Changeset 3718

Timestamp:

Nov 5, 2018 5:30:35 AM (5 years ago)

Author:

toby

Message:

restore lost Hold list; new tutorials; cleanup naming in constraint docs

Files:

• Tutorials/CWInstDemo/FindProfParamCW.htm (modified) (26 diffs)
• Tutorials/CWInstDemo/FindProfParamCW_files/filelist.xml (modified) (1 diff)
• Tutorials/CWInstDemo/FindProfParamCW_files/image093.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image094.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image095.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image096.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image097.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image098.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image099.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image100.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image101.png (added)
• Tutorials/CWInstDemo/FindProfParamCW_files/image102.png (added)
• Tutorials/CWInstDemo/data/NIST660CBI.gsas (added)
• Tutorials/FPAfit (added)
• Tutorials/FPAfit/FPAfit.htm (added)
• Tutorials/FPAfit/FPAfit_files (added)
• Tutorials/FPAfit/FPAfit_files/filelist.xml (added)
• Tutorials/FPAfit/FPAfit_files/image001.png (added)
• Tutorials/FPAfit/FPAfit_files/image002.png (added)
• Tutorials/FPAfit/FPAfit_files/image003.png (added)
• Tutorials/FPAfit/FPAfit_files/image004.png (added)
• Tutorials/FPAfit/FPAfit_files/image005.png (added)
• Tutorials/FPAfit/FPAfit_files/image006.png (added)
• Tutorials/FPAfit/FPAfit_files/image007.png (added)
• Tutorials/FPAfit/FPAfit_files/image008.png (added)
• Tutorials/FPAfit/FPAfit_files/image009.png (added)
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• Tutorials/FPAfit/FPAfit_files/image018.png (added)
• Tutorials/FPAfit/FPAfit_files/image019.png (added)
• Tutorials/FPAfit/FPAfit_files/image020.png (added)
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• Tutorials/FPAfit/FPAfit_files/image022.png (added)
• Tutorials/FPAfit/FPAfit_files/image023.png (added)
• Tutorials/FPAfit/FPAfit_files/image024.png (added)
• Tutorials/FPAfit/FPAfit_files/image025.png (added)
• Tutorials/FPAfit/FPAfit_files/themedata.xml (added)
• Tutorials/FitPeaks/Fit Peaks.htm (modified) (1 diff)
• Tutorials/Magnetic-I/Magnetic Structures-I_files/image001.png (modified) (1 prop) (previous)
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• trunk/GSASIIctrlGUI.py (modified) (1 diff)
• trunk/GSASIImapvars.py (modified) (42 diffs)
• trunk/help/Tutorials.html (modified) (2 diffs)

Tutorials/CWInstDemo/FindProfParamCW.htm

@@ -25 +25 @@
   <o:Author>Brian Toby</o:Author>
   <o:LastAuthor>Brian Toby</o:LastAuthor>
-  <o:Revision>4</o:Revision>
-  <o:TotalTime>308</o:TotalTime>
+  <o:Revision>6</o:Revision>
+  <o:TotalTime>372</o:TotalTime>
   <o:Created>2018-04-21T19:50:00Z</o:Created>
-  <o:LastSaved>2018-08-23T20:44:00Z</o:LastSaved>
-  <o:Pages>13</o:Pages>
-  <o:Words>2546</o:Words>
-  <o:Characters>14518</o:Characters>
+  <o:LastSaved>2018-11-04T06:56:00Z</o:LastSaved>
+  <o:Pages>15</o:Pages>
+  <o:Words>3160</o:Words>
+  <o:Characters>18013</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>120</o:Lines>
-  <o:Paragraphs>34</o:Paragraphs>
-  <o:CharactersWithSpaces>17030</o:CharactersWithSpaces>
+  <o:Lines>150</o:Lines>
+  <o:Paragraphs>42</o:Paragraphs>
+  <o:CharactersWithSpaces>21131</o:CharactersWithSpaces>
   <o:Version>14.0</o:Version>
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@@ -382 +382 @@
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+        mso-font-signature:1 134676480 16 0 131072 0;}
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@@ -520 +520 @@
         {mso-style-noshow:yes;
         mso-style-priority:99;
+        mso-margin-top-alt:auto;
+        margin-right:0in;
+        mso-margin-bottom-alt:auto;
+        margin-left:0in;
+        mso-pagination:widow-orphan;
         font-size:10.0pt;
         font-family:Times;
@@ -717 +722 @@
 </style>
 <![endif]--><!--[if gte mso 9]><xml>
- <o:shapedefaults v:ext="edit" spidmax="1074"/>
+ <o:shapedefaults v:ext="edit" spidmax="1026"/>
 </xml><![endif]--><!--[if gte mso 9]><xml>
  <o:shapelayout v:ext="edit">
@@ -733 +738 @@
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
 
