span></b></span>’ and made the
+file <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'>fap.gpx</span></b></span>.
+The refinement proceeds and when complete (<span class=SpellE>Rwp</span>
+~45.2%) a small dialog box will appear asking <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'>Load
+new result?</span></b> 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 windows will be updated and a new plot is displayed.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_24" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1040" type="#_x0000_t75" style='width:525pt;height:450pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image005.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image005.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
+src="Laboratory%20X_files/image005.png" v:shapes="_x0000_i1040"><![endif]></span></p>
 
 <p class=MsoNormal>Expanding the plot shows that much of the difference is that
 the calculated peaks are out of place. This is due to lattice parameters and
-also that in this Bragg-Brentano experiment the sample position is offset from
-the focusing circle. <b style='mso-bidi-font-weight:normal'>Important</b>: this
-is the most likely reason for peaks displacement errors in laboratory data, not
+also that in this Bragg-Brentano experiment the sample position is offset from the
+focusing circle. <b style='mso-bidi-font-weight:normal'>Important</b>: this is
+the most likely reason for peaks displacement errors in laboratory data, not
 the zero point. The lattice parameter flag is on the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>General</span></b> tab for the <b
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
+tab for the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>Phase</span></b> <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'>fap</span></b></span> and the
+sample displacement is found on the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample Parameters</span></b>
+item under <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'>PWDR FAP.XRA: BANK1 </span></b>in
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>GSAS-II data tree</span></b>. Go to both places and set those
+flags; make sure that 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'>Diffractometer type</span></b> is <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase</span></b> <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>fap</span></b> and the sample displacement is
-found on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Sample
-Parameters</span></b> item under <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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>PWDR FAP.XRA: BANK1 </span></b>in the <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. Go to both
-places and set those flags; make sure that 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'>Diffractometer type</span></b> is
-<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'>Bragg-Brentano</span></b>.</p>
 
@@ -1836 +1846 @@
 <p class=MsoNormal>Now do the Rietveld refinement by <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-The plot will be</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
+menu 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'>GSAS-II data tree</span></b> window. The plot will be</p>
 
 <p class=MsoNormal><!--[if gte vml 1]><v:shapetype id="_x0000_t202"
@@ -1910 +1918 @@
       cropbottom="8083f" cropleft="21159f" cropright="21533f"/>
     </v:shape><![endif]--><![if !vml]><img width=167 height=194
-    src="Laboratory%20X_files/image024.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
+    src="Laboratory%20X_files/image025.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
     </div>
     <![if !mso]></td>
@@ -1920 +1928 @@
 
 </span><![endif]><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_25" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1039" type="#_x0000_t75" style='width:525pt;height:450pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Laboratory%20X_files/image008.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Laboratory%20X_files/image008.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
-
-<p class=MsoNormal>noticeably improved (Rwp ~14.5%). Close inspection (see
-inset) shows that most of the differences are in the widths of the peaks so we
-should refine crystallite size and mustrain parameters next.</p>
+src="Laboratory%20X_files/image008.png" v:shapes="_x0000_i1039"><![endif]></span></p>
+
+<p class=MsoNormal><span class=GramE>noticeably</span> improved (<span
+class=SpellE>Rwp</span> ~14.5%). Close inspection (see inset) shows that most
+of the differences are in the widths of the peaks so we should refine
+crystallite size and <span class=SpellE>mustrain</span> parameters next.</p>
 
 <h2>Step 7 3<sup>rd</sup> Rietveld refinement</h2>
@@ -1934 +1943 @@
 <p class=MsoNormal>Select the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Phases/fap</span></b> item in the <b style='mso-bidi-font-weight:
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phases/<span
+class=SpellE>fap</span></span></b> item in the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and then select
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Data</span></b> tab and set the refine
-flags for both size and mustrain. The window should look like</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
+data tree</span></b> and then select the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
+tab and set the refine flags for both size and <span class=SpellE>mustrain</span>.
+The window should look like</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_26" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:342.75pt;
- height:375pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image009.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=457 height=500
-src="Laboratory%20X_files/image009.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
+ id="Picture_x0020_23" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468pt;
+ height:300.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image026.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=401
+src="Laboratory%20X_files/image033.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
 
 <p class=MsoNormal>Now do the refinement; press the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu item on the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-Do not be alarmed about how the Rwp jumps around on the progress bar; that is a
-consequence of how the Levenberg-Marquardt algorithm does a least squares
-minimization. The result in the end is noticeably better than before
-(Rwp=11.2%)</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
+menu item on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data window</span></b>. 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>=11.2%)</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_27" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
- height:450pt;visibility:visible;mso-wrap-style:square'>
+ id="_x0000_i1037" type="#_x0000_t75" style='width:525pt;height:450pt;
+ visibility:visible;mso-wrap-style:square'>
  <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/image010.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+src="Laboratory%20X_files/image010.png" v:shapes="_x0000_i1037"><![endif]></span></p>
 
 <h2>Step 8. 4<sup>th</sup> Rietveld refinement</h2>
@@ -1974 +1982 @@
 <p class=MsoNormal>Now we can refine atom parameters. Select <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap </span></b>and the <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Phases/<span class=SpellE>fap</span> </span></b>and the <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab; the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phase data for fap</span></b> window
-will display</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Atoms</span></b> tab; the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase data
+for <span class=SpellE>fap</span></span></b> window will display</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_28" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <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/image011.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
+ id="Picture_x0020_24" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;
+ height:300.75pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image034.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=401
+src="Laboratory%20X_files/image035.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
 
 <p class=MsoNormal>Double click the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>refine</span></b> column header; a new window will show <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Refinement controls</span></b></p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b>
+column header; a new window will show <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'>Refinement
+controls</span></b></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- 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/image012.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
-src="Laboratory%20X_files/image012.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
+ id="Picture_x0020_25" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:171.75pt;
+ height:150pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image036.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=229 height=200
+src="Laboratory%20X_files/image036.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
 
 <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>X - coordinates</span></b> and <b style='mso-bidi-font-weight:
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X -
+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-font-family:Calibri;
-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-font-family:
-Calibri;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-font-family:
-Calibri;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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>refine</span></b> flags</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b>
+flags</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_29" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <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/image013.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
+ id="Picture_x0020_26" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:468pt;
+ height:227.25pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image037.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=303
+src="Laboratory%20X_files/image038.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
 
