Changeset 2389 for Tutorials

Timestamp:

Jul 28, 2016 2:17:46 PM (7 years ago)

Author:

vondreele

Message:

 

File:

• Tutorials/FitPeaks/Fit Peaks.htm (modified) (25 diffs)

Tutorials/FitPeaks/Fit Peaks.htm

@@ -23 +23 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>6</o:Revision>
-  <o:TotalTime>948</o:TotalTime>
+  <o:Revision>7</o:Revision>
+  <o:TotalTime>1035</o:TotalTime>
   <o:Created>2014-07-21T14:48:00Z</o:Created>
-  <o:LastSaved>2015-03-17T15:22:00Z</o:LastSaved>
-  <o:Pages>1</o:Pages>
-  <o:Words>3024</o:Words>
-  <o:Characters>17242</o:Characters>
+  <o:LastSaved>2016-07-28T18:11:00Z</o:LastSaved>
+  <o:Pages>27</o:Pages>
+  <o:Words>3023</o:Words>
+  <o:Characters>17232</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
   <o:Lines>143</o:Lines>
   <o:Paragraphs>40</o:Paragraphs>
-  <o:CharactersWithSpaces>20226</o:CharactersWithSpaces>
-  <o:Version>15.00</o:Version>
+  <o:CharactersWithSpaces>20215</o:CharactersWithSpaces>
+  <o:Version>16.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -44 +44 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
+  <w:View>Print</w:View>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -663 +664 @@
         {font-family:"Cambria Math";
         panose-1:2 4 5 3 5 4 6 3 2 4;
-        mso-font-charset:0;
+        mso-font-charset:1;
         mso-generic-font-family:roman;
         mso-font-pitch:variable;
-        mso-font-signature:-536870145 1107305727 0 0 415 0;}
+        mso-font-signature:0 0 0 0 0 0;}
 @font-face
         {font-family:Calibri;
@@ -1169 +1170 @@
         mso-hansi-font-family:"Courier New";
         mso-bidi-font-family:"Courier New";}
+p.msonormal0, li.msonormal0, div.msonormal0
+        {mso-style-name:msonormal;
+        mso-style-noshow:yes;
+        mso-style-priority:99;
+        mso-style-unhide:no;
+        mso-margin-top-alt:auto;
+        margin-right:0in;
+        mso-margin-bottom-alt:auto;
+        margin-left:0in;
+        mso-pagination:widow-orphan;
+        font-size:12.0pt;
+        font-family:"Times New Roman",serif;
+        mso-fareast-font-family:"Times New Roman";
+        mso-fareast-theme-font:minor-fareast;}
 span.TitleChar
         {mso-style-name:"Title Char";
@@ -1460 +1475 @@
 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/Powder Data/from GSAS powder data
-file</span></b> menu item to read the data file into the current GSAS-II
+Calibri;mso-bidi-theme-font:minor-latin'>Import/Powder Data/from GSAS powder
+data file</span></b> menu item to read the data file into the current GSAS-II
 project. This read option is set to read any of the powder data formats defined
 for GSAS (angles in <span class=SpellE>centidegrees</span>, TOF in µsec). Other
@@ -1491 +1506 @@
 minor-latin'>Help/Download tutorial</span></b><span style='mso-fareast-font-family:
 Calibri;mso-fareast-theme-font:minor-latin'> menu entry to open this page and
-downloaded the exercise files (recommended), then the </span><b
+downloaded the exercise files (recommended), then the </span><span
+class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
+Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>FitPeaks</span></b></span><b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Import/...</span></b><span
+minor-latin;mso-hansi-theme-font:minor-latin'>/data/...</span></b><span
 style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'>
 entry will bring you to the location where the files have been downloaded. (It
@@ -1517 +1535 @@
 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 <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'>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'> 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-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
-proceed.</p>
+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>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
@@ -1575 +1589 @@
 src="Fit%20Peaks_files/image001.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
 
-<p class=MsoNormal><span class=GramE>and</span> the plot window will show the
-powder pattern</p>
+<p class=MsoNormal>and the plot window will show the powder pattern</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1049" type="#_x0000_t75" style='width:525pt;height:450pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_2" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Fit%20Peaks_files/image002.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Fit%20Peaks_files/image002.png" v:shapes="_x0000_i1049"><![endif]></span></p>
+src="Fit%20Peaks_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
 