-<p class=MsoNormal>A video version of this tutorial is available at <span
-style='mso-field-code:" HYPERLINK \0022https\:\/\/anl\.box\.com\/v\/FindProfParamCW\0022 \\t \0022_blank\0022 "'><span
-class=MsoHyperlink><b>https://anl.box.com/v/FindProfParamCW</b></span></span></p>
-
-<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
-
-<p class=MsoNormal><span style='font-size:14.0pt'>The goal of this exercise is to
-determine approximate instrument profile parameters by a quick peak fit to a
+<p class=MsoNormal>A video version of the first two parts of this tutorial is
+available at <a href="https://anl.box.com/v/FindProfParamCW"><b>https://anl.box.com/v/FindProfParamCW</b></a></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>The goal of this exercise is
+to determine approximate instrument profile parameters by a quick peak fit to a
 sample with a lab diffractometer. Ideally, one should use a material or mixture
 of materials that has peaks over the entire range where you collect data and
@@ -755 +759 @@
 style='font-size:14.0pt'>Note</span></b><span style='font-size:14.0pt'> that it
 is highly recommended to collect reference data to a much higher 2theta angle
-than here. What is done here serves as an example, and is sufficient only if
-one will never collect and use data above 70 degrees (unlikely!). <o:p></o:p></span></p>
+than here. What is done in this part serves as an example, and is sufficient
+only if one will never collect and use data above 70 degrees (unlikely!). <o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
@@ -774 +778 @@
 mso-layout-grid-align:none;text-autospace:none'><span style='font-size:14.0pt'>Use
 <b style='mso-bidi-font-weight:normal'>Import/Powder Data/from <span
-class=SpellE>Brucker</span> RAW file</b> to read </span><span style='font-size:
+class=SpellE>Bruker</span> RAW file</b> to read </span><span style='font-size:
 14.0pt;font-family:Courier'>file </span><span style='font-size:14.0pt;
 font-family:Courier;mso-bidi-font-family:"Menlo Regular";color:black;
@@ -782 +786 @@
 directory (download from <a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/</a>).
-After selecting this file, answer yes to "Is this the file you want?"<o:p></o:p></span></p>
+After selecting this file, answer yes to &quot;Is this the file you want?&quot;<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
@@ -792 +796 @@
 
 <p class=MsoNormal><span style='font-size:14.0pt'>The next dialog to appear is
-titled, "Choose inst. <span class=SpellE>Param</span> file for LaB6_Jan2018.raw
-Scan 1 (or Cancel for default)" since we do not have a set of parameters to
-read, we must use a default set. <b style='mso-bidi-font-weight:normal'>Press
-Cancel</b>.<o:p></o:p></span></p>
+titled, &quot;Choose inst. <span class=SpellE>Param</span> file for
+LaB6_Jan2018.raw Scan 1 (or Cancel for default)&quot; since we do not have a
+set of parameters to read, we must use a default set. <b style='mso-bidi-font-weight:
+normal'>Press Cancel</b>.<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
@@ -858 +862 @@
 normal'>Click on the Limits</b> data tree item, and either change the <span
 class=SpellE>Tmin</span> value from 10 to 20 or in the plot <b
-style='mso-bidi-font-weight:normal'>"drag" the green line to the right</b> to
-approximately 20 degrees. <o:p></o:p></span></p>
+style='mso-bidi-font-weight:normal'>&quot;drag&quot; the green line to the
+right</b> to approximately 20 degrees. <o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -877 +881 @@
 
 <p class=MsoNormal><span style='font-size:14.0pt'>To define peaks, <b
-style='mso-bidi-font-weight:normal'>click on the "Peak List</b>" data tree item.
-Note that as below, the peak list is initially empty. <o:p></o:p></span></p>
+style='mso-bidi-font-weight:normal'>click on the &quot;Peak List</b>&quot; data
+tree item. Note that as below, the peak list is initially empty. <o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -893 +897 @@
 style='font-size:14.0pt'>Move</span></b><span style='font-size:14.0pt'> the
 mouse to any of the data points close to the <b style='mso-bidi-font-weight:
-normal'>top of the first peak and click </b>the left mouse button. A line will
-be drawn through the peak and the position will be added to the peak table and
-a line marking this is added to the plot, as below. <o:p></o:p></span></p>
+normal'>top of the first peak and click </b>the left mouse button. A line will be
+drawn through the peak and the position will be added to the peak table and a
+line marking this is added to the plot, as below. <o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -910 +914 @@
 style='font-size:14.0pt'>Repeat this for all 8 peaks</span></b><span
 style='font-size:14.0pt'> in the pattern. Note that if a peak is entered in the
-wrong place <span class=GramE>it can be moved by "dragging" it with the mouse</span>,
-or use a right-click to delete it. Be careful to make sure two peaks are not
-entered in the same place by accident<span class=GramE>,.</span><o:p></o:p></span></p>
+wrong place <span class=GramE>it can be moved by &quot;dragging&quot; it with
+the mouse</span>, or use a right-click to delete it. Be careful to make sure
+two peaks are not entered in the same place by accident.<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -988 +992 @@
 style='font-size:14.0pt'><span style="mso-spacerun:yes">&nbsp;</span><o:p></o:p></span></p>
 
-<p class=MsoNormal><span style='font-size:14.0pt'>Select "vary all" and press
-OK. Now all peak positions and areas will be refined.<o:p></o:p></span></p>
+<p class=MsoNormal><span style='font-size:14.0pt'>Select &quot;vary all&quot;
+and press OK. Now all peak positions and areas will be refined.<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -1005 +1009 @@
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
 
-<p class=MsoNormal><span style='font-size:14.0pt'>The fit improves
-significantly, as below, but further improvements are needed. <o:p></o:p></span></p>
+<p class=MsoNormal><span style='font-size:14.0pt'>The fit improves significantly,
+as below, but further improvements are needed. <o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -1018 +1022 @@
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
 