 <p class=MsoNormal>Now run the refinement; press the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> menu item on the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.
-The result is a bit better (Rwp=10.4%) and the plot is pretty much the same as
-before</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
+menu item on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> <span
+class=GramE>window</span>. The result is a bit better (<span class=SpellE>Rwp</span>=10.4%)
+and the plot is pretty much the same as before</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2047 +2052 @@
 src="Laboratory%20X_files/image014.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
 
-<p class=MsoNormal>and the atom parameters are</p>
+<p class=MsoNormal><span class=GramE>and</span> the atom parameters are</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_15" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <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/image015.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
-
-<p class=MsoNormal>The refinement is now essentially complete. The file fap.lst
-has the result of the last cycle of refinement with values and esds for all the
-parameters</p>
+ id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:468pt;
+ height:174pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image039.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=232
+src="Laboratory%20X_files/image040.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
+
+<p class=MsoNormal>The refinement is now essentially complete. The file <span
+class=SpellE>fap.lst</span> has the result of the last cycle of refinement with
+values and <span class=SpellE>esds</span> for all the parameters</p>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2068 +2073 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Number of function calls: 12<span
-style='mso-spacerun:yes'>  </span>Number of observations:<span
-style='mso-spacerun:yes'>  </span>5751<span style='mso-spacerun:yes'>  </span>Number
-of parameters:<span style='mso-spacerun:yes'>  </span>34<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>Number of function calls: <span class=GramE>12<span
+style='mso-spacerun:yes'>  </span>Number</span> of observations:<span
+style='mso-spacerun:yes'>  </span>5751<span style='mso-spacerun:yes'> 
+</span>Number of parameters:<span style='mso-spacerun:yes'>  </span>34<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2081 +2086 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>wR =<span style='mso-spacerun:yes'>  
-</span>10.38%, chi**2 =<span style='mso-spacerun:yes'>      </span>19687.8,
-reduced chi**2 =<span style='mso-spacerun:yes'>   </span>3.44<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span><span class=SpellE><span class=GramE>wR</span></span>
+=<span style='mso-spacerun:yes'>   </span>10.38%, chi**2 =<span
+style='mso-spacerun:yes'>      </span>19687.8, reduced chi**2 =<span
+style='mso-spacerun:yes'>   </span>3.44<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2097 +2103 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>name<span style='mso-spacerun:yes'> 
-</span>:<span style='mso-spacerun:yes'>          </span>0::A0<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>value :<span style='mso-spacerun:yes'>        
-</span>0.0152<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>         </span>0.0000<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span><span class=GramE>name<span
+style='mso-spacerun:yes'>  </span>:</span><span
+style='mso-spacerun:yes'>          </span>0::A0<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
+style='mso-spacerun:yes'>         </span>0.0152<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>        
+</span>0.0000<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2120 +2128 @@
 font-family:"Courier New";font-weight:normal'><span
 style='mso-spacerun:yes'> </span>Result for phase:<span
-style='mso-spacerun:yes'>  </span>fap<o:p></o:p></span></h2>
+style='mso-spacerun:yes'>  </span><span class=SpellE>fap</span><o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2128 +2136 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>names :<span style='mso-spacerun:yes'>            </span>A11<span
+</span><span class=GramE>names :</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><span
-style='mso-spacerun:yes'>    </span>A12<span
+style='mso-spacerun:yes'>            </span>A12<span
 style='mso-spacerun:yes'>            </span>A13<span
 style='mso-spacerun:yes'>            </span>A23<o:p></o:p></span></h2>
@@ -2138 +2146 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>values:<span style='mso-spacerun:yes'>    </span>0.015180436<span
-style='mso-spacerun:yes'>    </span>0.015180436<span
+</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
+</span>0.015180436<span style='mso-spacerun:yes'>    </span>0.015180436<span
 style='mso-spacerun:yes'>    </span>0.021090011<span
 style='mso-spacerun:yes'>    </span>0.015180436<span
@@ -2147 +2155 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>esds<span style='mso-spacerun:yes'>  </span>:<span
+</span><span class=SpellE><span class=GramE>esds</span></span><span
+class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
 style='mso-spacerun:yes'>    </span>0.000000320<span
 style='mso-spacerun:yes'>                   </span>0.000000255<span
@@ -2158 +2167 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>names :<span style='mso-spacerun:yes'>           </span>a<span
+</span><span class=GramE>names :</span><span
+style='mso-spacerun:yes'>           </span>a<span
 style='mso-spacerun:yes'>           </span>b<span
 style='mso-spacerun:yes'>           </span>c<span
@@ -2168 +2178 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>values:<span style='mso-spacerun:yes'>    </span>9.371891<span
-style='mso-spacerun:yes'>    </span>9.371891<span style='mso-spacerun:yes'>   
-</span>6.885914<span style='mso-spacerun:yes'>     </span>90.0000<span
-style='mso-spacerun:yes'>     </span>90.0000<span style='mso-spacerun:yes'>   
-</span>120.0000<span style='mso-spacerun:yes'>     </span>523.777<o:p></o:p></span></h2>
+</span><span class=GramE>values</span>:<span style='mso-spacerun:yes'>   
+</span>9.371891<span style='mso-spacerun:yes'>    </span>9.371891<span
+style='mso-spacerun:yes'>    </span>6.885914<span style='mso-spacerun:yes'>    
+</span>90.0000<span style='mso-spacerun:yes'>     </span>90.0000<span
+style='mso-spacerun:yes'>    </span>120.0000<span style='mso-spacerun:yes'>    
+</span>523.777<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'> 
-</span>esds<span style='mso-spacerun:yes'>  </span>:<span
+</span><span class=SpellE><span class=GramE>esds</span></span><span
+class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
 style='mso-spacerun:yes'>    </span>0.000189<span
 style='mso-spacerun:yes'>                </span>0.000042<span
-style='mso-spacerun:yes'>                         </span><span
-style='mso-spacerun:yes'>                  </span>0.008<o:p></o:p></span></h2>
+style='mso-spacerun:yes'>                                          
+</span>0.008<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2191 +2203 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span style='mso-spacerun:yes'>  
-</span>name<span style='mso-spacerun:yes'>      </span>x<span
-style='mso-spacerun:yes'>         </span>y<span
+</span><span class=GramE>name</span><span style='mso-spacerun:yes'>     
+</span>x<span style='mso-spacerun:yes'>         </span>y<span
 style='mso-spacerun:yes'>         </span>z<span style='mso-spacerun:yes'>     
-</span>frac<span style='mso-spacerun:yes'>   </span>Uiso<span
-style='mso-spacerun:yes'>     </span>U11<span style='mso-spacerun:yes'>    
-</span>U22<span style='mso-spacerun:yes'>     </span>U33<span
-style='mso-spacerun:yes'>     </span>U12<span style='mso-spacerun:yes'>    
-</span>U13<span style='mso-spacerun:yes'>     </span>U23<o:p></o:p></span></h2>
+</span><span class=SpellE>frac</span><span style='mso-spacerun:yes'>   </span><span
+class=SpellE>Uiso</span><span style='mso-spacerun:yes'>     </span>U11<span
+style='mso-spacerun:yes'>     </span>U22<span style='mso-spacerun:yes'>    
+</span>U33<span style='mso-spacerun:yes'>     </span>U12<span
+style='mso-spacerun:yes'>     </span>U13<span style='mso-spacerun:yes'>    
+</span>U23<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2210 +2223 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.33333<span style='mso-spacerun:yes'>   </span>0.66667<span
-style='mso-spacerun:yes'>   </span>0.00202<span style='mso-spacerun:yes'>  
-</span>1.000 0.00840<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>                      
-</span>0.00030<span style='mso-spacerun:yes'>         </span>0.00036<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.33333<span style='mso-spacerun:yes'>  
+</span>0.66667<span style='mso-spacerun:yes'>   </span>0.00202<span
+style='mso-spacerun:yes'>   </span>1.000 0.00840<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span
+style='mso-spacerun:yes'>                       </span>0.00030<span
+style='mso-spacerun:yes'>         </span>0.00036<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2228 +2242 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.24161<span style='mso-spacerun:yes'>   </span>0.99231<span
-style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
-</span>1.000 0.00712<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>   </span>0.00016<span
-style='mso-spacerun:yes'>   </span>0.00019<span
-style='mso-spacerun:yes'>                  </span><span
-style='mso-spacerun:yes'> </span>0.00029<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.24161<span style='mso-spacerun:yes'>  
+</span>0.99231<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00712<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00016<span style='mso-spacerun:yes'>   </span>0.00019<span
+style='mso-spacerun:yes'>                   </span>0.00029<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2248 +2261 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.39715<span style='mso-spacerun:yes'>   </span>0.36781<span
-style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
-</span>1.000 0.00719<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>   </span>0.00020<span
-style='mso-spacerun:yes'>   </span>0.00019<span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.39715<span style='mso-spacerun:yes'>  
+</span>0.36781<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00719<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00020<span style='mso-spacerun:yes'>   </span>0.00019<span
 style='mso-spacerun:yes'>                   </span>0.00040<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'>     </span>F4<span style='mso-spacerun:yes'>     
-</span>F:<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
-style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
-</span>1.000 0.01746<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>                                      
-</span>0.00142<o:p></o:p></span></h2>
+style='mso-spacerun:yes'>     </span>F4 <span
+style='mso-spacerun:yes'>     </span>F:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
+</span>0.00000<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.01746<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span
+style='mso-spacerun:yes'>                                       </span>0.00142<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2285 +2298 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.32546<span style='mso-spacerun:yes'>   </span>0.48503<span
-style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
-</span>1.000 0.00814<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>   </span>0.00043<span
-style='mso-spacerun:yes'>   </span>0.00044<span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.32546<span style='mso-spacerun:yes'>  
+</span>0.48503<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.00814<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00043<span style='mso-spacerun:yes'>   </span>0.00044<span
 style='mso-spacerun:yes'>                   </span>0.00105<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'>     </span>O6<span style='mso-spacerun:yes'>     
-</span>O:<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.59033<span style='mso-spacerun:yes'>   </span>0.46939<span
-style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
-</span>1.000 0.01114<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>   </span>0.00045<span
-style='mso-spacerun:yes'>   </span>0.00048<span
+style='mso-spacerun:yes'>     </span>O6<span style='mso-spacerun:yes'>    
+</span><span style='mso-spacerun:yes'> </span>O:<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.59033<span style='mso-spacerun:yes'>  
+</span>0.46939<span style='mso-spacerun:yes'>   </span>0.25000<span
+style='mso-spacerun:yes'>   </span>1.000 0.01114<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00045<span style='mso-spacerun:yes'>   </span>0.00048<span
 style='mso-spacerun:yes'>                   </span>0.00112<o:p></o:p></span></h2>
 