 <h2>Step 2: Select Limits </h2>
@@ -1674 +1687 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space:
-auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1047"
- type="#_x0000_t75" style='width:525pt;height:450pt;visibility:visible;
- mso-wrap-style:square'>
+auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
+ o:spid="_x0000_i1047" type="#_x0000_t75" style='width:525pt;height:450pt;
+ visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Fit%20Peaks_files/image004.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
-src="Fit%20Peaks_files/image004.png" v:shapes="_x0000_i1047"><![endif]></span></p>
+src="Fit%20Peaks_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space:
-auto'><span class=GramE>and</span> peaks are shown 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'>Peak List</span></b> window in order of
-increasing 2<span style='font-family:Symbol'>Q</span>.</p>
+auto'>and peaks are shown 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'>Peak List</span></b> window in order of increasing 2<span
+style='font-family:Symbol'>Q</span>.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space:
@@ -1698 +1711 @@
 <p class=MsoListParagraphCxSpLast style='margin-left:39.0pt;mso-add-space:auto'>There
 will be 20 peaks in this example. You should examine both the list and the plot
-to be sure the auto search did not pick a peak twice (quite rarely) or skip a
-peak or shoulder. You can add a peak to the list by pressing the left mouse
-button with the pointer on a data point at the peak top or shoulder; be sure
-the zoom/shift buttons are off. You may drag a peak position as needed. A
-position may be deleted with a right click with the mouse on the blue line. You
-can also delete a peak by selecting the row in the table; it will be
-highlighted in blue. Then press the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Delete</span></b> key; it will be removed
-from the table and the plot. The list will always show the peaks sorted by
-position. When done you should have 20 unique peak positions.</p>
+to be sure the auto search did not pick a peak twice (rarely) or skip a peak or
+shoulder. You can add a peak to the list by pressing the left mouse button with
+the pointer on a data point at the peak top or shoulder; be sure the zoom/shift
+buttons are off. You may drag a peak position as needed. A position may be
+deleted with a right click with the mouse on the blue line. You can also delete
+a peak by selecting the row in the table; it will be highlighted in blue. Then
+press the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Delete</span></b>
+key; it will be removed from the table and the plot. The list will always show
+the peaks sorted by position. When done you should have 20 unique peak
+positions.</p>
 
 <h2>Step 4: Refine Peak Positions</h2>
@@ -1768 +1781 @@
 auto;text-indent:-.25in;mso-list:l2 level2 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-class=GramE>single-click</span> on any value in the table to select it, for
-example the first peak position. A black box appears around the value. </p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>single-click
+on any value in the table to select it, for example the first peak position. A
+black box appears around the value. </p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
 text-indent:-.25in;mso-list:l2 level2 lfo6'><![if !supportLists]><span
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
-style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
-class=GramE>single-click</span> 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'>refine</span></b> label above the peak
-position check-boxes. The entire column of checkboxes is highlighted in blue.
-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'>y</span></b> key to turn on all
-refinement flags (<b style='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'>n</span></b> would turn them off).</p>
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>single-click
+on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>refine</span></b>
+label above the peak position check-boxes. The entire column of checkboxes is
+highlighted in blue. 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'>y</span></b> key to turn on all refinement flags (<b
+style='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'>n</span></b> would turn them off).</p>
 
 <p class=MsoNormal style='margin-left:.5in'>Next, repeat the refinement using
@@ -1887 +1899 @@
 style='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'>Operations/Load/Reload</span></b> to copy
-the fitted peaks from the <b style='mso-bidi-font-weight:normal'><span
+Calibri;mso-bidi-theme-font:minor-latin'>Operations/Load/Reload</span></b> to
+copy the fitted peaks 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:
@@ -1961 +1973 @@
 style='mso-spacerun:yes'> </span></p>
 