-<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step 7:
-Refine peak areas, heights and widths (optional)<o:p></o:p></span></h3>
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+7: Refine peak areas, heights and widths (optional)<o:p></o:p></span></h3>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
@@ -1128 +1132 @@
 <p class=MsoNormal><span style='font-size:14.0pt'>Note that these U, V &amp; W
 values will be used to set the Gaussian peak widths for those peaks where sigma
-is not being refined and likewise X, Y &amp; Z will be used to determine the
-Lorentzian widths where gamma is not refined for that peak. If we had any peaks
-that were not consistent with the width of the others, we might choose to
-continue to refine their sigma &amp; gamma values so they would not affect U, <span
-class=GramE>V,É,</span> but here we will refine U, V, W, X &amp; Y against all
-peaks. Select the <b style='mso-bidi-font-weight:normal'>Peak List data</b>
-tree item and <b style='mso-bidi-font-weight:normal'>remove refinement of sigma
+is not being refined and likewise X, Y &amp; Z will be used to determine the Lorentzian
+widths where gamma is not refined for that peak. If we had any peaks that were
+not consistent with the width of the others, we might choose to continue to
+refine their individual profile terms (sigma &amp; gamma), if that is done the
+peaks varied individually would be excluded from the U, V, W, X &amp; Y
+refinements. Here we will refine U, V, W, X &amp; Y against all peaks. To do
+this, select the <b style='mso-bidi-font-weight:normal'>Peak List data</b> tree
+item and <b style='mso-bidi-font-weight:normal'>remove refinement of sigma
 &amp; gamma</b> for all peaks by double-clicking on the refine column headers
-for each and select "N &#8211; vary none" so that the table appears as below:<o:p></o:p></span></p>
+for each and select &quot;N &#8211; vary none&quot; so that the table appears
+as below:<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape
@@ -1273 +1279 @@
 <p class=MsoNormal><i style='mso-bidi-font-style:normal'><span
 style='font-size:14.0pt'>These profile terms are more than adequate for most
-structural fitting problems, but it should be noted that these values are not
-sufficient to obtain quantitative measurements of <span class=SpellE>microstrain</span>
+structural fitting problems, but it should be noted that these values are not sufficient
+to obtain quantitative measurements of <span class=SpellE>microstrain</span>
 and/or crystallite size. To obtain even better terms the instrument profile is
 best determined by a Rietveld fit for (with a standard where <span
@@ -1305 +1311 @@
 to the prompt to save the current project (No would not hurt.) As before, <span
 class=GramE>use <b style='mso-bidi-font-weight:normal'>Import/Powder Data/from <span
-class=SpellE>Brucker</span> RAW file</b> to read <span style='font-family:Courier'>file</span></span></span><span
+class=SpellE>Bruker</span> RAW file</b> to read <span style='font-family:Courier'>file</span></span></span><span
 style='font-size:14.0pt;font-family:Courier'> </span><span style='font-size:
 14.0pt;font-family:Courier;mso-bidi-font-family:"Menlo Regular";color:black;
@@ -1313 +1319 @@
 directory (downloaded already from <a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/</a>).
-After selecting this file, answer yes to "Is this the file you want?"<o:p></o:p></span></p>
+After selecting this file, answer yes to &quot;Is this the file you want?&quot;<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
@@ -1323 +1329 @@
 
 <p class=MsoNormal><span style='font-size:14.0pt'>The next dialog to appear is
-titled, "Choose inst. <span class=SpellE>Param</span> file for LaB6_Jan2018.raw
-Scan 1 unlike before, we do have profile terms to read, from the file created
-in Step 10, above. Select the file written before (such as &lt;<span
-class=SpellE><i style='mso-bidi-font-style:normal'>MyInstrument</i></span><i
+titled, &quot;Choose inst. <span class=SpellE>Param</span> file for
+LaB6_Jan2018.raw Scan 1 unlike before, we do have profile terms to read, from
+the file created in Step 10, above. Select the file written before (such as
+&lt;<span class=SpellE><i style='mso-bidi-font-style:normal'>MyInstrument</i></span><i
 style='mso-bidi-font-style:normal'>&gt;</i>20-<span class=GramE>70deg.instparm
 )</span> and <b style='mso-bidi-font-weight:normal'>press OK</b>.<span
@@ -1510 +1516 @@
 style='font-size:14.0pt'><o:p></o:p></span></p>
 
-<p class=MsoNormal><span style='font-size:14.0pt'>Nothing needs to be changed of
-the new parameters added here:<o:p></o:p></span></p>
+<p class=MsoNormal><span style='font-size:14.0pt'>Nothing needs to be changed
+of the new parameters added here:<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
@@ -1674 +1680 @@
 <p class=MsoNormal><span style='font-size:14.0pt'>Use the <b style='mso-bidi-font-weight:
 normal'>Calculate/Refine</b> menu item to start another refinement.<span
-style="mso-spacerun:yes">&nbsp; </span>A warning message that "Steepest
-Descents dominates" this is because a high degree of parameter correlation
+style="mso-spacerun:yes">&nbsp; </span>A warning message that &quot;Steepest
+Descents dominates&quot; this is because a high degree of parameter correlation
 occurs as the reflection intensities change. The fit does not improve very much
 if <b style='mso-bidi-font-weight:normal'>Calculate/Refine</b> is used a second
@@ -1730 +1736 @@
 refinement cycle brings the <span class=SpellE>Rw</span> to circa 5.8%. The fit
 improves dramatically and <span class=SpellE>microstrain</span> refines to a
-non-physical negative value. This is because our somewhat na•ve approach above
+non-physical negative value. This is because our somewhat naive approach above
 assumed no sample broadening. <o:p></o:p></span></p>
 
@@ -1738 +1744 @@
 style='font-size:14.0pt'>This shows why if you are planning to measure <span
 class=SpellE>microstrain</span> and/or crystallite size quantitatively, you
-should determine instrument profile using a Rietveld fit with a standard with known
-values for the <span class=SpellE>microstrain</span> and size. Fix the size and
-<span class=SpellE>microstrain</span> to the known values when fitting the data
-from the standard. <o:p></o:p></span></i></p>
+should determine instrument profile using a Rietveld fit with a standard with
+known values for the <span class=SpellE>microstrain</span> and size. Fix the
+size and <span class=SpellE>microstrain</span> to the known values when fitting
+the data from the standard. <o:p></o:p></span></i></p>
 
 <h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
@@ -1790 +1796 @@
  <v:imagedata src="FindProfParamCW_files/image091.png" o:title=""/>
 </v:shape><![endif]--><![if !vml]><img border=0 width=533 height=397
-src="FindProfParamCW_files/image092.png" v:shapes="Picture_x0020_48"><![endif]></span><span
+src="FindProfParamCW_files/image092.png" v:shapes="Picture_x0020_48"><![endif]><o:p></o:p></span></p>
+
+<h1>Part 3: Fitting data over a wider range<o:p></o:p></h1>
+
+<p class=MsoNormal><o:p>&nbsp;</o:p></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>In this section we fit a
+pattern with a wider range of data. This proceeds quite simply. <o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.1: Start new project and read in data<o:p></o:p></span></h3>
+
+<p class=MsoNormal><o:p>&nbsp;</o:p></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>Restart GSAS-II or use the
+File/New <span class=GramE>Project<span style="mso-spacerun:yes">&nbsp;
+</span>to</span> create a new empty project. <o:p></o:p></span></p>
+
+<p class=MsoNormal style='mso-pagination:none;tab-stops:28.0pt 56.0pt 84.0pt 112.0pt 140.0pt 168.0pt 196.0pt 224.0pt 3.5in 280.0pt 308.0pt 336.0pt;
+mso-layout-grid-align:none;text-autospace:none'><span style='font-size:14.0pt'>Use
+<b style='mso-bidi-font-weight:normal'>Import/Powder Data/from GSAS powder data
+file</b> to read </span><span style='font-size:14.0pt;font-family:Courier'>file
+NIST660CBI.gsas</span><span style='font-size:14.0pt;font-family:"Menlo Regular";
+color:black;mso-fareast-language:EN-US'> </span><span style='font-size:14.0pt'>from
+the Tutorials <span class=SpellE>CWInstDemo</span>/data directory (download
+from <a
+href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/</a>).
+After selecting this file, answer yes to &quot;Is this the file you want?<span
+class=GramE>&quot;.</span> As before, use Cancel to select the default <span
+class=SpellE>CuKa</span> lab data instrument parameters. <o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.2: Change Data Range<o:p></o:p></span></h3>
+
+<p class=MsoNormal><o:p>&nbsp;</o:p></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>Since the background is quite
+curved at lower angles, reducing the angular range to be fit will require fewer
+background terms. Select Limits in the data tree and then set <span
+class=SpellE>Tmin</span> to 20.<span style="mso-spacerun:yes">&nbsp;
+</span>Then select Background in the tree and change the number of background
+parameters to 8. <o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.3: Add Peaks<o:p></o:p></span></h3>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>Select Peak List from the
+tree allows adding peaks. Zooming in on the lower portion of the pattern makes
+it easier to see all the peaks. Be sure to click on magnification icon a second
+time to turn off zoom mode. Then click on a point for each of the 20 peaks in
+the pattern. You should have a plot that looks like this: <o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
+mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1075" type="#_x0000_t75"
+ style='width:375pt;height:330pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="FindProfParamCW_files/image093.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=377 height=332
+src="FindProfParamCW_files/image094.png" v:shapes="_x0000_i1075"><![endif]></span><span
+style='font-size:14.0pt'><o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.3: Fit Peaks<o:p></o:p></span></h3>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>As the peaks are initially
+added to the table, the refine flag is set for the peak intensity. Fit the
+individual peak intensities by using Peak Fitting/<span class=SpellE>Peakfit</span>
+menu command. Provide a file name and the <span class=SpellE>Rwp</span> drops
+to ~40% with a reasonable background level, but not good peak shapes. <o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>Select the Instrument
+Parameter tree item, select the refinement flag for U, V, W, X, Y and SH/L,
+then select the Peak List tree entry again and use the Peak Fitting/<span
+class=SpellE>Peakfit</span> menu command. The fit improves a bit, but since the
+peak positions have not been refined, a good fit is not to be expected. Click
+on the refine column heading to the immediate right of the peak positions, then
+select ÒY &#8211; vary allÓ and again use the Peak Fitting/<span class=SpellE>Peakfit</span>
+menu command. The fit improves significantly with an <span class=SpellE>Rwp</span>
+value of ~8%. The fit shows very small difference plot:<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
+mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1074" type="#_x0000_t75"
+ style='width:348pt;height:247pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="FindProfParamCW_files/image095.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=350 height=249
+src="FindProfParamCW_files/image096.png" v:shapes="_x0000_i1074"><![endif]></span><span
+style='font-size:14.0pt'><span style="mso-spacerun:yes">&nbsp;</span><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>However, pressing the w key
+in the plot window changes the plot appearance and it can be seen that the fit
+at low angle is significantly worse than at high angle. This suggests that log
+angle asymmetry may not be well fit. <o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
+mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1073" type="#_x0000_t75"
+ style='width:338pt;height:232pt;visibility:visible;mso-wrap-style:square'>
+ <v:imagedata src="FindProfParamCW_files/image097.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=340 height=234
+src="FindProfParamCW_files/image098.png" v:shapes="_x0000_i1073"><![endif]></span><span
+style='font-size:14.0pt'><o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>To improve this, we can force
+the SH/L value to be larger. Instead of the local minimum that was found with
+SH/L of ~0.003, we can select the Instrument Parameter tree item and set SH/L
+to a larger value, say 0.03. Then select the Peak List tree entry again and use
+the Peak Fitting/<span class=SpellE>Peakfit</span> menu command. <span
+class=GramE>The<span style="mso-spacerun:yes">&nbsp; </span><span class=SpellE>Rwp</span></span>
+improves somewhat, to circa 5%, but now the difference plot is greatly improved
+at low angle with SH/L increasing to 0.063:<o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
+mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_50" o:spid="_x0000_i1072"
+ type="#_x0000_t75" style='width:344pt;height:241pt;visibility:visible;
+ mso-wrap-style:square'>
+ <v:imagedata src="FindProfParamCW_files/image099.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=243
+src="FindProfParamCW_files/image100.png" v:shapes="Picture_x0020_50"><![endif]></span><span
+style='font-size:14.0pt'><o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.4: Save Instrument Parameters<o:p></o:p></span></h3>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>Select the Instrument
+Parameter tree entry and then use the Operations/Save ProfileÉ menu command to
+write a file. This can be used as the starting point for future refinements.
+The plot shown at this point compares the mostly meaningless default starting
+profile terms (as solid lines) to the fit here (as dashed lines). Using Operations/Load
+ProfileÉ resets the default values to the current refinement parameters, which
+makes for a simpler plot. <o:p></o:p></span></p>
+
+<h3><span style='font-size:14.0pt;mso-bidi-font-family:"Times New Roman"'>Step
+3.5: Compare individual peaks widths to fit profile<o:p></o:p></span></h3>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'>While the Instrument
+Parameter tree entry is selected, turn off refinement of the U, V, W X, and Y refinement
+flags (SH/L can be left to continue to refine) and then select the Peak List
+tree entry. <span style="mso-spacerun:yes">&nbsp;</span>Double-click on the
+refine headings for the sigma and gamma columns to refine the individual peak widths
+and again and use the Peak Fitting/<span class=SpellE>Peakfit</span> menu
+command. The fit quality does not change very significantly, and selecting the Instrument
+Parameter tree entry generates a plot that shows that the individual peak fits
+are quite close to the fitted curves. <o:p></o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US;
+mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_51" o:spid="_x0000_i1071"
+ type="#_x0000_t75" style='width:330pt;height:236pt;visibility:visible;
+ mso-wrap-style:square'>
+ <v:imagedata src="FindProfParamCW_files/image101.png" o:title=""/>
+</v:shape><![endif]--><![if !vml]><img border=0 width=332 height=238
+src="FindProfParamCW_files/image102.png" v:shapes="Picture_x0020_51"><![endif]></span><span
 style='font-size:14.0pt'><o:p></o:p></span></p>
 

Tutorials/CWInstDemo/FindProfParamCW_files/filelist.xml

@@ -94 +94 @@
  <o:File HRef="image091.png"/>
  <o:File HRef="image092.png"/>
+ <o:File HRef="image093.png"/>
+ <o:File HRef="image094.png"/>
+ <o:File HRef="image095.png"/>
+ <o:File HRef="image096.png"/>
+ <o:File HRef="image097.png"/>
+ <o:File HRef="image098.png"/>
+ <o:File HRef="image099.png"/>
+ <o:File HRef="image100.png"/>
+ <o:File HRef="image101.png"/>
+ <o:File HRef="image102.png"/>
  <o:File HRef="filelist.xml"/>
 </xml>

Tutorials/FitPeaks/Fit Peaks.htm

@@ -1722 +1722 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>
-menu item; that it to be used for Rietveld/Pawley refinements. You will be
+menu item; that should used for Rietveld/Pawley refinements. You will be
 asked to save the current project before the fit will proceed; change directory
 if desired and provide a suitable name (we assume <b style='mso-bidi-font-weight:

trunk/GSASIIctrlGUI.py

@@ -5149 +5149 @@
      '''This shows how to determine profile parameters by fitting individual peaks
         with data collected on a standard using a lab diffractometer.'''],
-     
+    ['FPAfit', 'FPAfit.htm',  'Determining Profile Parameters with Fundamental Parameters',
+     '''This shows how to determine profile parameters by fitting 
+     peaks that are computed using the NIST Fundamental Parameters Python
+     code. 
+     Input is formulated to use FPA values similar to those in Topas.'''],      
     ['TOF Calibration', 'Calibration of a TOF powder diffractometer.htm', 'Calibration of a Neutron TOF diffractometer',
      '''This uses the fitted positions of all visible peaks in a pattern of NIST SRM 660b La11B6 

trunk/GSASIImapvars.py

@@ -31 +31 @@
 references 
 to numbered objects are resolved using the appropriate random ids and the
-variable object is expressed as a string of form ``ph:hst:VARNAM:at``.
+parameter object is converted to a string of form ``ph:hst:VARNAM:at``.
 
 Alternate parameters (New Var)
@@ -55 +55 @@
 degree of freedom where parameter Px and Py, etc. are varied to keep 
 their ratio 
-fixed according the expression. A new variable is assigned to each degree of 
+fixed according the expression. A new variable parameter is assigned to each degree of 
 freedom when refined. An example where this can be valuable is when 
 two parameters, P1 and P2, have similar values and are highly correlated. It is often better to create a new variable, Ps = P1 + P2, and refine Ps. 
@@ -81 +81 @@
 a formula, but this can be expanded if needed. 
 
-These equations set an interdependence between variables. 
+These equations set an interdependence between parameters. 
 Common uses of parameter constraints are to set rules that decrease the number of parameters, 
 such as restricting the sum of fractional occupancies for atoms that share 
@@ -154 +154 @@
 ^^^^^^^^^^^^^^^^^^^^^^^^
 
-When variables are refined where a single refinement flag determines that several variables 
+When parameters are refined where a single refinement flag determines that several variables 
 are refined at the same time (examples are: cell parameters, atom positions, anisotropic
 displacement parameters, magnetic moments,...) it can be useful to specify that a 
 specific parameter should not be varied. These will most commonly be generated due to symmetry, 
-but under specific conditions, there may be other good reasons to constrain a variable. 
+but under specific conditions, there may be other good reasons to constrain a parameter. 
 
 A "Hold" constraint is stored as described for type "h" in the 
@@ -361 +361 @@
 
 Rows in the matrix corresponding to "New Var" constraints and those that 
-were generated by the Gram-Schmidt process are provided with variable names
+were generated by the Gram-Schmidt process are provided with parameter names
 (this can be specified if a "New Var" entry by using a ``"_name"`` element
 in the constraint dict, but at present this is not implemented.) Names are 
@@ -488 +488 @@
 
 fixedVarList:
-     a list of variables that have been 'fixed'
+     a list of parameters that have been 'fixed'
      by defining them as equal to a constant (::var: = 0). Note that
-     the constant value is ignored at present. These variables are
+     the constant value is ignored at present. These parameters are
      later removed from varyList which prevents them from being refined. 
      Unlikely to be used externally.
@@ -504 +504 @@
      
 problemVars:
-     a list containing variables that show up in constraints producing errors
+     a list containing parameters that show up in constraints producing errors
 
 
@@ -548 +548 @@
 '''
 fixedVarList = []
-'''List of variables that should not be refined.
+'''List of parameters that should not be refined.
 '''
 symGenList = []
@@ -554 +554 @@
 '''
 problemVars = []
-'''a list of variables causing errors
+'''a list of parameters causing errors
 '''
 dependentVars = []
@@ -561 +561 @@
 'A list of dependent variables, taken from (:data:`indParmList`).'
 genVarLookup = {}
-'provides a list of variables that are related to each generated variable'
+'provides a list of parameters that are related to each generated parameter'
 paramPrefix = "::constr"
 'A prefix for generated parameter names'
@@ -586 +586 @@
 
 def VarKeys(constr):
-    """Finds the keys in a constraint that represent variables
+    """Finds the keys in a constraint that represent parameters
     e.g. eliminates any that start with '_'
 
@@ -687 +687 @@
     # varied, create a warning message.
     for group,varlist in zip(groups,parmlist):
-        if len(varlist) == 1: continue
+        if len(varlist) == 1:   # process fixed (held) variables
+            var = varlist[0]
+            if var not in fixedVarList:
+                fixedVarList.append(var)
+            continue
         for rel in group:
             varied = 0
@@ -694 +698 @@
                 if var.startswith('_'): continue
                 if not re.match('[0-9]*:[0-9\*]*:',var):
-                    warnmsg += "\nVariable "+str(var)+" does not begin with a ':'"
+                    warnmsg += "\nParameter "+str(var)+" does not begin with a ':'"
                 if var in varyList:
                     varied += 1
@@ -705 +709 @@
                     errmsg += _FormatConstraint(constrDict[rel],fixedList[rel])+"\n"
             if varied > 0 and varied != len(VarKeys(constrDict[rel])):
-                warnmsg += "\nNot all variables refined in constraint:\n\t"
+                warnmsg += "\nNot all parameters refined in constraint:\n\t"
                 warnmsg += _FormatConstraint(constrDict[rel],fixedList[rel])
                 warnmsg += '\nNot refined: ' + notvaried + '\n'
@@ -714 +718 @@
     # non-singular square matrix
     for group,varlist in zip(groups,parmlist):
-        if len(varlist) == 1: continue # a constraint group with a single variable can be ignored
+        if len(varlist) == 1: continue # a constraint group with a single parameter can be ignored
         if len(varlist) < len(group): # too many relationships -- no can do
             errmsg += "\nOver-constrained input. "
             errmsg += "There are more constraints " + str(len(group))
-            errmsg += "\n\tthan variables " + str(len(varlist)) + "\n"
+            errmsg += "\n\tthan parameters " + str(len(varlist)) + "\n"
             for rel in group:
                 errmsg += _FormatConstraint(constrDict[rel],fixedList[rel])
@@ -744 +748 @@
         mapvar = []
         group = group[:]
-        # scan through all generated and input variables
-        # Check again for inconsistent variable use
-        # for new variables -- where varied and unvaried parameters get grouped
+        # scan through all generated and input parameters
+        # Check again for inconsistent parameter use
+        # for new parameters -- where varied and unvaried parameters get grouped
         # together. I don't think this can happen when not flagged before, but
         # it does not hurt to check again. 
@@ -764 +768 @@
                 fixedval = None
             if fixedval is None:
-                varname = paramPrefix + str(consNum) # assign a name to a variable
+                varname = paramPrefix + str(consNum) # assign a name to a parameter
                 mapvar.append(varname)
                 consNum += 1
@@ -770 +774 @@
                 mapvar.append(fixedval)
             if varied > 0 and notvaried != '':
-                warnmsg += "\nNot all variables refined in generated constraint"
+                warnmsg += "\nNot all parameters refined in generated constraint"
                 warnmsg += '\nPlease report this unexpected error\n'
                 for rel in group:
@@ -793 +797 @@
     '''Takes a list of relationship entries comprising a group of
     constraints and builds the relationship lists and their inverse
-    and stores them in global variables Also checks for internal
+    and stores them in global parameters Also checks for internal
     conflicts or inconsistencies in parameter/variable definitions.
 
@@ -810 +814 @@
 
     :param int SeqHist: number of current histogram, when used in a sequential
-      refinement. None (default) otherwise. Wildcard variable names are
+      refinement. None (default) otherwise. Wildcard parameter names are
       set to the current histogram, when found if not None.
     '''
@@ -818 +822 @@
     shortmsg = ''
     changed = False
+    
     # Process the equivalences
     #    If there are conflicting parameters, move them into constraints. This
@@ -840 +845 @@
     groups,parmlist = GroupConstraints(constrDict)
     for group,varlist in zip(groups,parmlist):
-        if len(varlist) == 1: continue
+        if len(varlist) == 1:   # process fixed (held) variables
+            var = varlist[0]
+            if var not in fixedVarList:
+                fixedVarList.append(var)
+            continue
         for rel in group:
             varied = 0
@@ -868 +877 @@
             #if unused > 0:# and unused != len(VarKeys(constrDict[rel])):
             if unused > 0 and unused != len(VarKeys(constrDict[rel])):
-                #msg += "\nSome (but not all) variables in constraint are not defined:\n\t"
+                #msg += "\nSome (but not all) parameters in constraint are not defined:\n\t"
                 #msg += _FormatConstraint(constrDict[rel],fixedList[rel])
                 #msg += '\nNot used: ' + notused + '\n'
                 shortmsg += notused+" not used in constraint "+_FormatConstraint(constrDict[rel],fixedList[rel])
             elif varied > 0 and varied != len(VarKeys(constrDict[rel])):
-                #msg += "\nNot all variables refined in constraint:\n\t"
+                #msg += "\nNot all parameters refined in constraint:\n\t"
                 #msg += _FormatConstraint(constrDict[rel],fixedList[rel])
                 #msg += '\nNot refined: ' + notvaried + '\n'
@@ -899 +908 @@
     for group,varlist in zip(groups,parmlist):
         if len(varlist) == 1: continue
-        # for constraints, if all included variables are refined,
+        # for constraints, if all included parameters are refined,
         # set the VaryFree flag, and remaining degrees of freedom will be
-        # varied (since consistency was checked, if any one variable is
+        # varied (since consistency was checked, if any one parameter is
         # refined, then assume that all are)
-        varsList = [] # make a list of all the referenced variables as well
+        varsList = [] # make a list of all the referenced parameters as well
         VaryFree = False
         for rel in group:
@@ -919 +928 @@
             msg = 'too many relationships'
             break
-        # Since we checked before, if any variables are unused, then all must be. 
+        # Since we checked before, if any parameters are unused, then all must be. 
         # If so, this set of relationships can be ignored
         if unused:
-            if debug: print('Constraint ignored (all variables undefined)')
+            if debug: print('Constraint ignored (all parameters undefined)')
             if debug: print ('    '+_FormatConstraint(constrDict[rel],fixedList[rel]))
             continue
@@ -953 +962 @@
                 varname = ''
                 fixedval = None
-            if fixedval is None: # this is a new variable, not a constraint
+            if fixedval is None: # this is a new parameter, not a constraint
                 if not varname:
                     varname = paramPrefix + str(consNum) # no assigned name, create one
                     consNum += 1
                 mapvar.append(varname)
-                genVarLookup[varname] = varlist # save list of variables related to this new var
+                genVarLookup[varname] = varlist # save list of parameters related to this new var
                 # vary the new relationship if it is a degree of freedom in
                 # a set of contraint equations or if a New Var is flagged to be varied.
@@ -964 +973 @@
                     unused = False
                     varyList.append(varname)
-                    # fix (prevent varying) of all the variables inside the constraint group
+                    # fix (prevent varying) of all the parameters inside the constraint group
                     # (dependent vars)
                     for var in varsList:
@@ -971 +980 @@
                 unused = False
                 mapvar.append(fixedval)
-        if unused: # skip over constraints that don't matter (w/o fixed value or any refined variables)
-            if debug: print('Constraint ignored (all variables unrefined)')
+        if unused: # skip over constraints that don't matter (w/o fixed value or any refined parameters)
+            if debug: print('Constraint ignored (all parameters unrefined)')
             if debug: print ('   '+_FormatConstraint(constrDict[rel],fixedList[rel]))
             continue 
@@ -1132 +1141 @@
     errmsg = ''
     problemVars = []
-    # process fixed variables (holds)
+    # process fixed parameters (holds)
     fixVlist = [] # list of Fixed vars 
     constrVars = [] # list of vars in constraint expressions
@@ -1148 +1157 @@
     multdepVarList = []
     dropVarList = []
-    translateTable = {} # lookup table for wildcard referenced variables
+    translateTable = {} # lookup table for wildcard referenced parameters
     for varlist,mapvars,multarr,invmultarr in zip(
         dependentParmList,indParmList,arrayList,invarrayList):
@@ -1168 +1177 @@
                     notvaried += mv
                 if parmDict is not None and mv not in parmDict:
-                    print ("Dropping equivalence for variable "+str(mv)+". Not defined in this refinement")
+                    print ("Dropping equivalence for parameter "+str(mv)+". Not defined in this refinement")
                     if mv not in dropVarList: dropVarList.append(mv)
                 if mv not in indepVarList: indepVarList.append(mv)
@@ -1188 +1197 @@
                     notvaried += v
                 if v in indepVarList:
-                    errmsg += '\nVariable '+v+' is used to set values in a constraint before its value is set in another constraint\n'
+                    errmsg += '\nParameter '+v+' is used to set values in a constraint before its value is set in another constraint\n'
                     if v not in problemVars: problemVars.append(v)
                 if v in depVarList:
@@ -1195 +1204 @@
                     depVarList.append(v)
             if varied > 0 and varied != len(varlist)+1:
-                warnmsg += "\nNot all variables refined in equivalence:\n\t"
+                warnmsg += "\nNot all parameters refined in equivalence:\n\t"
                 s = ""
                 for v in varlist:
@@ -1380 +1389 @@
 
 def GetDependentVars():
-    '''Return a list of dependent variables: e.g. variables that are
-    constrained in terms of other variables
-
-    :returns: a list of variable names
+    '''Return a list of dependent variables: e.g. parameters that are
+    constrained in terms of other parameters
+
+    :returns: a list of parameter names
 
     '''
@@ -1390 +1399 @@
 
 def GetIndependentVars():
-    '''Return a list of independent variables: e.g. variables that are
-    created by constraints of other variables
-
-    :returns: a list of variable names
+    '''Return a list of independent variables: e.g. parameters that are
+    slaved to other parameters by constraints
+
+    :returns: a list of parameter names
 
     '''
@@ -1400 +1409 @@
 
 def PrintIndependentVars(parmDict,varyList,sigDict,PrintAll=False,pFile=None):
-    '''Print the values and uncertainties on the independent variables'''
+    '''Print the values and uncertainties on the independent parameters'''
     global dependentParmList,arrayList,invarrayList,indParmList,fixedDict
     printlist = []
@@ -1414 +1423 @@
     s3 = ''
     pFile.write(130*'-'+'\n')
-    pFile.write("Variables generated by constraints\n")
+    pFile.write("Parameters generated by constraints\n")
     printlist.append(3*[None])
     for name,val,esd in printlist:
@@ -1493 +1502 @@
     s = ''
     if len(fixedVarList) > 0:
-        s += 'Fixed Variables:\n'
+        s += 'Fixed Parameters:\n'
         for v in fixedVarList:
             s += '    ' + v + '\n'
     if not inputOnly:
-        s += 'User-supplied variable mapping relations:\n'
+        s += 'User-supplied parameter mapping relations:\n'
     symout = ''
     global dependentParmList,arrayList,invarrayList,indParmList,fixedDict,symGenList
@@ -1536 +1545 @@
         s += 'Symmetry-generated relations:\n' + symout
     if inputOnly: return s
-    s += 'Inverse variable mapping relations:\n'
+    s += 'Inverse parameter mapping relations:\n'
     for varlist,mapvars,invmultarr in zip(dependentParmList,indParmList,invarrayList):
         for i,mv in enumerate(varlist):
@@ -1603 +1612 @@
     for varlist,mapvars,multarr,invmultarr in zip(dependentParmList,indParmList,arrayList,invarrayList):
         for i,name in enumerate(mapvars):
-            # grouped variables: need to add in the derv. w/r
+            # grouped parameters: need to add in the derv. w/r
             # dependent variables to the independent ones
             if name not in varyList: continue # skip if independent var not varied
@@ -1628 +1637 @@
     defined using :func:`StoreEquivalence`,
     :func:`GroupConstraints` and :func:`GenerateConstraints` and
-    before any variable refinement is done. This completes the parameter
+    before any parameter refinement is done. This completes the parameter
     dictionary by defining independent parameters and it satisfies the
     constraint equations in the initial parameters
@@ -1657 +1666 @@
                             np.dot(multarr,np.array(valuelist)))
                         )
-    # now remove fixed variables from the varyList
+    # now remove fixed parameters from the varyList
     global fixedVarList
     for item in fixedVarList:

trunk/help/Tutorials.html

@@ -59 +59 @@
  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-IV/data">Exercise files</A>].
 <blockquote><I>Analysis of a Type IV antiferromagnet with a lattice centering change using Bilbao k-SUBGROUPSMAG from CW neutron powder data</I></blockquote>
+<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/Magnetic-V.htm">Magnetic Structure Analysis-V</A>
+ [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Magnetic-V/data">Exercise files</A>].
+<blockquote><I>Analysis of a complex Type IV antiferromagnet with two propagation vectorse using Bilbao k-SUBGROUPSMAG from TOF neutron powder data</I></blockquote>
 </UL><h4>Parametric sequential fitting</H4><UL>
 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A>
@@ -114 +117 @@
 <blockquote><I>This shows how to determine profile parameters by fitting individual peaks
         with data collected on a standard using a lab diffractometer.</I></blockquote>
+<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FPAfit/FPAfit.htm">Determining Profile Parameters with Fundamental Parameters</A>
+ [no example data or video].
+<blockquote><I>This shows how to determine profile parameters by fitting 
+     peaks that are computed using the NIST Fundamental Parameters Python
+     code. 
+     Input is formulated to use FPA values similar to those in Topas.</I></blockquote>
 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm">Calibration of a Neutron TOF diffractometer</A>
  [links: <A href="https://anl.box.com/v/CalibrationofaTOFpowderdiffrac">video</A>, <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/data">Exercise files</A>].