@@ -2323 +2336 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
-</span>0.33975<span style='mso-spacerun:yes'>   </span>0.25900<span
-style='mso-spacerun:yes'>   </span>0.07097<span style='mso-spacerun:yes'>  
-</span>1.000 0.01096<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>   </span>0.00035<span
-style='mso-spacerun:yes'>   </span>0.00035<span style='mso-spacerun:yes'>  
-</span>0.00035<span style='mso-spacerun:yes'>         </span>0.00079<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>   </span>0.33975<span style='mso-spacerun:yes'>  
+</span>0.25900<span style='mso-spacerun:yes'>   </span>0.07097<span
+style='mso-spacerun:yes'>   </span>1.000 0.01096<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
+</span>0.00035<span style='mso-spacerun:yes'>   </span>0.00035<span
+style='mso-spacerun:yes'>   </span>0.00035<span
+style='mso-spacerun:yes'>         </span>0.00079<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2340 +2354 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'> 
-</span>fap<span style='mso-spacerun:yes'>  </span>in histogram:<span
+style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'>  </span><span
+class=SpellE><span class=GramE>fap</span></span><span class=GramE><span
+style='mso-spacerun:yes'>  </span>in</span> histogram:<span
 style='mso-spacerun:yes'>  </span>PWDR FAP.XRA Bank 1<o:p></o:p></span></h2>
 
@@ -2363 +2378 @@
 style='mso-spacerun:yes'> </span>Size model:<span style='mso-spacerun:yes'>    
 </span>isotropic equatorial:<span style='mso-spacerun:yes'>     </span>0.39088,
-sig:<span style='mso-spacerun:yes'>  </span>0.0718 LG mix coeff.:<span
+sig:<span style='mso-spacerun:yes'>  </span>0.0718 LG mix <span class=SpellE><span
+class=GramE>coeff</span></span><span class=GramE>.:</span><span
 style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
 
@@ -2371 +2387 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Mustrain model: isotropic equatorial:<span
-style='mso-spacerun:yes'>       </span>961.3, sig:<span
-style='mso-spacerun:yes'>    </span>25.8 LG mix coeff.:<span
+style='mso-spacerun:yes'> </span><span class=SpellE>Mustrain</span> model:
+isotropic equatorial:<span style='mso-spacerun:yes'>       </span>961.3,
+sig:<span style='mso-spacerun:yes'>    </span>25.8 LG mix <span class=SpellE><span
+class=GramE>coeff</span></span><span class=GramE>.:</span><span
 style='mso-spacerun:yes'>      </span>1.0000<o:p></o:p></span></h2>
 