-<p class=MsoNormal><span class=GramE>while</span> the (M20~600) cell with
-a=2.93932 Å generates not enough lines to match all the peaks</p>
+<p class=MsoNormal>while the (M20~600) cell with a=2.93932 Å generates not
+enough lines to match all the peaks</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1982 +1994 @@
 two-theta zero: click on the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>checkbox</span>
-next to the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Zero
-offset</span></b> value and then 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'>Cell Index/Refine/Refine Cell</span></b> menu option. The M20
-improves to ~3600 and <span class=GramE>the a</span> cell parameter value
-shifts from 4.15683 to 4.15691 when zero is refined. (NB: The certificate value
-for NIST SRM 660a is 4.15692 Å). 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'>Show <span class=SpellE>hkl</span> positions </span></b>button to
-update the plot including the refined <b style='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'>Zero offset</span></b> (in this case hardly anything
-happens!).<span style='mso-spacerun:yes'>  </span></p>
+mso-hansi-theme-font:minor-latin'>Refine?</span></b> checkbox next to the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
+Calibri;mso-bidi-theme-font:minor-latin'>Zero offset</span></b> value and then
+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'>Cell Index/Refine/Refine Cell</span></b>
+menu option. The M20 improves to ~3600 and <span class=GramE>the a</span> cell
+parameter value shifts from 4.15683 to 4.15691 when zero is refined. (NB: The
+certificate value for NIST SRM 660a is 4.15692 Å). 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'>Show <span class=SpellE>hkl</span>
+positions </span></b>button to update the plot including the refined <b
+style='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'>Zero offset</span></b> (in this case
+hardly anything happens!).<span style='mso-spacerun:yes'>  </span></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2016 +2027 @@
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
 Calibri;mso-bidi-theme-font:minor-latin'>Unit Cells List</span></b> window with
-an improved <span class=GramE>M20(</span>~3600) and a new value for <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Zero offset</span></b> is shown. NB:
-the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Show <span
-class=SpellE>hkl</span> positions</span></b> button has an additional use; you
-can enter 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'>Bravais</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'> lattice</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'>Space group</span></b>
-&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+an improved M20(~3600) and a new value for <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin'>Zero offset</span></b> is shown. NB: the <b style='mso-bidi-font-weight:
+normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
+minor-latin;mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>hkl</span>
+positions</span></b> button has an additional use; you can enter 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'>Bravais</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'> lattice</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'>Space group</span></b> &amp; <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Unit cell</span></b>
 for any material. Then pressing <b style='mso-bidi-font-weight:normal'><span
@@ -2063 +2074 @@
 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
 minor-latin'>GSAS-II data tree </span></b>window. You will be asked if you want
-the current project saved; if <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'>Yes</span></b></span> then all the peak
-fitting/indexing &amp; cell refinement results will be saved to the <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>LaB6.gpx</span></b> file. If <b
-style='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'>No</span></b> then the file will
-remain as it was when created at Step 4 above.</p>
+the current project saved; if <b style='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> then all the peak fitting/indexing &amp; cell
+refinement results will be saved to the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin'>LaB6.gpx</span></b> file. If <b style='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'>No</span></b> then the file will remain as it was when created at
+Step 4 above.</p>
 
 <h1><a name="kryptonite_peak_fit">2<sup>nd</sup> Fit Peaks/</a><span
@@ -2081 +2092 @@
 
 <p class=MsoNormal>In this exercise we will fit peaks and index them for the
-new mineral <a href="http://en.wikipedia.org/wiki/Jadarite"><span class=SpellE>jadarite</span></a>
-(aka “<a href="http://en.wikipedia.org/wiki/Kryptonite">kryptonite</a>”). The
-data were also collected on 11BM-B at APS. The unit cell is monoclinic so it is
-a more substantial test of the indexing capability of GSAS-II. The required
-data files should have been downloaded when you downloaded this tutorial.
-Otherwise you will need to get them manually from <span style='mso-fareast-font-family:
-Calibri;mso-fareast-theme-font:minor-latin'><a
+new mineral <a href="http://en.wikipedia.org/wiki/Jadarite">jadarite</a> (aka “<a
+href="http://en.wikipedia.org/wiki/Kryptonite">kryptonite</a>”). The data were
+also collected on 11BM-B at APS. The unit cell is monoclinic so it is a more
+substantial test of the indexing capability of GSAS-II. The required data files
+should have been downloaded when you downloaded this tutorial. Otherwise you
+will need to get them manually from <span style='mso-fareast-font-family:Calibri;
+mso-fareast-theme-font:minor-latin'><a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Exercises/FitPeaks/">https://subversion.xray.aps.anl.gov/pyGSAS/Exercises/FitPeaks/</a>.
 Be sure to get both </span><b style='mso-bidi-font-weight:normal'><span
@@ -2100 +2111 @@
 <h2>Step 1. Read in the data. </h2>
 
-<p class=MsoNormal>The file 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'>\exercises\<span class=SpellE>FitPeaks</span>\11bmb_6231.fxye</span></b>;
-it has a corresponding <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+<p class=MsoNormal>The file is <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-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>FitPeaks</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'>\data\11bmb_6231.fxye</span></b>; it has a
+corresponding <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-font-family:Calibri;mso-bidi-theme-font:
@@ -2242 +2256 @@
 indexing. Be sure to use <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Keep</span></b> to keep good ones as you try
-new indexing runs. The best solution is the one with the smaller volume and
-&#946; &gt; 90 deg. The plot shows every peak indexed including a weak peak not
+mso-hansi-theme-font:minor-latin'>Keep</span></b> to keep good ones as you try new
+indexing runs. The best solution is the one with the smaller volume and &#946;
+&gt; 90 deg. The plot shows every peak indexed including a weak peak not
 selected for the peak fitting, although the weak peak at 2<span
 style='font-family:Symbol;mso-char-type:symbol;mso-symbol-font-family:Symbol'><span
@@ -2290 +2304 @@
 src="Fit%20Peaks_files/image021.png" v:shapes="Picture_x0020_43"><![endif]></span></p>
 