@@ -2382 +2399 @@
 font-family:"Courier New";font-weight:normal'><span
 style='mso-spacerun:yes'> </span>Histogram:<span style='mso-spacerun:yes'> 
-</span>PWDR FAP.XRA Bank 1<span style='mso-spacerun:yes'>  </span>histogram
-Id:<span style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></h2>
+</span>PWDR FAP.XRA Bank <span class=GramE>1<span style='mso-spacerun:yes'> 
+</span>histogram</span> Id:<span style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2394 +2411 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Final refinement wR = 10.38% on 5751
-observations in this histogram<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>Other residuals: R = 8.12%, Rb = 8.36%, wRb =
-10.23% wRmin = 5.61%<o:p></o:p></span></h2>
+style='mso-spacerun:yes'> </span>Final refinement <span class=SpellE>wR</span>
+= 10.38% on 5751 observations in this histogram<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span>Other residuals: R = 8.12%, <span
+class=SpellE>Rb</span> = 8.36%, <span class=SpellE>wRb</span> = 10.23% <span
+class=SpellE>wRmin</span> = 5.61%<o:p></o:p></span></h2>
 
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
@@ -2416 +2434 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>names :<span style='mso-spacerun:yes'>        
-</span>Scale<span style='mso-spacerun:yes'>         </span>Shift<span
-style='mso-spacerun:yes'>  </span>Transparency<span
-style='mso-spacerun:yes'>    </span>SurfRoughA<span
-style='mso-spacerun:yes'>    </span>SurfRoughB<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>      
-</span>42.2873<span style='mso-spacerun:yes'>       </span>83.9821<span
+style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
+style='mso-spacerun:yes'>         </span>Scale<span
+style='mso-spacerun:yes'>         </span>Shift<span style='mso-spacerun:yes'> 
+</span>Transparency<span style='mso-spacerun:yes'>    </span><span
+class=SpellE>SurfRoughA</span><span style='mso-spacerun:yes'>    </span><span
+class=SpellE>SurfRoughB</span><o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>values</span>:<span
+style='mso-spacerun:yes'>       </span>42.2873<span
+style='mso-spacerun:yes'>       </span>83.9821<span
 style='mso-spacerun:yes'>        </span>0.0000<span
-style='mso-spacerun:yes'>        </span>0.0000<span style='mso-spacerun:yes'>  
-</span><span style='mso-spacerun:yes'>     </span>0.0000<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>        </span>0.1442<span
-style='mso-spacerun:yes'>        </span>0.3609<span
+style='mso-spacerun:yes'>        </span>0.0000<span
+style='mso-spacerun:yes'>        </span>0.0000<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>       
+</span>0.1442<span style='mso-spacerun:yes'>        </span>0.3609<span
 style='mso-spacerun:yes'>                                          </span><o:p></o:p></span></h2>
 
@@ -2447 +2467 @@
 <h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
 font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>value :<span style='mso-spacerun:yes'>     
-</span>623.5<span style='mso-spacerun:yes'>     </span>405.2<span
-style='mso-spacerun:yes'>     </span>262.1<span style='mso-spacerun:yes'>      
-</span>154<span style='mso-spacerun:yes'>     </span>104.5<span
-style='mso-spacerun:yes'>     </span>71.38<span style='mso-spacerun:yes'>    
-</span>50.48<span style='mso-spacerun:yes'>     </span>49.97<span
-style='mso-spacerun:yes'>     </span>59.71<o:p></o:p></span></h2>
-
-<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
-font-family:"Courier New";font-weight:normal'><span
-style='mso-spacerun:yes'> </span>sig<span style='mso-spacerun:yes'>  
-</span>:<span style='mso-spacerun:yes'>       </span>5.36<span
-style='mso-spacerun:yes'>     </span>3.124<span style='mso-spacerun:yes'>    
-</span>2.364<span style='mso-spacerun:yes'>     </span>1.785<span
+style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
+style='mso-spacerun:yes'>      </span>623.5<span style='mso-spacerun:yes'>    
+</span>405.2<span style='mso-spacerun:yes'>     </span>262.1<span
+style='mso-spacerun:yes'>       </span>154<span style='mso-spacerun:yes'>    
+</span>104.5<span style='mso-spacerun:yes'>     </span>71.38<span
+style='mso-spacerun:yes'>     </span>50.48<span style='mso-spacerun:yes'>    
+</span>49.97<span style='mso-spacerun:yes'>     </span>59.71<o:p></o:p></span></h2>
+
+<h2 style='margin:0in;margin-bottom:.0001pt'><span style='font-size:8.0pt;
+font-family:"Courier New";font-weight:normal'><span
+style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
+style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>      
+</span>5.36<span style='mso-spacerun:yes'>     </span>3.124<span
+style='mso-spacerun:yes'>     </span>2.364<span style='mso-spacerun:yes'> 
+</span><span style='mso-spacerun:yes'>   </span>1.785<span
 style='mso-spacerun:yes'>     </span>1.334<span style='mso-spacerun:yes'>    
 </span>1.016<span style='mso-spacerun:yes'>    </span>0.9211<span
@@ -2474 +2495 @@
 
 <p class=MsoNormal>What we like to show is the unit cell contents with the PO<sub>4</sub><sup>-3</sup>
-ions as tetrahedra and the Ca and F atoms as balls. Begin by finding <b
+ions as <span class=SpellE>tetrahedra</span> and the Ca and F atoms as balls.
+Begin by finding <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'>Phases/<span class=SpellE>fap</span></span></b>
+in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>GSAS-II data tree</span></b> and selecting 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap</span></b> in <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Draw Options</span></b> tab. The <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase
+data for <span class=SpellE>fap</span></span></b> window shows <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> and
-selecting 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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Drawing
-Options</span></b> tab. The <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Phase data for fap</span></b> window shows <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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Drawing controls</span></b></p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Drawing Options</span></b></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_16" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:292.5pt;
- height:327pt;visibility:visible;mso-wrap-style:square'>
- <v:imagedata src="Laboratory%20X_files/image016.png" o:title=""/>
-</v:shape><![endif]--><![if !vml]><img border=0 width=390 height=436
-src="Laboratory%20X_files/image016.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
-
-<p class=MsoNormal>The plot will show a new tab marked <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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>fap</span></b> showing some balls in various
-colors. A unit cell box is drawn with 3 colored edges (Red, Green &amp; Blue
-for a, b, c axes, respectively). A multicolored (RGB, again) 3D cross is at the
-center of the plot.</p>
+ id="Picture_x0020_28" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
+ height:174pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image041.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=232
+src="Laboratory%20X_files/image042.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
+
+<p class=MsoNormal>The plot will show a new tab marked <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'>fap</span></b></span> showing some balls in various colors. A unit
+cell box is drawn with 3 colored edges (Red, Green &amp; Blue for a, b, c axes,
+respectively). A multicolored (RGB, again) 3D cross is at the center of the
+plot.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2513 +2533 @@
   cropbottom="18161f" cropleft="42255f" cropright="8056f"/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=490 height=419
-src="Laboratory%20X_files/image025.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
+src="Laboratory%20X_files/image043.jpg" v:shapes="Picture_x0020_1"><![endif]></span></p>
 
 <p class=MsoNormal>Notice the slider controls in <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Drawing controls; </span></b>you can change
-them to change the how the structure is displayed. Press the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw atoms</span></b> tab; this will
-show the list of atoms that are drawn in the picture.</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Drawing
+controls; </span></b>you can change them to change the how the structure is
+displayed. Press the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
+tab; this will show the list of atoms that are drawn in the picture.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_289" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:450pt;
- height:225pt;visibility:visible;mso-wrap-style:square'>
- <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/image019.png" v:shapes="Picture_x0020_289"><![endif]></span></p>
+ id="Picture_x0020_29" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
+ height:174pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="Laboratory%20X_files/image044.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=232
+src="Laboratory%20X_files/image045.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
 
 <p class=MsoNormal>This is a copy of what is in the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Atoms</span></b> table; there are columns that
-allow you to change how the atoms are displayed, their labels and their color
-all controlled on an atom-by-atom basis. Now if the contents of the <b
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
+table; there are columns that allow you to change how the atoms are displayed,
+their labels and their color all controlled on an atom-by-atom basis. Now if
+the contents of 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>
+table change (e.g. by refinement) then you must manually update 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> table change (e.g. by
-refinement) then you must manually update 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-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> table by erasing 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>. They are then
-automatically refreshed from the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Draw Atoms</span></b> table by erasing 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>. They are then automatically refreshed from
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Atoms</span></b> table with the new values. Do this by selecting
 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-font-family:
-Calibri;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; they will all be green on the plot. 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Delete atoms</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. All the
-atoms will vanish and then reappear with updated values. Now we can draw the
-structure assured that we are using the final result from the refinement. </p>
+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; they will all
+be green on the plot. 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:minor-latin'>Edit/Delete
+atoms</span></b> in the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
+menu. All the atoms will vanish and then reappear with updated values. Now we
+can draw the structure assured that we are using the final result from the
+refinement. </p>
 
 <p class=MsoNormal>To build the structure model we want to show with PO<sub>4</sub>
-tetrahedra and balls for the F and Ca atoms in a unit cell box (the box should
-already be visible) do the following steps:</p>
+<span class=SpellE>tetrahedra</span> and balls for the F and Ca atoms in a unit
+cell box (the box should already be visible) do the following steps:</p>
 
 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2575 +2592 @@
 all the atoms in the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Draw Atoms</span></b> tab by double clicking in upper left corner
-box of the table. All atoms in the table are then displayed in dark gray and
-they all are green on the drawing indicating their selection.</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
+tab by double clicking in upper left corner box of the table. All atoms in the
+table are then displayed in dark gray and they all are green on the drawing
+indicating their selection.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2584 +2601 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Fill unit cell</span></b> from
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. The
-drawing will show the unit cell filled with atoms in positions equivalent to
-the original set and the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Draw Atoms</span></b> table will have all of them listed. The <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit Figure/Fill unit cell</span></b> from the menu. The drawing
+will show the unit cell filled with atoms in positions equivalent to the
+original set and the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
+table will have all of them listed. 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'>Sym</span></b></span><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Sym Op</span></b> column in the table shows
-the symmetry operator number and unit cell translation used to generate that
-position.</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'> Op</span></b> column in the table shows the symmetry operator
+number and unit cell translation used to generate that position.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2605 +2620 @@
 click on the column label <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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Type</span></b>. A small dialog window will appear with a list of
-element types in this structure. Select <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>P</span></b> by checking the box and 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>P</span></b> atoms will be bright
-green and they will be highlighted in dark gray in the table</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Type</span></b>.
+A small dialog window will appear with a list of element types in this
+structure. Select <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P</span></b>
+by checking the box and 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:minor-latin'>OK</span></b>.
+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'>P</span></b> atoms will be bright green and they will be
+highlighted in dark gray in the table</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2623 +2637 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Fill CN-sphere</span></b> in the <b
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit Figure/Fill CN-sphere</span></b> in the menu. Each <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. Each <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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>P</span></b> atom will now have its
-full complement of 4 O atoms.</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>P</span></b> atom will now have its full complement of 4 O atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2638 +2648 @@
 step 3 to select 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>P</span></b> atoms again.</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P</span></b> atoms
+again.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2645 +2655 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom style</span></b> from the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. A small
-dialog bow will appear with a list of possible atom drawing styles. Notice the
-first one is blank; that will cause the atom to not be drawn. Select <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>polyhedra</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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b>. Each <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-font-family:
-Calibri;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 Ca atom was included – this will be fixed in a moment).</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit Figure/Atom style</span></b> from the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw
+Atoms</span></b> menu. A small dialog bow will appear with a list of possible
+atom drawing styles. Notice the first one is blank; that will cause the atom to
+not be drawn. Select <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'>polyhedra</span></b></span>
+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>. Each <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'>P</span></b>
+atom will be drawn as a brass colored polyhedron (with too many faces to be a
+tetrahedron because a nearby Ca 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
@@ -2669 +2678 @@
 do step 3 yet again but this time select the <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>O</span></b> atoms.</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>O</span></b>
+<span class=GramE>atoms.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2676 +2685 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom style</span></b> and pick
-the blank entry 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>OK</span></b>; the O atoms will vanish leaving some odd polyhedra
-and the Ca and F atoms.</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit Figure/Atom style</span></b> and pick the blank entry 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 O atoms will vanish leaving some odd <span
+class=SpellE>polyhedra</span> and the Ca and F atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2688 +2696 @@
 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'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Drawing Options</span></b> tab and
-change the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Bond
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Drawing Options</span></b> tab and change the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Bond
 search factor</span></b> to <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>0.80</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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Enter</span></b>; the odd polyhedra will immediately change to
-tetrahedra.</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0.80</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'>Enter</span></b>; the odd <span class=SpellE>polyhedra</span> will
+immediately change to <span class=SpellE>tetrahedra</span>.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2707 +2713 @@
 can adjust the <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>van
-der Waals scale</span></b> to make all the balls any size you desire.</p>
+minor-latin;mso-bidi-theme-font:minor-latin'>van der Waals scale</span></b> to
+make all the balls any size you desire.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2716 +2722 @@
 change this. Select the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Draw Atoms</span></b> tab, then do step 3 selecting 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Ca</span></b> atoms.</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b>
+tab, then do step 3 selecting 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'>Ca</span></b>
+atoms.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo4'><![if !supportLists]><span
@@ -2726 +2732 @@
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Atom color</span></b> in the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Draw Atoms</span></b> menu. A color
-selection dialog box will appear (NB: this dialog is operating system dependent
-– we will assume you are using a Windows7 machine). The dialog box looks like
-(I pressed <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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Define
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit/Atom color</span></b> in the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Draw
+Atoms</span></b> menu. A color selection dialog box will appear (NB: this
+dialog is operating system dependent – we will assume you are using a Windows7
+machine). The dialog box looks like (I pressed <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'>Define
 Custom Colors</span></b>)</p>
 
@@ -2748 +2753 @@
 to either a) choose your color by finding it in <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Basic colors</span></b> and 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>OK</span></b> or b) 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Define Custom Colors</span></b>, move
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Basic
+colors</span></b> and 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:minor-latin'>OK</span></b>
+or b) 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'>Define Custom Colors</span></b>, move
 the cross around on the spectrum display, set the vertical slider for the
-luminosity (<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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>ColorSolid</span></b>
+luminosity (<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'>ColorSolid</span></b></span>
 will show the result), and 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>OK</span></b>. The drawing will now show that color for the atoms
-and the color will appear in the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
+The drawing will now show that color for the atoms and the color will appear in
+the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Draw Atoms</span></b> table. If you don’t like your colors select <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Edit/Reset atom colors</span></b> to
-put them back to their default colors. In my drawing I’ve made the Ca atoms a
-medium gray</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Edit/Reset atom colors</span></b> to put them back to their
+default colors. In my drawing I’ve made the Ca atoms a medium gray</p>
 
 <p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2779 +2781 @@
  <v:imagedata src="Laboratory%20X_files/image021.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=582 height=496
-src="Laboratory%20X_files/image026.png" v:shapes="Picture_x0020_288"><![endif]></span></p>
+src="Laboratory%20X_files/image046.png" v:shapes="Picture_x0020_288"><![endif]></span></p>
 
 <h2>Step 10. 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>
 
@@ -2792 +2794 @@
 start select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
-tab in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Phases/fap</span></b>.</p>
+minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab in <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Phases/<span class=SpellE>fap</span></span></b>.</p>
 
 <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
-the first Ca atoms by clicking on its row label (an “<b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>0</span></b>”). Add to the selection the other
-Ca atom and the P atom in the same way with the Ctrl key down; all will be
-highlighted in blue.</p>
+the first Ca atoms by clicking on its row label (<span class=GramE>an</span> “<b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>0</span></b>”). Add to the selection the other Ca atom and the P
+atom in the same way with the Ctrl key down; all will be highlighted in blue.</p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo6'><![if !supportLists]><span
@@ -2811 +2812 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Compute/Show Distances &amp; Angles</span></b>
-from the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Atoms</span></b> menu. A small dialog
-box will appear</p>
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Compute/Show Distances &amp; Angles</span></b> from the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Atoms</span></b> menu. A small dialog box will appear</p>
 
 <p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2828 +2828 @@
 on various atom radii to consider for both distance and angle calculations as
 well as global search factors. Considering our experience with drawing the PO<sub>4</sub>
-tetrahedra the <b style='mso-bidi-font-weight:normal'><span style='font-family:
+<span class=SpellE>tetrahedra</span> the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Bond</span></b>
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Bond</span></b>
-and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;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-font-family:Calibri;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-font-family:Calibri;mso-bidi-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 esds as appropriate for the
-two Ca atoms and the P atom.</p>
+tables of individual atom distances and angles with <span class=SpellE>esds</span>
+as appropriate for the two Ca atoms and the P atom.</p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase
-fap<o:p></o:p></span></p>
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
+class=SpellE>fap</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
@@ -2858 +2857 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive hexagonal<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The lattice is centrosymmetric primitive
+hexagonal<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
@@ -2870 +2870 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
+class=GramE>,0,0</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -2880 +2881 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
-</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'>     </span>X, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
-</span>-Y,<span style='mso-spacerun:yes'>   </span>X-Y,<span
-style='mso-spacerun:yes'>    </span><span
-style='mso-spacerun:yes'> </span>Z<span style='mso-spacerun:yes'>      
-</span>( 4)<span style='mso-spacerun:yes'>    </span>-X,<span
-style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>  
-</span>Y-X,<span style='mso-spacerun:yes'>    </span>-X,<span
-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<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
+style='mso-spacerun:yes'>     </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'>     </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
+style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
+style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
+</span>-X,<span 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<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -2919 +2919 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
-style='mso-spacerun:yes'>      </span>CA1<span
-style='mso-spacerun:yes'>         </span>CA1<span
-style='mso-spacerun:yes'>         </span>CA1<span
-style='mso-spacerun:yes'>         </span>CA1<span
-style='mso-spacerun:yes'>         </span>CA1<span
-style='mso-spacerun:yes'>         </span>CA1<o:p></o:p></span></p>
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span style='mso-spacerun:yes'>     
+</span>CA1<span style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
+style='mso-spacerun:yes'>         </span><span class=SpellE>CA1</span><span
+style='mso-spacerun:yes'>       </span><span style='mso-spacerun:yes'>  </span><span
+class=SpellE>CA1</span><span style='mso-spacerun:yes'>         </span><span
+class=SpellE>CA1</span><span style='mso-spacerun:yes'>         </span><span
+class=SpellE>CA1</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>   </span>O6<span style='mso-spacerun:yes'>         
-</span>O6<o:p></o:p></span></p>
+</span><span class=SpellE>O6</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'>  
-</span>3.471(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-2)<span style='mso-spacerun:yes'>  
-</span>3.415(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-2)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 0 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'>  
-</span>3.471(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'>  
-</span>3.415(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-6)<span style='mso-spacerun:yes'>  
-</span>3.471(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
+style='mso-spacerun:yes'>   </span>3.471(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>CA1<span style='mso-spacerun:yes'>    
-</span>[ 1 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-6)<span style='mso-spacerun:yes'>  
-</span>3.415(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-6)<span
+style='mso-spacerun:yes'>   </span>3.415(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<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>2.3860(28)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
-</span>2.3860(28)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
-</span>2.3860(28)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 0-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>2)<span style='mso-spacerun:yes'> 
-</span>2.4620(31)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>2)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'> 
-</span>2.4620(31)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.4620(31)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3015 +3016 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<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>O7<span
-style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3012(11)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
-</span>2.350(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>   </span>2.350(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.5128(30)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.3434(24)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
-</span>2.3434(24)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>2.5128(30)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3070 +3072 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
@@ -3077 +3080 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<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>1.548(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<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>1.569(4)<span style='mso-spacerun:yes'>   </span>110.37(23)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0] <span
+style='mso-spacerun:yes'> </span>+(<span style='mso-spacerun:yes'>  
+</span>1)<span style='mso-spacerun:yes'>   </span>1.569(4)<span
+style='mso-spacerun:yes'>   </span>110.37(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><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>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
-style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
-style='mso-spacerun:yes'>  </span>108.77(15)<span style='mso-spacerun:yes'> 
-</span>108.74(23)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
+style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal>There is probably too many bonds shown for the Ca1 atom and
@@ -3106 +3110 @@
 to fix this. Setting 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Bond</span></b> and <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Bond</span></b>
+and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Angle</span></b> Ca radii to <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
@@ -3124 +3127 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase
-fap<o:p></o:p></span></p>
+style='mso-spacerun:yes'>   </span>Interatomic Distances and Angles for phase <span
+class=SpellE>fap</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>********************************************************************************<o:p></o:p></span></p>
@@ -3148 +3151 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>The inversion center is located at 0,0,0<o:p></o:p></span></p>
+style='mso-spacerun:yes'> </span>The inversion center is located at 0<span
+class=GramE>,0,0</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3158 +3162 @@
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 1)<span style='mso-spacerun:yes'>    
-</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'>     </span>X, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 3)<span style='mso-spacerun:yes'>   
-</span>-Y,<span style='mso-spacerun:yes'>   </span>X-Y,<span
-style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
-</span>( 4)<span style='mso-spacerun:yes'>    </span>-X,<span
-style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'> </span>( 5)<span style='mso-spacerun:yes'>  
-</span>Y-X,<span style='mso-spacerun:yes'>    </span>-X,<span
-style='mso-spacerun:yes'>     </span>Z<span style='mso-spacerun:yes'>      
+style='mso-spacerun:yes'> </span><span class=GramE>( 1</span>)<span
+style='mso-spacerun:yes'>     </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'>     </span>X, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 3</span>)<span
+style='mso-spacerun:yes'>    </span>-Y,<span style='mso-spacerun:yes'>  
+</span>X-Y,<span style='mso-spacerun:yes'>     </span>Z<span
+style='mso-spacerun:yes'>       </span>( 4)<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>    </span>-Y, 1/2+Z<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'> </span><span class=GramE>( 5</span>)<span
+style='mso-spacerun:yes'>   </span>Y-X,<span style='mso-spacerun:yes'>   
+</span>-X,<span style='mso-spacerun:yes'>  </span><span
+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<o:p></o:p></span></p>
@@ -3196 +3201 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
-style='mso-spacerun:yes'>          </span>O5<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 class=SpellE>O5</span><span
 style='mso-spacerun:yes'>          </span>O6<span
-style='mso-spacerun:yes'>          </span>O6<o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span><span class=SpellE>O6</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<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>2.3860(28)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'> 
-</span>2.3860(28)<span style='mso-spacerun:yes'>  </span>74.44(11)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
+</span>74.44(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>5)<span style='mso-spacerun:yes'> 
-</span>2.3860(28)<span style='mso-spacerun:yes'>  </span>74.44(11)<span
-style='mso-spacerun:yes'>   </span>74.44(11)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>  </span>O6 <span
-style='mso-spacerun:yes'>     </span>[ 0 0-1]<span style='mso-spacerun:yes'> 
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>5)<span
+style='mso-spacerun:yes'>  </span>2.3860(28)<span style='mso-spacerun:yes'> 
+</span>74.44(11)<span style='mso-spacerun:yes'>   </span>74.44(11)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 0-1]<span style='mso-spacerun:yes'> 
 </span>+(<span style='mso-spacerun:yes'>   </span>2)<span
 style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'> 
@@ -3232 +3239 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>4)<span style='mso-spacerun:yes'> 
-</span>2.4620(31)<span style='mso-spacerun:yes'>   </span>92.77(9)<span
+</span><span class=GramE>[ 1</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>4)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'>  
+</span>92.77(9)<span style='mso-spacerun:yes'>   </span>124.40(11)<span
+style='mso-spacerun:yes'>  </span>154.16(12)<span style='mso-spacerun:yes'> 
+</span>75.80(12)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
+style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
+</span><span class=GramE>[ 0</span> 1-1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.4620(31)<span style='mso-spacerun:yes'> 
+</span>154.16(12)<span style='mso-spacerun:yes'>   </span>92.77(9)<span
 style='mso-spacerun:yes'>   </span>124.40(11)<span style='mso-spacerun:yes'> 
-</span>154.16(12)<span style='mso-spacerun:yes'>  </span>75.80(12)<o:p></o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
-style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 0 1-1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.4620(31)<span style='mso-spacerun:yes'>  </span>154.16(12)<span
-style='mso-spacerun:yes'>   </span>92.77(9)<span style='mso-spacerun:yes'>  
-</span>124.40(11)<span style='mso-spacerun:yes'>  </span>75.80(12)<span
-style='mso-spacerun:yes'>   </span>75.80(12)<o:p></o:p></span></p>
+</span>75.80(12)<span style='mso-spacerun:yes'>   </span>75.80(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3259 +3267 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<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>O7<span
-style='mso-spacerun:yes'>          </span>O7<o:p></o:p></span></p>
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><span
+style='mso-spacerun:yes'>          </span><span class=SpellE>O7</span><o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>F4<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.3012(11)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.3012(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<span style='mso-spacerun:yes'>     
-</span>[ 1 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>3)<span style='mso-spacerun:yes'>  
-</span>2.350(4)<span style='mso-spacerun:yes'>   </span>152.07(12)<o:p></o:p></span></p>
+</span><span class=GramE>[ 1</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>3)<span
+style='mso-spacerun:yes'>   </span>2.350(4)<span style='mso-spacerun:yes'>  
+</span>152.07(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>1)<span style='mso-spacerun:yes'> 
-</span>2.5128(30)<span style='mso-spacerun:yes'>   </span>81.10(7)<span
-style='mso-spacerun:yes'>   </span>74.63(11)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
+</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>   </span>6)<span style='mso-spacerun:yes'> 
-</span>2.3434(24)<span style='mso-spacerun:yes'>  </span>102.85(8)<span
-style='mso-spacerun:yes'>    </span>85.36(8)<span style='mso-spacerun:yes'>  
-</span>135.15(12)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>6)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
+</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
+style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 0]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-3)<span style='mso-spacerun:yes'> 
-</span>2.3434(24)<span style='mso-spacerun:yes'>  </span>102.85(8)<span
-style='mso-spacerun:yes'>    </span>85.36(8)<span style='mso-spacerun:yes'>   
-</span>77.50(6)<span style='mso-spacerun:yes'>   </span>141.17(14)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-3)<span
+style='mso-spacerun:yes'>  </span>2.3434(24)<span style='mso-spacerun:yes'> 
+</span>102.85(8)<span style='mso-spacerun:yes'>    </span>85.36(8)<span
+style='mso-spacerun:yes'>    </span>77.50(6)<span style='mso-spacerun:yes'>  
+</span>141.17(14)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 1 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>2.5128(30)<span style='mso-spacerun:yes'>   </span>81.10(7)<span
-style='mso-spacerun:yes'>   </span>74.63(11)<span style='mso-spacerun:yes'>  
-</span>58.76(12)<span style='mso-spacerun:yes'>    </span>77.50(6)<span
-style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 1 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>2.5128(30)<span style='mso-spacerun:yes'>  
+</span>81.10(7)<span style='mso-spacerun:yes'>   </span>74.63(11)<span
+style='mso-spacerun:yes'>   </span>58.76(12)<span style='mso-spacerun:yes'>   
+</span>77.50(6)<span style='mso-spacerun:yes'>   </span>135.15(12)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
@@ -3322 +3333 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>To<span style='mso-spacerun:yes'>      
-</span>cell +(sym. op.)<span style='mso-spacerun:yes'>      </span>dist.<span
+</span>cell <span class=GramE>+(</span>sym. op.)<span
+style='mso-spacerun:yes'>      </span>dist.<span
 style='mso-spacerun:yes'>       </span>O5<span
 style='mso-spacerun:yes'>          </span>O6<span
@@ -3329 +3341 @@
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O5<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>1.548(4)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.548(4)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O6<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>1.569(4)<span style='mso-spacerun:yes'>   </span>110.37(23)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>   </span>1.569(4)<span style='mso-spacerun:yes'>  
+</span>110.37(23)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><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>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
-style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
+</span><span class=GramE>[ 0</span> 0 0]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>   </span>1)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'><span
 style='mso-spacerun:yes'>  </span>O7<span style='mso-spacerun:yes'>     
-</span>[ 0 0 1]<span style='mso-spacerun:yes'>  </span>+(<span
-style='mso-spacerun:yes'>  </span>-4)<span style='mso-spacerun:yes'> 
-</span>1.5167(27)<span style='mso-spacerun:yes'>  </span>110.07(15)<span
-style='mso-spacerun:yes'>  </span>108.77(15)<span style='mso-spacerun:yes'> 
-</span>108.74(23)<o:p></o:p></span></p>
-
-<p class=MsoNormal>which is probably more reasonable.</p>
-
-<p class=MsoNormal>This concludes this tutorial for Rietveld refinement of
-fluroapatite.</p>
+</span><span class=GramE>[ 0</span> 0 1]<span style='mso-spacerun:yes'> 
+</span>+(<span style='mso-spacerun:yes'>  </span>-4)<span
+style='mso-spacerun:yes'>  </span>1.5167(27)<span style='mso-spacerun:yes'> 
+</span>110.07(15)<span style='mso-spacerun:yes'>  </span>108.77(15)<span
+style='mso-spacerun:yes'>  </span>108.74(23)<o:p></o:p></span></p>
+
+<p class=MsoNormal><span class=GramE>which</span> is probably more reasonable.</p>
+
+<p class=MsoNormal>This concludes this tutorial for Rietveld refinement of <span
+class=SpellE>fluroapatite</span>.</p>
 
 <p class=MsoNormal style='margin-left:.25in'><o:p>&nbsp;</o:p></p>

Tutorials/LabData/Laboratory X_files/filelist.xml

@@ -3 +3 @@
  <o:File HRef="themedata.thmx"/>
  <o:File HRef="colorschememapping.xml"/>
+ <o:File HRef="image007.png"/>
  <o:File HRef="image001.png"/>
+ <o:File HRef="image022.png"/>
  <o:File HRef="image002.png"/>
+ <o:File HRef="image028.png"/>
  <o:File HRef="image003.png"/>
  <o:File HRef="image004.png"/>
+ <o:File HRef="image024.png"/>
  <o:File HRef="image005.png"/>
  <o:File HRef="image006.png"/>
- <o:File HRef="image024.png"/>
+ <o:File HRef="image025.png"/>
  <o:File HRef="image008.png"/>
- <o:File HRef="image009.png"/>
+ <o:File HRef="image026.png"/>
+ <o:File HRef="image033.png"/>
  <o:File HRef="image010.png"/>
- <o:File HRef="image011.png"/>
- <o:File HRef="image012.png"/>
- <o:File HRef="image013.png"/>
+ <o:File HRef="image034.png"/>
+ <o:File HRef="image035.png"/>
+ <o:File HRef="image036.png"/>
+ <o:File HRef="image037.png"/>
+ <o:File HRef="image038.png"/>
  <o:File HRef="image014.png"/>
- <o:File HRef="image015.png"/>
- <o:File HRef="image016.png"/>
+ <o:File HRef="image039.png"/>
+ <o:File HRef="image040.png"/>
+ <o:File HRef="image041.png"/>
+ <o:File HRef="image042.png"/>
  <o:File HRef="image017.png"/>
- <o:File HRef="image025.jpg"/>
- <o:File HRef="image019.png"/>
+ <o:File HRef="image043.jpg"/>
+ <o:File HRef="image044.png"/>
+ <o:File HRef="image045.png"/>
  <o:File HRef="image020.png"/>
  <o:File HRef="image021.png"/>
- <o:File HRef="image026.png"/>
+ <o:File HRef="image046.png"/>
  <o:File HRef="image023.png"/>
  <o:File HRef="filelist.xml"/>