-<p class=MsoNormal>This concludes this exercise; <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'>Save</span></b></span> the project
-file as it is needed 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-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>Charge Flipping</span></b> <b style='mso-bidi-font-weight:normal'><span
+<p class=MsoNormal>This concludes this exercise; <b style='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'>Save</span></b> the project file as it is
+needed 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-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Charge
+Flipping</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'>in GSAS</span></b> exercise. The features of
@@ -2324 +2338 @@
 mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>11bmb_8714.fxye<span class=GramE>, <span style='font-family:"Times New Roman",serif;
-font-weight:normal'><span style='mso-spacerun:yes'> </span></span>11bmb</span>_8716.fxye</span></b><span
+font-weight:normal'><span style='mso-spacerun:yes'> </span></span>11</span>bmb_8716.fxye</span></b><span
 style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin'> and
 the corresponding .<span class=SpellE>prm</span> files.</span></p>
@@ -2330 +2344 @@
 <h2>Step 1. Read in the data. </h2>
 
-<p class=MsoNormal>The file 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'>\exercises\<span class=SpellE>FitPeaks</span>\11bmb_8716.fxye</span></b>;
-it has a corresponding <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
+<p class=MsoNormal>The file is <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-font-family:Calibri;
+mso-bidi-theme-font:minor-latin'>FitPeaks</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'>\data\11bmb_8716.fxye</span></b>; it has a
+corresponding <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-font-family:Calibri;mso-bidi-theme-font:
@@ -2356 +2373 @@
 
 <p class=MsoNormal>I’ve zoomed in &amp; shifted the plot some to highlight the
-lower part of the pattern; I’ve also chosen to plot the square root of the intensity
-(use ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>S</span></b>’
-key) as this shows weak peaks better.</p>
+lower part of the pattern; I’ve also chosen to plot the square root of the
+intensity (use ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:
+"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
+minor-latin'>S</span></b>’ key) as this shows weak peaks better.</p>
 
 <h2>Step 2 Set limits</h2>
@@ -2380 +2397 @@
 can be moved by dragging the peak line and peaks can be deleted by
 right-clicking on them. This only works when the zoom and reposition modes
-(below) are not selected. An easy to shift the view is to use the ‘&lt;’ and ‘&gt;’
-buttons. Also note the shoulder at ~6.3 <span class=SpellE>deg</span> that
-should be added to the list. I skipped a couple of very weak peaks; the total
-list has &gt;28 peaks.</p>
+(below) are not selected. An easy to shift the view is to use the ‘&lt;’ and
+‘&gt;’ buttons. Also note the shoulder at ~6.3 <span class=SpellE>deg</span>
+that should be added to the list. I skipped a couple of very weak peaks; the
+total list has &gt;28 peaks.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2483 +2500 @@
 new indexing runs. The best solution is the one with the smaller volume and
 &#946; &gt; 90 deg. The plot shows every peak indexed including the weak peaks
-not selected for the peak fitting. Copy the best cell and try to refine it
-along with the <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Zero offset</span></b>. I obtained an improved M20 ~1300 and
-slightly different lattice parameters. Try different space groups, pressing the
-<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Show <span
-class=SpellE>hkl</span> positions</span></b> each time to see which lines
-vanish. The correct space group is P2<sub>1</sub>. Armed with this information you
-can <b style='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'>Make new phase</span></b> for the
-indexed cell (I called it ‘<b style='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'>sucrose</span></b>) and select <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b> from
-the GSAS-II data tree.</p>
+not selected for the peak fitting. Copy the best cell and try to refine it along
+with the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Zero offset</span></b>.
+I obtained an improved M20 ~1300 and slightly different lattice parameters. Try
+different space groups, pressing the <b style='mso-bidi-font-weight:normal'><span
+style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
+mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>hkl</span> positions</span></b>
+each time to see which lines vanish. The correct space group is P2<sub>1</sub>.
+Armed with this information you can <b style='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'>Make new phase</span></b> for the indexed cell (I called it ‘<b
+style='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'>sucrose</span></b>) and select <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phases/sucrose</span></b>
+from the GSAS-II data tree.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape