Changeset 5257 for trunk/help/gsasII-phase.html

Timestamp:

Apr 1, 2022 8:14:22 AM (3 years ago)

Author:

vondreele

Message:

Add '?' to various places & all connect to help pages with text filled in.
Remove Pawley popup - interfered with operation & caused crashes.

File:

• trunk/help/gsasII-phase.html (modified) (132 diffs)

trunk/help/gsasII-phase.html ¶

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
-  <o:Revision>43</o:Revision>
-  <o:TotalTime>7209</o:TotalTime>
+  <o:Revision>48</o:Revision>
+  <o:TotalTime>7295</o:TotalTime>
   <o:Created>2021-06-20T02:30:00Z</o:Created>
-  <o:LastSaved>2022-03-24T14:35:00Z</o:LastSaved>
+  <o:LastSaved>2022-03-31T21:35:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
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-  <o:Characters>58786</o:Characters>
+  <o:Words>10342</o:Words>
+  <o:Characters>58951</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
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@@ -49 +49 @@
  <w:WordDocument>
   <w:Zoom>148</w:Zoom>
-  <w:SpellingState>Clean</w:SpellingState>
-  <w:GrammarState>Clean</w:GrammarState>
   <w:TrackMoves>false</w:TrackMoves>
   <w:TrackFormatting/>
@@ -953 +951 @@
         mso-font-kerning:14.0pt;}
 a:link, span.MsoHyperlink
-        {mso-style-priority:99;
+        {mso-style-noshow:yes;
+        mso-style-priority:99;
         color:blue;
         text-decoration:underline;
@@ -1307 +1306 @@
         font-family:"Times New Roman",serif;
         mso-fareast-font-family:"Times New Roman";}
-span.SpellE
-        {mso-style-name:"";
-        mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1876 +1869 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-is where to find help on the Phase Tree items in GSAS-II. Note that the window
-displayed for this page has multiple tabs. The help information is broken down
-by tab section. <o:p></o:p></span></p>
+is where to find help on the Phase Tree items in GSAS-II. Note that the window displayed
+for this page has multiple tabs. The help information is broken down by tab
+section. <o:p></o:p></span></p>
 
 <h2 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -1902 +1895 @@
 phase. It also has the controls for Pawley intensity extraction and for
 computing Fourier maps for this phase. It can also has the controls for Monte
-Carlo/Simulated Annealing for solving structures with flexible rigid molecular <span
-class=GramE>bodies..</span> <span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+Carlo/Simulated Annealing for solving structures with flexible rigid molecular
+bodies.. <span class=MsoHyperlink><span style='color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -1943 +1936 @@
 style='mso-fareast-font-family:"Times New Roman"'>This performs a charge
 flipping <i style='mso-bidi-font-style:normal'>ab initio</i> structure solution
-using the method of <span class=SpellE>Oszlanyi</span> &amp; <span
-class=SpellE>Suto</span> (Acta <span class=SpellE>Cryst</span>. A60, 134-141,
-2004). You will need to select a source for the reflection set and perhaps
-select an element for normalization by its form factor, a resolution limit
-(usually 0.5</span><span style='font-family:"Calibri",sans-serif;mso-fareast-font-family:
-"Times New Roman"'>Å</span><span style='mso-fareast-font-family:"Times New Roman"'>)
-and a charge flip threshold (usually 0.1); these are found near the bottom of
-the <b style='mso-bidi-font-weight:normal'>General</b> window. There are also
-Test HKLs to show the progress in phasing with charge flipping cycles. They
-show the generally chaotic phase behavior before a solution is found; after
-that the phases are essentially fixed. No use is made of this information; it
-is just for your edification. A progress bar showing the charge flip residual
-is shown while the charge flip is in operation. When the residual is no longer
-decreasing (be patient – it doesn’t necessarily fall continuously), press the <b
-style='mso-bidi-font-weight:normal'>Cancel</b> button to stop the charge
-flipping, otherwise it will stop at 10000 cycles. The resulting map will be
-positioned to properly place symmetry operators (NB: depends on the quality of
-the resulting phases; the map could be still offset by a few steps), searched
-for peaks and the display shifts to <b style='mso-bidi-font-weight:normal'>Map
-peaks</b> to show them.<b><o:p></o:p></b></span></p>
+using the method of Oszlanyi &amp; Suto (Acta Cryst. A60, 134-141, 2004). You
+will need to select a source for the reflection set and perhaps select an
+element for normalization by its form factor, a resolution limit (usually 0.5</span><span
+style='font-family:"Calibri",sans-serif;mso-fareast-font-family:"Times New Roman"'>Å</span><span
+style='mso-fareast-font-family:"Times New Roman"'>) and a charge flip threshold
+(usually 0.1); these are found near the bottom of the <b style='mso-bidi-font-weight:
+normal'>General</b> window. There are also Test HKLs to show the progress in
+phasing with charge flipping cycles. They show the generally chaotic phase
+behavior before a solution is found; after that the phases are essentially
+fixed. No use is made of this information; it is just for your edification. A
+progress bar showing the charge flip residual is shown while the charge flip is
+in operation. When the residual is no longer decreasing (be patient – it
+doesn’t necessarily fall continuously), press the <b style='mso-bidi-font-weight:
+normal'>Cancel</b> button to stop the charge flipping, otherwise it will stop
+at 10000 cycles. The resulting map will be positioned to properly place
+symmetry operators (NB: depends on the quality of the resulting phases; the map
+could be still offset by a few steps), searched for peaks and the display
+shifts to <b style='mso-bidi-font-weight:normal'>Map peaks</b> to show them.<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2004 +1995 @@
 style='mso-fareast-font-family:"Times New Roman"'>Transform </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>- This allows for a change in
-axes, <span class=GramE>symmetry</span> or unit cell. It is also used to create
-a magnetic phase from a chemical (nuclear) phase. One important transformation
-that can be done here is for Origin 1 settings to Origin 2 (<a
-href="#_Origin_1_-&gt;">described below</a>).<b><o:p></o:p></b></span></p>
+axes, symmetry or unit cell. It is also used to create a magnetic phase from a
+chemical (nuclear) phase. One important transformation that can be done here is
+for Origin 1 settings to Origin 2 (<a href="#_Origin_1_-&gt;">described below</a>).<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2015 +2005 @@
 </span></span></span><![endif]><b><span style='mso-fareast-font-family:"Times New Roman"'>Compare
 – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>Compares
-idealized <span class=SpellE>polyhedra</span> (tetrahedron &amp; octahedron) to
-those obtained from a Reverse Monte Carlo run in RMCProfile.<b><o:p></o:p></b></span></p>
+idealized polyhedra (tetrahedron &amp; octahedron) to those obtained from a
+Reverse Monte Carlo run in RMCProfile.<b><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2036 +2026 @@
 style='mso-fareast-font-family:"Times New Roman"'>Protein quality</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – evaluate protein quality
-by python versions of <span class=SpellE>errat</span> &amp; errat2 codes by <span
-class=SpellE>Colovos</span>, C. &amp; <span class=SpellE>Yeates</span>, T.O. Protein
-Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
+by python versions of errat &amp; errat2 codes by Colovos, C. &amp; Yeates,
+T.O. Protein Science 2, 1511-1519 (1991).<b><o:p></o:p></b></span></p>
 
 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
@@ -2062 +2051 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Phase name</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – this is the name assigned
-to this phase. It can be changed at any time.<span class=MsoHyperlink><span
+style='mso-fareast-font-family:"Times New Roman"'> – this is the name assigned to
+this phase. It can be changed at any time.<span class=MsoHyperlink><span
 style='color:windowtext'><o:p></o:p></span></span></span></p>
 
@@ -2087 +2076 @@
 the phase is initialized; it can be changed later. Be careful about the impact
 on Atom site symmetry and multiplicity if you do. GSAS-II will recognize any
-legal space group symbol using the short Hermann-<span class=SpellE>Mauguin</span>
-forms; put a space between the axial fields (<span class=GramE>e.g.</span> ‘F d
-3 m’ not ‘Fd3m’; ‘F d 3 m’ is understood as well as ‘F d -3 m’). For space
-groups with a choice of origin (<span class=GramE>e.g.</span> F d 3 m), GSAS-II
-always uses the 2<sup>nd</sup> setting where the center of inversion is located
-at the origin. The choice of space group will set the available unit cell
-parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+legal space group symbol using the short Hermann-Mauguin forms; put a space
+between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’; ‘F d 3 m’ is understood as
+well as ‘F d -3 m’). For space groups with a choice of origin (e.g. F d 3 m),
+GSAS-II always uses the 2<sup>nd</sup> setting where the center of inversion is
+located at the origin. The choice of space group will set the available unit
+cell parameters.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2198 +2186 @@
  <v:imagedata src="gsasII-phase_files/image001.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=335 height=19
-src="gsasII-phase_files/image049.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
+src="gsasII-phase_files/image002.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
 <span style='font-family:"Cambria Math",serif;mso-fareast-font-family:"Times New Roman";
 mso-bidi-font-style:italic'>A0-A5 correspond to the reciprocal metric tensor
@@ -2224 +2212 @@
 table is shown next on the General page; you may select the isotope (only
 relevant for neutron diffraction experiments). The density (just above the
-Elements) is computed depending on this choice, the unit cell volume and the
-atom fractions/site multiplicities in the entries on the Atoms page.<span
+Elements) is computed depending on this choice, the unit cell volume and the atom
+fractions/site multiplicities in the entries on the Atoms page.<span
 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
@@ -2257 +2245 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Pawley
-<span class=SpellE>dmin</span></span></b><span style='mso-fareast-font-family:
-"Times New Roman"'> – This is the minimum d-spacing to be used in a Pawley
-refinement. <b style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this
-to match the minimum d-spacing indicated by the powder pattern limits (see <b
+dmin</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – This
+is the minimum d-spacing to be used in a Pawley refinement. <b
+style='mso-bidi-font-weight:normal'>NB:</b> be sure to set this to match the
+minimum d-spacing indicated by the powder pattern limits (see <b
 style='mso-bidi-font-weight:normal'>Limits</b> for the powder data set).</span></p>
 
@@ -2269 +2257 @@
 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
-style='mso-fareast-font-family:"Times New Roman"'>Pawley <span class=SpellE>dmax</span></span></b><span
+style='mso-fareast-font-family:"Times New Roman"'>Pawley dmax</span></b><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
 This is the maximum d-spacing for reflections in a Pawley refinement. It is
@@ -2284 +2272 @@
 style='mso-fareast-font-family:"Times New Roman"'>Pawley neg. wt.</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – This is the weight for a
-penalty function applied during a Pawley refinement on resulting negative intensities.
-Use with caution; initially try very small values (<span class=GramE>e.g.</span>
-.01). A value of zero means no penalty is applied.<span class=MsoHyperlink><span
+penalty function applied during a Pawley refinement on resulting negative
+intensities. Use with caution; initially try very small values (e.g. .01). A
+value of zero means no penalty is applied.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
@@ -2295 +2283 @@
 style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><span style='mso-fareast-font-family:
-"Times New Roman"'>Fourier map controls are shown next on the General page.
-Single crystal data or a completed Rietveld or Pawley refinement is required
-before a Fourier map can be computed. Select the desired type of map, the
-source of the reflection set and the map resolution desired. The peak cutoff is
-defined as a percentage of the maximum and defines the lowest level considered
-in the peak search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+"Times New Roman"'>Fourier map controls are shown next on the General page. Single
+crystal data or a completed Rietveld or Pawley refinement is required before a
+Fourier map can be computed. Select the desired type of map, the source of the
+reflection set and the map resolution desired. The peak cutoff is defined as a
+percentage of the maximum and defines the lowest level considered in the peak
+search.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
@@ -2319 +2307 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Reflection sets </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is the source of structure
-factors to be used in a charge flip calculation. These may be either a single
-crystal data set, or structure factors extracted from a powder pattern via a
-Pawley or LeBail refinement or a Rietveld refinement.<span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>– This is the source of
+structure factors to be used in a charge flip calculation. These may be either
+a single crystal data set, or structure factors extracted from a powder pattern
+via a Pawley or LeBail refinement or a Rietveld refinement.<span
+class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
+text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2332 +2321 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>– This is an element form
-factor chosen to normalize the structure factors before charge flipping. <b
+style='mso-fareast-font-family:"Times New Roman"'>– This is an element form factor
+chosen to normalize the structure factors before charge flipping. <b
 style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from
 the lower right of the Periodic Table display shown when this is selected.<span
@@ -2379 +2368 @@
 style='mso-fareast-font-family:"Times New Roman"'>Test HKLs</span></b><span
 style='mso-fareast-font-family:"Times New Roman";mso-bidi-font-weight:bold'> –
-plot of phases for selected <span class=SpellE>hkls</span> are shown at end of
-charge flipping run. Just for you to look at.</span><span style='mso-fareast-font-family:
-"Times New Roman"'><o:p></o:p></span></p>
+plot of phases for selected hkls are shown at end of charge flipping run. Just
+for you to look at.</span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:73.2pt;mso-add-space:
@@ -2398 +2386 @@
 This is the source of structure factors to be used in a charge flip
 calculation. These may be either a single crystal data set, or structure
-factors extracted from a powder pattern via a Pawley or <span class=SpellE>Lebail</span>
-refinement or a Rietveld refinement.<o:p></o:p></span></p>
+factors extracted from a powder pattern via a Pawley or Lebail refinement or a
+Rietveld refinement.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:121.5pt;mso-add-space:
@@ -2469 +2457 @@
 point in the structure does not contain a center of symmetry. Origin 1 places
 the origin at the highest symmetry setting while Origin 2 places the origin at
-a center of symmetry (creating a -<span class=GramE>x,-</span>y,-z symmetry
-operator, which means that reflection phases can only be 0 or π.) GSAS-II
-requires use of the Origin 2 settings because computations are much faster and
-simpler without complex structure factors. Alas, the literature contains <span
-class=GramE>a number of</span> structures reported in Origin 1, where the
-origin choice may not be clearly communicated. (The CIF standard does not
-require that origin choice be indicated.) When a structure is imported that
-uses any of the space groups where an origin choice is possible, a message is
-shown in GSAS-II notifying the user that they must confirm that the origin
-choice is correct and then provides the opportunity to change origins. <o:p></o:p></span></p>
+a center of symmetry (creating a -x,-y,-z symmetry operator, which means that
+reflection phases can only be 0 or π.) GSAS-II requires use of the Origin 2
+settings because computations are much faster and simpler without complex structure
+factors. Alas, the literature contains a number of structures reported in
+Origin 1, where the origin choice may not be clearly communicated. (The CIF
+standard does not require that origin choice be indicated.) When a structure is
+imported that uses any of the space groups where an origin choice is possible,
+a message is shown in GSAS-II notifying the user that they must confirm that
+the origin choice is correct and then provides the opportunity to change
+origins. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2506 +2494 @@
  <tr style='mso-yfti-irow:2'>
   <td style='padding:.75pt .75pt .75pt .75pt'>
-  <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
-  "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
   </td>
   <td style='padding:.75pt .75pt .75pt .75pt'>
@@ -2560 +2547 @@
  <tr style='mso-yfti-irow:2'>
   <td style='padding:.75pt .75pt .75pt .75pt'>
-  <p class=MsoNormal><span class=SpellE><span style='mso-fareast-font-family:
-  "Times New Roman"'>Ti</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
+  <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Ti<o:p></o:p></span></p>
   </td>
   <td style='padding:.75pt .75pt .75pt .75pt'>
@@ -2591 +2577 @@
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman";color:white;mso-color-alt:
-windowtext'>where the origin is shifted by (0,1/</span><span class=GramE><span
-style='mso-fareast-font-family:"Times New Roman"'>4,-</span></span><span
-style='mso-fareast-font-family:"Times New Roman"'>1/8). <o:p></o:p></span></p>
+windowtext'>where the origin is shifted by (0,1/4,-1/8). </span><span
+style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
@@ -2609 +2594 @@
 </v:shape><![endif]--><![if !vml]><img width=322 height=190
 src="gsasII_files/wrong.png" align=right v:shapes="Picture_x0020_3"><![endif]><span
-style='mso-fareast-font-family:"Times New Roman"'>GSAS-II always uses the symmetry
-operators for Origin 2; if the structure is input incorrectly with the
-coordinates set for Origin 1, there are several <span class=GramE>fairly
-obvious</span> signs of problems: (1) the site symmetries and multiplicities
-are wrong, often giving an incorrect chemical formula, (2) the interatomic
-distances are incorrect, and (3) a plot of the structure is improbable. In this
-case incorrect multiplicities gives rise to a density of 7.9 g/cc, double the
-correct value. Impossible interatomic distances of 1.88Å for <span
-class=SpellE><span class=GramE>Ti-Ti</span></span>, and 1.39Å for <span
-class=SpellE>Ti</span>-O are seen. The unit cell contents with the wrong space
-group operators <span class=GramE>is</span> shown to the right. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>GSAS-II always uses the
+symmetry operators for Origin 2; if the structure is input incorrectly with the
+coordinates set for Origin 1, there are several fairly obvious signs of
+problems: (1) the site symmetries and multiplicities are wrong, often giving an
+incorrect chemical formula, (2) the interatomic distances are incorrect, and
+(3) a plot of the structure is improbable. In this case incorrect
+multiplicities gives rise to a density of 7.9 g/cc, double the correct value.
+Impossible interatomic distances of 1.88Å for Ti-Ti, and 1.39Å for Ti-O are
+seen. The unit cell contents with the wrong space group operators is shown to
+the right. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>With coordinates that match
-the space group operations, the correct <span class=SpellE>Ti</span>-O
-distances are 1.92Å and 1.97Å and the shortest <span class=SpellE>Ti-Ti</span>
-distance is 3.0Å. (Note that interatomic distances can be computed in GSAS-II
-using the Phase Atoms tab and the Compute/&quot;Show Distances &amp;
-Angles&quot; menu item.) <o:p></o:p></span></p>
+the space group operations, the correct Ti-O distances are 1.92Å and 1.97Å and
+the shortest Ti-Ti distance is 3.0Å. (Note that interatomic distances can be
+computed in GSAS-II using the Phase Atoms tab and the Compute/&quot;Show
+Distances &amp; Angles&quot; menu item.) <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><!--[if gte vml 1]><v:shape
@@ -2672 +2655 @@
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
 HAP parameters include: the phase fraction; the sample contributions to peak
-broadening: <span class=SpellE>microstrain</span> and crystallite size; a
-LeBail intensity extraction flag; hydrostatic/elastic strain shifts to lattice
-parameters; corrections to peak intensities due to experimental effects
-(preferred orientation, <span class=GramE>extinction</span> and disordered
-solvents).</p>
+broadening: microstrain and crystallite size; a LeBail intensity extraction
+flag; hydrostatic/elastic strain shifts to lattice parameters; corrections to
+peak intensities due to experimental effects (preferred orientation, extinction
+and disordered solvents).</p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>For
-single crystal data, the only parameters are scale, <span class=GramE>extinction</span>
-and disordered solvent. There is no Sample Parameters histogram scale factor.</p>
+single crystal data, the only parameters are scale, extinction and disordered
+solvent. There is no Sample Parameters histogram scale factor.</p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2722 +2704 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal <span
-class=GramE>data:</span> relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>Used for single crystal data:
+relates F<sup>2</sup><sub>obs</sub> to F<sup>2</sup><sub>calc</sub>.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2731 +2713 @@
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>is computed from size
-factor(s) in microns (<span class=SpellE>μm</span> = 10<sup>-6</sup> m), with
-the Scherrer constant assumed as unity. Sizes can be computed in three ways:
-isotropic, <span class=GramE>uniaxial</span> and ellipsoidal. In isotropic
-broadening, crystallites are assumed to average as uniform in all directions
-and a single size value is supplied; with uniaxial broadening, a preferred
-direction (as a crystallographic axis, such as 0,0,1 is supplied) -- note that
-for most crystal systems only one axis makes sense -- and two size parameters
-are defined, one for along the axis and one for in the perpendicular plane;
-with ellipsoidal, six terms are used to define a broadening tensor that has
-arbitrary orientation -- this model may require constraints and is seldom
-needed. Note that size broadening is usually Lorentzian, which corresponds to a
-<span class=SpellE>LGmix</span> value of 1.0; if this value is between 0. and
-1., both Gaussian and Lorentz size broadening is modeled and a value of 0.0 is
-pure Gaussian. Values less than 0. or greater than 1. make no physical sense.
-Typical sensitivity is to no more than 4 <span class=SpellE>μm</span>; beyond
-that the particles are effectively infinite for a diffraction experiment.<o:p></o:p></span></p>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=SpellE><b><span style='mso-fareast-font-family:"Times New Roman"'>Microstrain</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> peak broadening </span></b><span
+factor(s) in microns (μm = 10<sup>-6</sup> m), with the Scherrer constant
+assumed as unity. Sizes can be computed in three ways: isotropic, uniaxial and
+ellipsoidal. In isotropic broadening, crystallites are assumed to average as
+uniform in all directions and a single size value is supplied; with uniaxial
+broadening, a preferred direction (as a crystallographic axis, such as 0,0,1 is
+supplied) -- note that for most crystal systems only one axis makes sense --
+and two size parameters are defined, one for along the axis and one for in the
+perpendicular plane; with ellipsoidal, six terms are used to define a
+broadening tensor that has arbitrary orientation -- this model may require
+constraints and is seldom needed. Note that size broadening is usually
+Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
+0. and 1., both Gaussian and Lorentz size broadening is modeled and a value of
+0.0 is pure Gaussian. Values less than 0. or greater than 1. make no physical sense.
+Typical sensitivity is to no more than 4 μm; beyond that the particles are
+effectively infinite for a diffraction experiment.<o:p></o:p></span></p>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
+style='mso-fareast-font-family:"Times New Roman"'>Microstrain peak broadening </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>is computed as unitless
-fraction of <span class=SpellE>Δd</span>/d (or equivalently ΔQ/Q) times 10<sup>6</sup>.
-<span class=SpellE>Microstrain</span> can be represented in three ways:
-isotropic, <span class=GramE>uniaxial</span> and generalized. In isotropic
-broadening, <span class=SpellE>microstrain</span> broadening assumed to be the
-same in all crystallographic directions and a single value is supplied; with
-uniaxial broadening, a preferred direction (as a crystallographic axis, such as
-0,0,1) is supplied -- note that for most crystal systems only one axis makes
-sense -- and two <span class=SpellE>microstrain</span> parameters are defined,
-one for along the axis and one for in the perpendicular plane; with
-generalized, the Nicole Popa/Peter Stephens second-order expansion model is
-used and the number of terms will depend on the crystal system. It is typically
-possible to refine all terms when significant anisotropic strain broadening is
-present. Note that <span class=SpellE>microstrain</span> broadening is usually
-Lorentzian, which corresponds to a <span class=SpellE>LGmix</span> value of
-1.0; if this value is between 0. and 1., both Gaussian and Lorentz broadening
-is modeled and a value of 0.0 is pure Gaussian. Values less than 0. or greater
-than 1. make no physical sense. Typical <span class=SpellE>microstrain</span>
-is ~1000.<o:p></o:p></span></p>
+fraction of Δd/d (or equivalently ΔQ/Q) times 10<sup>6</sup>. Microstrain can
+be represented in three ways: isotropic, uniaxial and generalized. In isotropic
+broadening, microstrain broadening assumed to be the same in all
+crystallographic directions and a single value is supplied; with uniaxial
+broadening, a preferred direction (as a crystallographic axis, such as 0,0,1)
+is supplied -- note that for most crystal systems only one axis makes sense --
+and two microstrain parameters are defined, one for along the axis and one for
+in the perpendicular plane; with generalized, the Nicole Popa/Peter Stephens
+second-order expansion model is used and the number of terms will depend on the
+crystal system. It is typically possible to refine all terms when significant
+anisotropic strain broadening is present. Note that microstrain broadening is usually
+Lorentzian, which corresponds to a LGmix value of 1.0; if this value is between
+0. and 1., both Gaussian and Lorentz broadening is modeled and a value of 0.0
+is pure Gaussian. Values less than 0. or greater than 1. make no physical
+sense. Typical microstrain is ~1000.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2798 +2775 @@
 model is possible with the &quot;<u><span style='color:blue'><a href="#Texture">Texture</a></span></u>&quot;
 tab (which usually requires multiple histograms at different sample
-orientations or detector settings). The approaches available here are March-<span
-class=SpellE>Dollase</span>, which requires a definition of a unique axis (in
+orientations or detector settings). The approaches available here are
+March-Dollase, which requires a definition of a unique axis (in
 crystallographic coordinates) and the relative amount of excess or depletion of
 crystallites in that direction; or Spherical Harmonics, where the selection of
@@ -2819 +2796 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – <span
-class=SpellE>Babinet</span> A &amp; B</span></b><span style='mso-fareast-font-family:
-"Times New Roman"'><o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>Disordered solvent – Babinet
+A &amp; B</span></b><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-fareast-font-family:"Times New Roman"'>This correction, using the <span
-class=SpellE>Babinet</span> model, is typically used to treat scattering from
-solvent that is not well-ordered in protein structures. It probably makes no
-sense in most any other application. <o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>This correction, using the
+Babinet model, is typically used to treat scattering from solvent that is not
+well-ordered in protein structures. It probably makes no sense in most any
+other application. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><b><span
@@ -2853 +2829 @@
 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]><span
-style='mso-fareast-font-family:"Times New Roman"'>The plot selection items allow
-for three dimensional representations of the <span class=SpellE>microstrain</span>
-or crystallite size distributions (which are spheres for isotropic treatments);
-preferred orientation can be plotted as a Psi scan (a plot of relative
-crystallite abundance for a particular reflection as a function of azimuthal
-angle) or as an inverse pole figure (which shows a stereographic projection of
-the probability distribution for different reciprocal lattice directions as
-viewed down the sample cylinder axis). For no texture/preferred orientation
-this figure would be flat = 1.0.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>The plot selection items
+allow for three dimensional representations of the microstrain or crystallite
+size distributions (which are spheres for isotropic treatments); preferred
+orientation can be plotted as a Psi scan (a plot of relative crystallite abundance
+for a particular reflection as a function of azimuthal angle) or as an inverse
+pole figure (which shows a stereographic projection of the probability
+distribution for different reciprocal lattice directions as viewed down the
+sample cylinder axis). For no texture/preferred orientation this figure would
+be flat = 1.0.<o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -2942 +2918 @@
 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Double
-left <span class=GramE>click</span> a Type column heading</b>: a dialog box is
-shown that allows you to select all atoms with that type. <span
-class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></p>
+left click a Type column heading</b>: a dialog box is shown that allows you to
+select all atoms with that type. <span class=MsoHyperlink><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2968 +2944 @@
 the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
 style='mso-bidi-font-weight:normal'>Shift</b> &amp; <b style='mso-bidi-font-weight:
-normal'>Ctrl</b> allow selection of multiple <span class=GramE>cells</span> but
-no use is made of them). An individual data item can be cut/pasted anywhere
-including from/to another document. Bad entries are rejected (yellow
-background). If any entry is changed, press <b style='mso-bidi-font-weight:
-normal'>Enter</b> key or select another atom entry to apply the change.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></p>
+normal'>Ctrl</b> allow selection of multiple cells but no use is made of them).
+An individual data item can be cut/pasted anywhere including from/to another
+document. Bad entries are rejected (yellow background). If any entry is
+changed, press <b style='mso-bidi-font-weight:normal'>Enter</b> key or select
+another atom entry to apply the change.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3016 +2991 @@
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>x,y</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,z</span></b></span><span
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>x,y,z</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – change atom coordinate.
-Fractions (<span class=GramE>e.g.</span> 1/3, 1/4) are allowed.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></p>
+Fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3029 +3002 @@
 color:windowtext;text-decoration:none;text-underline:none'><span
 style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span></span><![endif]><span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>,Uij</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'> – change these values;
-fractions (e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span
-style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+</span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
+style='mso-fareast-font-family:"Times New Roman"'>frac,Uiso,Uij</span></b><span
+style='mso-fareast-font-family:"Times New Roman"'> – change these values; fractions
+(e.g. 1/3, 1/4) are allowed.<span class=MsoHyperlink><span style='color:windowtext;
+text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3044 +3016 @@
 style='mso-fareast-font-family:"Times New Roman"'>I/A</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – select one of <b
-style='mso-bidi-font-weight:normal'>I</b>(<span class=SpellE>sotropic</span>)
-or <b style='mso-bidi-font-weight:normal'>A</b>(<span class=SpellE>nisotropic</span>);
-the <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span><b
-style='mso-bidi-font-weight:normal'>/<span class=SpellE>Uij</span></b> entries
-will change appropriately. <span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+style='mso-bidi-font-weight:normal'>I</b>(sotropic) or <b style='mso-bidi-font-weight:
+normal'>A</b>(nisotropic); the <b style='mso-bidi-font-weight:normal'>Uiso/Uij</b>
+entries will change appropriately. <span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3079 +3049 @@
 appears with a list of atom parameter names; select one to apply to all
 selected atoms. <b style='mso-bidi-font-weight:normal'>Name</b> will rename
-selected atoms according to position in table (e.g. <span class=GramE>Na(</span>1)
-for Na atom as 1<sup>st</sup> atom in list in row ‘0’). <b style='mso-bidi-font-weight:
-normal'>Type</b> will give periodic table popup; selected element valence will
-be used for all selected atoms and atoms names will be changed. <b
-style='mso-bidi-font-weight:normal'>I/A</b> will give popup with choices to be
-used for all selected atoms. <span class=SpellE><span class=GramE><b
-style='mso-bidi-font-weight:normal'>x,y</b></span><b style='mso-bidi-font-weight:
-normal'>,z</b></span> will give popup for shift to be applied to the parameter
-for all selected atoms. <span class=SpellE><b style='mso-bidi-font-weight:normal'>Uiso</b></span>
-and <b style='mso-bidi-font-weight:normal'>frac</b> will give popup for new value
-to be used for all selected atoms. </p>
+selected atoms according to position in table (e.g. Na(1) for Na atom as 1<sup>st</sup>
+atom in list in row ‘0’). <b style='mso-bidi-font-weight:normal'>Type</b> will
+give periodic table popup; selected element valence will be used for all
+selected atoms and atoms names will be changed. <b style='mso-bidi-font-weight:
+normal'>I/A</b> will give popup with choices to be used for all selected atoms.
+<b style='mso-bidi-font-weight:normal'>x,y,z</b> will give popup for shift to
+be applied to the parameter for all selected atoms. <b style='mso-bidi-font-weight:
+normal'>Uiso</b> and <b style='mso-bidi-font-weight:normal'>frac</b> will give
+popup for new value to be used for all selected atoms. </p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
@@ -3108 +3076 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name= <span
-class=SpellE>Unk</span>) at 0,0,0 before the selected atom, it is also drawn as
-an H atom in the structure plot (small white ball).</p>
+style='mso-bidi-font-weight:normal'>Insert atom</b> – insert an H atom (name=
+Unk) at 0,0,0 before the selected atom, it is also drawn as an H atom in the
+structure plot (small white ball).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
@@ -3117 +3085 @@
 style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Insert viewpoint</b> – insert an H atom
-(name= <span class=SpellE>Unk</span>) before the selected atom with coordinates
-matching the location of the viewpoint, it is also drawn as an H atom in the
-structure plot.</p>
+(name= Unk) before the selected atom with coordinates matching the location of
+the viewpoint, it is also drawn as an H atom in the structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:2.0in;mso-add-space:
@@ -3165 +3132 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= <span
-class=SpellE>Unk</span>) at 0,0,0 to the end of the atom table, it is also
-drawn as an H atom in the structure plot.</p>
+style='mso-bidi-font-weight:normal'>Append atom</b> – add an H atom (name= Unk)
+at 0,0,0 to the end of the atom table, it is also drawn as an H atom in the
+structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3174 +3141 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Append viewpoint</b> – add an H atom (name=
-<span class=SpellE>Unk</span>) to the end of the atom table with coordinates
-matching the location of the viewpoint, it is drawn as an H atom in the
-structure plot.</p>
+Unk) to the end of the atom table with coordinates matching the location of the
+viewpoint, it is drawn as an H atom in the structure plot.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3212 +3178 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Reimport atoms </b>– from any importable
-phase file (<span class=GramE>e.g.</span> <span class=SpellE>cif</span>, <span
-class=SpellE>gpx</span>)</p>
+phase file (e.g. cif, gpx)</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3226 +3191 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Show Distances &amp; Angles – </b>compute
-distances and angles with <span class=SpellE>esds</span> (if possible) for
-selected atoms. A popup dialog box will appear with distance angle controls.
-NB: if atoms have been added or their type changed, you may need to do a <b
-style='mso-bidi-font-weight:normal'>Reset</b> of this dialog box before
-proceeding.</p>
+distances and angles with esds (if possible) for selected atoms. A popup dialog
+box will appear with distance angle controls. NB: if atoms have been added or
+their type changed, you may need to do a <b style='mso-bidi-font-weight:normal'>Reset</b>
+of this dialog box before proceeding.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3236 +3200 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as
-a. but reports result to a file with extension <span class=GramE>“.<span
-class=SpellE>disagl</span></span>”.</p>
+style='mso-bidi-font-weight:normal'>Save Distances &amp; Angles –</b> same as a.
+but reports result to a file with extension “.disagl”.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3311 +3274 @@
 in/out) <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Shift+Left</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> Click</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Left Click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
@@ -3324 +3286 @@
 this way. <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Shift+Right</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Right click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
 "Times New Roman"'>Holding down the shift key while clicking on an atom with
 the right mouse button causes the atom to be selected if previously unselected
-and unselected if previously selected. Any previously selected atoms will be <span
-class=GramE>continue</span> to be selected so shift-right click can be used to
-add atoms to the selection list. If two atoms are overlapped in the current
-view, then the top-most atom will usually be selected. Only atoms in the
-asymmetric unit can be selected from the plot in this way. (On a Mac, <span
-class=SpellE>control+mouse</span> click is an alternate way to do this.) <o:p></o:p></span></p>
+and unselected if previously selected. Any previously selected atoms will be
+continue to be selected so shift-right click can be used to add atoms to the
+selection list. If two atoms are overlapped in the current view, then the
+top-most atom will usually be selected. Only atoms in the asymmetric unit can
+be selected from the plot in this way. (On a Mac, control+mouse click is an
+alternate way to do this.) <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3376 +3337 @@
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
 "Times New Roman"'>Pressing the “k” key cycles through the possible slice
-contouring options (none, lines, colors, <span class=SpellE>lines+colors</span>)<o:p></o:p></span></p>
+contouring options (none, lines, colors, lines+colors)<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3391 +3352 @@
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
-"Times New Roman"'>Pressing the “<span class=GramE>-“ key</span> steps the
-viewpoint in negative drawing z-direction (toward from viewer). If structure is
-incommensurate, “-” steps the structure and map through the 4<sup>th</sup>
-dimension (-tau).<o:p></o:p></span></p>
+"Times New Roman"'>Pressing the “-“ key steps the viewpoint in negative drawing
+z-direction (toward from viewer). If structure is incommensurate, “-” steps the
+structure and map through the 4<sup>th</sup> dimension (-tau).<o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in'><a name="Phase-Draw_Options"><u>Draw Options</u></a></h4>
@@ -3401 +3361 @@
 
 <p class=MsoNormal style='margin-left:.75in'>The Draw Options window provides
-access to <span class=GramE>a number of</span> items that control how the
-structure is displayed. If a map is available (Fourier of charge flipping), one
-can display a 10<span style='font-family:"Calibri",sans-serif'>Å</span>x10<span
-style='font-family:"Calibri",sans-serif'>Å</span> contoured slice centered at
-the viewpoint. Contouring done as lines, colors or lines &amp; colors combined.
-3-D contouring is also available as green (red for negative density) map grid
-points. One can also draw individual or stack of <span class=SpellE>hkl</span>
-planes across unit cell.</p>
+access to a number of items that control how the structure is displayed. If a
+map is available (Fourier of charge flipping), one can display a 10<span
+style='font-family:"Calibri",sans-serif'>Å</span>x10<span style='font-family:
+"Calibri",sans-serif'>Å</span> contoured slice centered at the viewpoint.
+Contouring done as lines, colors or lines &amp; colors combined. 3-D contouring
+is also available as green (red for negative density) map grid points. One can
+also draw individual or stack of hkl planes across unit cell.</p>
 
 <h5 style='margin-left:.5in'>What is drawn here?</h5>
@@ -3428 +3387 @@
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
 gives a list of the atoms and bonds that are to be rendered as lines, van der
-Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or <span
-class=SpellE>polyhedra</span>. There are four menus for this tab; Edit allows
-modification of the list of atoms to be rendered, Compute gives some options
-for geometric characterization of selected atoms, Restraints allows definition
-of 4 different types of restraints on the structure and Rigid body allows
-selection of atoms that form a previously defined rigid body.</p>
+Waals radii balls, sticks, balls &amp; sticks, ellipsoids &amp; sticks or
+polyhedra. There are four menus for this tab; Edit allows modification of the
+list of atoms to be rendered, Compute gives some options for geometric characterization
+of selected atoms, Restraints allows definition of 4 different types of
+restraints on the structure and Rigid body allows selection of atoms that form
+a previously defined rigid body.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -3468 +3427 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
-a Name, Type and <span class=SpellE>Sym</span> Op column heading</b>: a dialog
-box is shown that allows you to select all atoms with that characteristic. For
-example, selecting the Type column will show all the atom types; your choice
-will then cause all those atoms to be selected.</p>
+style='mso-bidi-font-weight:normal'>Double left click a Name, Type and Sym Op
+column heading</b>: a dialog box is shown that allows you to select all atoms
+with that characteristic. For example, selecting the Type column will show all
+the atom types; your choice will then cause all those atoms to be selected.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3478 +3436 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Double left <span class=GramE>click</span>
-a Style, Label or Color column</b>: a dialog box is shown that allows you to
-select a rendering option for all the atoms. For Color a color choice dialog is
-displayed that covers the entire color spectrum. Choose a color by any of the
-means available, press the “Add to Custom Colors”, select that color in the
-Custom colors display and then press OK. <b style='mso-bidi-font-weight:normal'>NB</b>:
-selecting Color will make all atoms have the same color and for Style “blank”
-means the atoms aren’t rendered and thus the drawing will not show any atoms or
-bonds!</p>
+style='mso-bidi-font-weight:normal'>Double left click a Style, Label or Color
+column</b>: a dialog box is shown that allows you to select a rendering option
+for all the atoms. For Color a color choice dialog is displayed that covers the
+entire color spectrum. Choose a color by any of the means available, press the
+“Add to Custom Colors”, select that color in the Custom colors display and then
+press OK. <b style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will
+make all atoms have the same color and for Style “blank” means the atoms aren’t
+rendered and thus the drawing will not show any atoms or bonds!</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3495 +3452 @@
 operations that can be performed on your selected atoms. You must select one or
 more atoms before using any of the menu items. Most of these items can also be
-accessed by selecting one or more atoms and <span class=GramE>right-clicking</span>
-the mouse.</p>
+accessed by selecting one or more atoms and right-clicking the mouse.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3510 +3466 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be
-shown as a label for each atom in selection. The choices <span class=GramE>are:</span>
-none, type, name or number. (NB: atom labelling slows drawing response time).</p>
+shown as a label for each atom in selection. The choices are: none, type, name
+or number. (NB: atom labelling slows drawing response time).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3540 +3496 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>View point</b></span> – position the plot view point to the first atom
-in the selection.</p>
+</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View
+point</b> – position the plot view point to the first atom in the selection.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3559 +3514 @@
 symmetry operator and unit cell translation selected via a dialog display.
 Duplicate atom positions are not retained. Any anisotropic thermal displacement
-parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
+parameters (Uij) will be transformed as appropriate.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3576 +3531 @@
 draw atoms</b> – apply a symmetry operator and unit cell translation to the set
 of selected atoms; they will be changed in place. Any anisotropic thermal
-displacement parameters (<span class=SpellE>Uij</span>) will be transformed as
-appropriate.</p>
+displacement parameters (Uij) will be transformed as appropriate.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3612 +3566 @@
 style='mso-bidi-font-weight:normal'>Create void map </b>– by using a grid of
 probe positions, locate points outside of normal contact distances within a
-structure. Result is a mesh of small blue points in structural voids (<span
-class=GramE>e.g.</span> possible locations of missing water molecules).</p>
+structure. Result is a mesh of small blue points in structural voids (e.g.
+possible locations of missing water molecules).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3621 +3575 @@
 style='mso-bidi-font-weight:normal'>Delete atoms</b> – clear the entire draw
 atom table; it is then refilled from the Atoms table. You should do this
-operation after any changes in the Atoms table, <span class=GramE>e.g.</span>
-by a structure refinement.</p>
+operation after any changes in the Atoms table, e.g. by a structure refinement.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3654 +3607 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this calculates
-distance from <span class=GramE>view-point</span> to all selected draw atoms;
-result is given on the console window.</p>
+distance from view-point to all selected draw atoms; result is given on the
+console window.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -3668 +3621 @@
 for the calculated value if a current variance-covariance matrix is available.
 The result is shown on the console window; it may be cut &amp; pasted to
-another application (<span class=GramE>e.g.</span> Microsoft Word).</p>
+another application (e.g. Microsoft Word).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
@@ -3676 +3629 @@
 style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms are
 selected, a best plane is determined for them. The result is shown on the
-console window; it may be cut &amp; pasted to another application (<span
-class=GramE>e.g.</span> Microsoft Word). Shown are the atom coordinates
-transformed to Cartesian best plane coordinates where the largest range is over
-the X-axis and the smallest is over the Z-axis with the origin at the
-unweighted center of the selection. Root mean square displacements along each
-axis for the best plane are also listed. The Z-axis RMS value indicates the
-flatness of the proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>:
-if you select (<span class=GramE>e.g.</span> all) atoms then Best plane will
-give Cartesian coordinates for these atoms with respect to a coordinate system
-where the X-axis is along the longest axis of the atom grouping and the Z-axis
-is along the shortest distance. The origin is at the unweighted center of the
-selected atoms.</p>
+console window; it may be cut &amp; pasted to another application (e.g.
+Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
+plane coordinates where the largest range is over the X-axis and the smallest
+is over the Z-axis with the origin at the unweighted center of the selection.
+Root mean square displacements along each axis for the best plane are also
+listed. The Z-axis RMS value indicates the flatness of the proposed plane. <b
+style='mso-bidi-font-weight:normal'>NB</b>: if you select (e.g. all) atoms then
+Best plane will give Cartesian coordinates for these atoms with respect to a
+coordinate system where the X-axis is along the longest axis of the atom grouping
+and the Z-axis is along the shortest distance. The origin is at the unweighted
+center of the selected atoms.</p>
 
 <p class=MsoNormal style='margin-left:58.5pt'>7. Menu ‘<b>Restraints’</b> –
@@ -3696 +3648 @@
 restraint</b> – for selected atom pair (A-B).</p>
 
-<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'><span
-class=SpellE>b.</span> <b>Add angle restraint</b> – for selected atom triple
-(A-B-C)</p>
+<p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>b. <b>Add angle
+restraint</b> – for selected atom triple (A-B-C)</p>
 
 <p class=MsoNormal style='margin-left:1.5in;text-indent:-.25in'>c. <b>Add plane
@@ -3757 +3708 @@
 in/out) <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Shift+Left</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> Click</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Left Click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
@@ -3770 +3720 @@
 this way. <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Shift+Right</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> click</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Shift+Right click</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
 "Times New Roman"'>Holding down the shift key while clicking on an atom with
 the right mouse button causes the atom to be selected if previously unselected
-and unselected if previously selected. Any previously selected atoms will be <span
-class=GramE>continue</span> to be selected so shift-right click can be used to
-add atoms to the selection list. If two atoms are overlapped in the current
-view, then the top-most atom will usually be selected. Only atoms in the
-asymmetric unit can be selected from the plot in this way. (On a Mac, <span
-class=SpellE>control+mouse</span> click is an alternate way to do this.) <o:p></o:p></span></p>
+and unselected if previously selected. Any previously selected atoms will be
+continue to be selected so shift-right click can be used to add atoms to the
+selection list. If two atoms are overlapped in the current view, then the
+top-most atom will usually be selected. Only atoms in the asymmetric unit can
+be selected from the plot in this way. (On a Mac, control+mouse click is an
+alternate way to do this.) <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3814 +3763 @@
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
 "Times New Roman"'>Pressing the “s” key brings up a (large) selection of color
-schemes for the slice contours. Default – “</span><span class=SpellE>RdYlGn</span><span
-style='mso-fareast-font-family:"Times New Roman"'>” (Green – positive, red –
-negative &amp; yellow – zero).<o:p></o:p></span></p>
+schemes for the slice contours. Default – “</span>RdYlGn<span style='mso-fareast-font-family:
+"Times New Roman"'>” (Green – positive, red – negative &amp; yellow – zero).<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3823 +3771 @@
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
 "Times New Roman"'>Pressing the “k” key cycles through the possible slice
-contouring options (none, lines, colors, <span class=SpellE>lines+colors</span>)<o:p></o:p></span></p>
+contouring options (none, lines, colors, lines+colors)<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3832 +3780 @@
 a movie file of the change in the structure along the 4<sup>th</sup> dimension
 (tau). Movie controls are found in the GSAS-II <a href="#Preferences">Configuration
-Variables</a>. Requires the <span class=SpellE>imageio</span> python package be
-available for import – it is not normally available in the GSAS-II version of
-python.<o:p></o:p></span></p>
+Variables</a>. Requires the imageio python package be available for import – it
+is not normally available in the GSAS-II version of python.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
@@ -3848 +3795 @@
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
-"Times New Roman"'>Pressing the “<span class=GramE>-“ key</span> steps the
-viewpoint in negative drawing z-direction (away from viewer). If structure is
-incommensurate, “-” steps the structure and map through the 4<sup>th</sup>
-dimension (-tau).<o:p></o:p></span></p>
+"Times New Roman"'>Pressing the “-“ key steps the viewpoint in negative drawing
+z-direction (away from viewer). If structure is incommensurate, “-” steps the
+structure and map through the 4<sup>th</sup> dimension (-tau).<o:p></o:p></span></p>
 
 <h4 style='margin-left:.25in'><a name="Phase-RB_Models">RB Models</a></h4>
@@ -3900 +3846 @@
 in/out) <o:p></o:p></span></p>
 
-<p style='margin-left:1.0in'>When a rigid body is being inserted into a structure,
-both the rigid body and the crystal structure are displayed. It is useful to
-plan for this by preselecting the atoms in the Draw Atoms list and to have
-atoms displayed as &quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The rigid
-body will be displayed as &quot;Ball-and-Sticks<span class=GramE>&quot;</span>
-but bonds will be in green. Use of the Alt key causes the above mouse movements
-to reposition the rigid body rather than change the view of the crystal
-structure:</p>
-
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Alt+Left</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p style='margin-left:1.0in'>When a rigid body is being inserted into a
+structure, both the rigid body and the crystal structure are displayed. It is
+useful to plan for this by preselecting the atoms in the Draw Atoms list and to
+have atoms displayed as &quot;Sticks&quot; or &quot;Ball-and-Sticks.&quot; The
+rigid body will be displayed as &quot;Ball-and-Sticks&quot; but bonds will be
+in green. Use of the Alt key causes the above mouse movements to reposition the
+rigid body rather than change the view of the crystal structure:</p>
+
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Left drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
@@ -3918 +3862 @@
 down rotates the rigid body around screen x &amp; y axes <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Alt+Middle</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Middle drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
@@ -3927 +3870 @@
 down rotates the rigid body around screen z axis (out of screen) <o:p></o:p></span></p>
 
-<p class=MsoNormal style='margin-left:1.25in'><span class=SpellE><b><span
-style='mso-fareast-font-family:"Times New Roman"'>Alt+Right</span></b></span><b><span
-style='mso-fareast-font-family:"Times New Roman"'> drag</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'>: <o:p></o:p></span></p>
+<p class=MsoNormal style='margin-left:1.25in'><b><span style='mso-fareast-font-family:
+"Times New Roman"'>Alt+Right drag</span></b><span style='mso-fareast-font-family:
+"Times New Roman"'>: <o:p></o:p></span></p>
 
 <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
-"Times New Roman"'>Holding Alt while dragging the mouse with the right button
-down translates the rigid body in the screen x &amp; y directions (rotate the
-plot to see and move in the rigid body in the third direction.) Pressing the
+"Times New Roman"'>Holding Alt while dragging the mouse with the right button down
+translates the rigid body in the screen x &amp; y directions (rotate the plot
+to see and move in the rigid body in the third direction.) Pressing the
 &quot;Lock&quot; checkbox next to the origin location prevents the origin from
 being changed in this way. <o:p></o:p></span></p>
@@ -3952 +3894 @@
 the <a href="#Data">&quot;Data&quot; tab</a>) in a structural study. The sample
 orientation relative to the detector axes is specified here and the detector
-orientation is specified for each histogram as goniometer omega, chi, <span
-class=GramE>phi</span> and azimuth values (details below). These values must be
-specified. </p>
+orientation is specified for each histogram as goniometer omega, chi, phi and
+azimuth values (details below). These values must be specified. </p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><o:p>&nbsp;</o:p></p>
@@ -3960 +3901 @@
 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
 margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>Texture
-analysis using GSAS-II employs spherical harmonics modeling, as described by
-Bunge, &quot;Texture Analysis in Materials Science&quot; (1982), and
-implemented by Von Dreele, J. Appl. <span class=SpellE>Cryst</span>., <b
-style='mso-bidi-font-weight:normal'>30</b>, 517-525 (1997) in GSAS. The even
-part of the orientation distribution function (ODF) via the general axis
-equation</p>
+analysis using GSAS-II employs spherical harmonics modeling, as described by Bunge,
+&quot;Texture Analysis in Materials Science&quot; (1982), and implemented by
+Von Dreele, J. Appl. Cryst., <b style='mso-bidi-font-weight:normal'>30</b>,
+517-525 (1997) in GSAS. The even part of the orientation distribution function
+(ODF) via the general axis equation</p>
 
 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -3998 +3938 @@
         mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math";
         font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i
-        style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i
+        style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=</m:r><m:r>-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i
         style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span
           style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4026 +3966 @@
  <v:imagedata src="gsasII-phase_files/image003.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=357 height=56
-src="gsasII-phase_files/image050.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image004.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4048 +3988 @@
  <v:imagedata src="gsasII-phase_files/image005.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=44 height=35
-src="gsasII-phase_files/image051.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image006.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4064 +4004 @@
  <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=40 height=35
-src="gsasII-phase_files/image052.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 take on values according to the sample and crystal symmetries, respectively,
 and thus the two inner summations are over only the resulting unique, nonzero
@@ -4090 +4030 @@
  <v:imagedata src="gsasII-phase_files/image007.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=40 height=35
-src="gsasII-phase_files/image052.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image008.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 is defined for each reflection, h, <i>via</i> polar and azimuthal coordinates (<span
 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>)
 of a unit vector coincident with h relative to the reciprocal lattice. For most
 crystal symmetries, <span style='font-family:Symbol'>f</span> is the angle
-between h and the n-<span class=SpellE>th</span> order major rotation axis of
-the space group (usually the c-axis) and <span style='font-family:Symbol'>b</span>
-is the angle between the projections of h and any secondary axis (usually the
-a-axis) onto the normal plane.<span style='mso-spacerun:yes'>  </span>In a
-similar way the sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
+between h and the n-th order major rotation axis of the space group (usually
+the c-axis) and <span style='font-family:Symbol'>b</span> is the angle between
+the projections of h and any secondary axis (usually the a-axis) onto the
+normal plane.<span style='mso-spacerun:yes'>  </span>In a similar way the
+sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
@@ -4114 +4054 @@
  <v:imagedata src="gsasII-phase_files/image009.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=44 height=35
-src="gsasII-phase_files/image053.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image010.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 is defined according to polar and azimuthal coordinates (<span
 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>)
@@ -4188 +4128 @@
  <v:imagedata src="gsasII-phase_files/image011.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=428 height=56
-src="gsasII-phase_files/image054.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
+src="gsasII-phase_files/image012.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><br>
 Note that this version of the general axis equation differs from that shown in
 Von Dreele (1997) in that the assignment of m and n are reversed. </p>
@@ -4196 +4136 @@
 a diffraction experiment the crystal reflection coordinates (<span
 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>)
-are determined by the choice of reflection index (<span class=SpellE>hkl</span>)
-while the sample coordinates (<span style='font-family:Symbol'>y</span>, <span
-style='font-family:Symbol'>g</span>) are determined by the sample orientation
-on the diffractometer. To define the sample coordinates (<span
-style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>),
-we have defined an instrument coordinate system (I, J, K) such that K is normal
-to the diffraction plane and J is coincident with the direction of the incident
+are determined by the choice of reflection index (hkl) while the sample
+coordinates (<span style='font-family:Symbol'>y</span>, <span style='font-family:
+Symbol'>g</span>) are determined by the sample orientation on the
+diffractometer. To define the sample coordinates (<span style='font-family:
+Symbol'>y</span>, <span style='font-family:Symbol'>g</span>), we have defined
+an instrument coordinate system (I, J, K) such that K is normal to the
+diffraction plane and J is coincident with the direction of the incident
 radiation beam toward the source. We further define a standard set of
 right-handed eulerian goniometer angles (<span style='font-family:Symbol'>W</span>,
@@ -4236 +4176 @@
 normal'><span style='font-family:Symbol'>F</span>+</b><b style='mso-bidi-font-weight:
 normal'><span style='font-family:Symbol'>F</span><sub>s</sub>)</b><b
-style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><span
-class=SpellE><sub>s</sub><span style='font-family:Symbol'>W</span><sub>s</sub></span><o:p></o:p></b></p>
+style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><sub>s</sub></b><b
+style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>W</span><sub>s</sub><o:p></o:p></b></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4246 +4186 @@
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
-margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-class=GramE><i>cos</i>(</span><span style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
+margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><i>cos</i>(<span
+style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i
  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4263 +4203 @@
 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:33.75pt;height:50.25pt'>
+ type="#_x0000_t75" style='width:33.95pt;height:50.2pt'>
  <v:imagedata src="gsasII-phase_files/image013.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=45 height=67
-src="gsasII-phase_files/image055.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image014.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and<span style='mso-spacerun:yes'>   </span><i>tan</i>(<span
 style='font-family:Symbol'>g</span>) = <!--[if gte msEquation 12]><m:oMath><m:f><m:fPr><m:type
@@ -4298 +4238 @@
 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:80.25pt;height:50.25pt'>
+ type="#_x0000_t75" style='width:80.1pt;height:50.2pt'>
  <v:imagedata src="gsasII-phase_files/image015.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=107 height=67
-src="gsasII-phase_files/image056.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image016.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4320 +4260 @@
  <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
-src="gsasII-phase_files/image057.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4336 +4276 @@
  <v:imagedata src="gsasII-phase_files/image019.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=58 height=35
-src="gsasII-phase_files/image058.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image020.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 are developed from (those for <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4349 +4289 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45.65pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image017.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
-src="gsasII-phase_files/image057.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image018.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>are similar)</p>
 
@@ -4403 +4343 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:158.2pt;height:42.1pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:158.25pt;height:42pt'>
  <v:imagedata src="gsasII-phase_files/image021.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=211 height=56
-src="gsasII-phase_files/image059.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image022.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4425 +4365 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:30.95pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:30.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image023.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=41 height=35
-src="gsasII-phase_files/image060.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image024.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 are defined via a Fourier expansion as</p>
 
@@ -4478 +4418 @@
  <v:imagedata src="gsasII-phase_files/image025.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=199 height=70
-src="gsasII-phase_files/image061.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image026.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4531 +4471 @@
  <v:imagedata src="gsasII-phase_files/image027.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=205 height=70
-src="gsasII-phase_files/image062.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image028.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
 margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>for
-<span class=SpellE>n</span> odd.<span style='mso-spacerun:yes'>  </span>Each sum
-is only over either the even or odd values of s, respectively, because of the
-properties of the Fourier coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
+n odd.<span style='mso-spacerun:yes'>  </span>Each sum is only over either the
+even or odd values of s, respectively, because of the properties of the Fourier
+coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
@@ -4552 +4492 @@
  <v:imagedata src="gsasII-phase_files/image029.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
-src="gsasII-phase_files/image063.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
+src="gsasII-phase_files/image030.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
 style='mso-spacerun:yes'>  </span>These Fourier coefficients are determined so
 that the definition </p>
@@ -4674 +4614 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:408.7pt;height:55.25pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:408.7pt;height:55.5pt'>
  <v:imagedata src="gsasII-phase_files/image031.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=545 height=74
-src="gsasII-phase_files/image064.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image032.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4710 +4650 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:101.9pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:102pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image033.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=136 height=35
-src="gsasII-phase_files/image065.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image034.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:func><m:funcPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4743 +4683 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:94.3pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:94.5pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image035.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=126 height=35
-src="gsasII-phase_files/image066.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image036.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>are combined depending on the symmetry and the
 value of n (or m) along with appropriate normalization coefficients to give the
@@ -4762 +4702 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:45.65pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:45.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
-src="gsasII-phase_files/image067.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4782 +4722 @@
  <v:imagedata src="gsasII-phase_files/image039.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=63 height=35
-src="gsasII-phase_files/image068.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
+src="gsasII-phase_files/image040.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span
 style='mso-spacerun:yes'>  </span>For cubic crystal symmetry, the term <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -4799 +4739 @@
  <v:imagedata src="gsasII-phase_files/image037.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=61 height=35
-src="gsasII-phase_files/image067.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image038.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>is obtained directly from the Fourier
 expansion</p>
@@ -4858 +4798 @@
  <v:imagedata src="gsasII-phase_files/image041.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=248 height=72
-src="gsasII-phase_files/image069.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image042.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -4876 +4816 @@
  <v:imagedata src="gsasII-phase_files/image043.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=25 height=39
-src="gsasII-phase_files/image070.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image044.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 as tabulated by Bunge (1982). </p>
 
@@ -4896 +4836 @@
  <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
-src="gsasII-phase_files/image071.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
+src="gsasII-phase_files/image046.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]>,
 and the three sample orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>,
 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
@@ -4912 +4852 @@
 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language:
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
- type="#_x0000_t75" style='width:21.8pt;height:26.35pt'>
+ type="#_x0000_t75" style='width:21.75pt;height:26.25pt'>
  <v:imagedata src="gsasII-phase_files/image045.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=29 height=35
-src="gsasII-phase_files/image071.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
+src="gsasII-phase_files/image046.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span>and the sample orientation angles <span
 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>,
@@ -4968 +4908 @@
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
- id="_x0000_i1025" type="#_x0000_t75" style='width:180.5pt;height:54.25pt'>
+ id="_x0000_i1025" type="#_x0000_t75" style='width:180.75pt;height:54pt'>
  <v:imagedata src="gsasII-phase_files/image047.png" o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=241 height=72
-src="gsasII-phase_files/image072.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
+src="gsasII-phase_files/image048.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
@@ -5019 +4959 @@
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The
-usual arrangement here is to have a capillary sample perpendicular to the diffraction
-plane. The capillary may be spun about its cylinder axis for powder averaging
-and to impose cylindrical symmetry on the texture which is perpendicular to the
-diffraction plane. Thus, <span style='font-family:Symbol'>W</span>, <span
-style='font-family:Symbol'>F = 0</span> and <span style='font-family:Symbol'>C
-=90.</span></p>
+usual arrangement here is to have a capillary sample perpendicular to the
+diffraction plane. The capillary may be spun about its cylinder axis for powder
+averaging and to impose cylindrical symmetry on the texture which is
+perpendicular to the diffraction plane. Thus, <span style='font-family:Symbol'>W</span>,
+<span style='font-family:Symbol'>F = 0</span> and <span style='font-family:
+Symbol'>C =90.</span></p>
 
 <p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>3)
@@ -5047 +4987 @@
 <p class=MsoNormal style='margin-left:.75in'>1. Menu ‘<b>Texture/Refine
 texture’ </b>– refines the spherical harmonics texture model using the
-predetermined values of <span class=SpellE>Prfo</span> for all histogram
-reflection sets as demonstrated in <a
+predetermined values of Prfo for all histogram reflection sets as demonstrated
+in <a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DTexture/Texture%20analysis%20of%202D%20data%20in%20GSAS-II.htm">2DTexture</a>
 tutorial.</p>
@@ -5075 +5015 @@
 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
-an &quot;Axial pole distribution&quot; which simulates the intensity of a reflection
-during a phi scan.<o:p></o:p></span></p>
+an &quot;Axial pole distribution&quot; which simulates the intensity of a
+reflection during a phi scan.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5085 +5025 @@
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
 a &quot;pole figure,&quot; where a projection of the probability of finding a
-pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
-orientation.<o:p></o:p></span></p>
+pole (hkl) is plotted as a function of sample orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5095 +5034 @@
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>as
 an &quot;inverse pole figure,&quot; where a projection of the probability of
-finding all poles (<span class=SpellE>hkls</span>) is plotted for a selected
-sample orientation.<o:p></o:p></span></p>
+finding all poles (hkls) is plotted for a selected sample orientation.<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5105 +5043 @@
 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>or
 as a &quot;3D pole distribution&quot; that shows the probability of finding a
-pole (<span class=SpellE>hkl</span>) is plotted as a function of sample
-orientation. <o:p></o:p></span></p>
+pole (hkl) is plotted as a function of sample orientation. <o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
 margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
 style='mso-fareast-font-family:"Times New Roman"'>For Axial distribution, pole
-figure and 3D pole distribution one must next select the <span class=SpellE>hkl</span>
-of the desired pole, for Inverse pole figure one must select a sample direction
-(typically 0 0 1).<o:p></o:p></span></p>
+figure and 3D pole distribution one must next select the hkl of the desired
+pole, for Inverse pole figure one must select a sample direction (typically 0 0
+1).<o:p></o:p></span></p>
 
 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
@@ -5162 +5099 @@
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
-name=Phase-Pawley><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select the <b style='mso-bidi-font-weight:normal'>mag</b>
-column – the entries will be sorted with the largest at the top.</a></p>
+auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
+the <b style='mso-bidi-font-weight:normal'>mag</b> column – the entries will be
+sorted with the largest at the top.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
-name="Phase-Pawley_reflections"><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman"'><span
-style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select the </a><span class=SpellE><span
-style='mso-bookmark:Pawley'><b style='mso-bidi-font-weight:normal'>dzero</b></span></span><span
-style='mso-bookmark:Pawley'> column – the entries will be sorted with the
-smallest (distance from origin) at the top.</span></p>
+auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
+the <b style='mso-bidi-font-weight:normal'>dzero</b> column – the entries will
+be sorted with the smallest (distance from origin) at the top.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Select the <span class=SpellE><b>dcent</b></span>
-column – the entries will be sorted with the smallest distance from the unit
-cell center at the top.</span></p>
+auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
+the <b>dcent</b> column – the entries will be sorted with the smallest distance
+from the unit cell center at the top.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Menu <b style='mso-bidi-font-weight:normal'>‘Map
-peaks<span class=GramE>’ <span style='font-weight:normal'><span
-style='mso-spacerun:yes'> </span>–</span></span></b></span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Move
-peaks</b> – this copies selected peaks to the </span><a href="#Phase-Atoms"><span
-style='mso-bookmark:Pawley'>Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> list and the </span><a href="#_Draw_Atoms"><span
-style='mso-bookmark:Pawley'>Draw Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> list. They will be appended to the end of each
-list each with the name ‘UNK’ and the atom type as ‘H’. They will also be drawn
-as small white spheres at their respective positions in the structure drawing.
-You should next go to the </span><a href="#Phase-Atoms"><span style='mso-bookmark:
-Pawley'>Atoms</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> page and change the atom type to whatever element
-you desire; it will be renamed automatically.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>View point</b></span><b style='mso-bidi-font-weight:normal'> </b>– this
-positions the viewpoint (large 3D RGB cross) at the 1<sup>st</sup> selected
-peak.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>View pt</b>.
-<b style='mso-bidi-font-weight:normal'>dist</b>. – this calculates distance
-from viewpoint to all selected map peaks.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Hide/Show
-bonds </b>– toggle display of lines (bonds) between peaks</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Calc <span
-class=SpellE>dist</span>/ang </b>– if 2 peaks are selected, this calculates the
-distance between them. If 3 peaks are selected this calculates the angle
-between them; NB: selection order matters. If selection is not 2 or 3 peaks
-this is ignored. Output is on the console window.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+auto;text-indent:-.25in;mso-list:l9 level1 lfo14;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+<b style='mso-bidi-font-weight:normal'>‘Map peaks’ </b><span
+style='mso-spacerun:yes'> </span>–</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Move peaks</b> – this copies selected peaks
+to the <a href="#Phase-Atoms">Atoms</a> list and the <a href="#_Draw_Atoms">Draw
+Atoms</a> list. They will be appended to the end of each list each with the
+name ‘UNK’ and the atom type as ‘H’. They will also be drawn as small white
+spheres at their respective positions in the structure drawing. You should next
+go to the <a href="#Phase-Atoms">Atoms</a> page and change the atom type to
+whatever element you desire; it will be renamed automatically.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>View point </b>– this positions the
+viewpoint (large 3D RGB cross) at the 1<sup>st</sup> selected peak.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>View pt</b>. <b style='mso-bidi-font-weight:
+normal'>dist</b>. – this calculates distance from viewpoint to all selected map
+peaks.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Hide/Show bonds </b>– toggle display of
+lines (bonds) between peaks</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Calc dist/ang </b>– if 2 peaks are
+selected, this calculates the distance between them. If 3 peaks are selected
+this calculates the angle between them; NB: selection order matters. If
+selection is not 2 or 3 peaks this is ignored. Output is on the console window.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Equivalent
 peaks </b>– this selects all peaks related to selection by space group
-symmetry.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Invert
-peak positions </b>– inversion through cell center of map and all positions.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>h.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Roll
-charge flip map </b>– popup allows shifting of the map &amp; all peak positions
-by unit cell fractions; can be along combinations of axes.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>i.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+symmetry.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Invert peak positions </b>– inversion
+through cell center of map and all positions.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Roll charge flip map </b>– popup allows
+shifting of the map &amp; all peak positions by unit cell fractions; can be
+along combinations of axes.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Unique
 peaks </b>– this selects only the unique peak positions amongst those selected;
 a popup allows selection of atom subset closest to x=0, y=0, z=0 origin or
-center.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>j.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+center.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Save
-peaks </b>– saves the peak list as a csv file.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>k.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
-peaks </b>– this deletes selected peaks. The shading on the remaining peaks is
-changed to reflect any change in the maximum after deletion.</span></p>
+peaks </b>– saves the peak list as a csv file.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Delete peaks </b>– this deletes selected
+peaks. The shading on the remaining peaks is changed to reflect any change in
+the maximum after deletion.</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.5in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>l.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+text-indent:-.25in;mso-list:l9 level2 lfo14;tab-stops:list 1.0in'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>l.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Clear
 peaks </b>– this deletes all the peaks in the map peak list; they are also
-removed from the crystal structure drawing plot.</span></p>
-
-<h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'>Pawley reflections<span class=MsoHyperlink><span
-style='color:#5B9BD5;mso-themecolor:accent1'><o:p></o:p></span></span></span></h4>
-
-<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'>This gives the list of reflections used in a Pawley
-refinement and they can only be seen if the ‘Do Pawley refinement’ flag is set
-(see </span><a href="#_General_Phase_Parameters"><span style='mso-bookmark:
-Pawley'>General</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'>).</span></p>
-
-<h5 style='margin-left:.5in'><span style='mso-bookmark:Pawley'>What can I do
-here?</span></h5>
+removed from the crystal structure drawing plot.</p>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
+name="_Pawley_reflections"></a><o:p>&nbsp;</o:p></p>
+
+<h4>Pawley reflections</h4>
+
+<p class=MsoNormal style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>This
+gives the list of reflections used in a Pawley refinement; for them to be used the
+‘Do Pawley refinement’ flag must be set (see <a
+href="#_General_Phase_Parameters">General</a>), otherwise they are ignored.</p>
+
+<h5 style='margin-left:.5in'>What can I do here?</h5>
 
 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
-text-indent:-.25in;mso-list:l3 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>Menu <b style='mso-bidi-font-weight:normal'>‘Operations’</b>
-–</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley settings
-</b>– allows setting of Pawley parameters as shown on the </span><a
-href="#_General_Phase_Parameters"><span style='mso-bookmark:Pawley'>General</span><span
-style='mso-bookmark:Pawley'></span></a><span style='mso-bookmark:Pawley'> tab.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
-create</b> – this creates a new set of Pawley reflections, over writing any
-preexisting Pawley set. They are generated with d-spacings larger than the
-limit set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab for
-this phase. By <span class=GramE>default</span> the refine flags are not set
-and the <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>) = 100.0.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
-estimate</b> – this attempts an estimate of <span class=SpellE>Fsq</span>(<span
-class=SpellE>hkl</span>) from the peak heights of the reflection as seen in the
-1<sup>st</sup> powder pattern of those selected in the </span><a href="#_Data"><span
-style='mso-bookmark:Pawley'>Data</span><span style='mso-bookmark:Pawley'></span></a><span
-style='mso-bookmark:Pawley'> tab.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>d.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley
-update </b>– process Pawley reflection set for negative intensities. These are
-set to ½ its absolute value for noncentrosymmetric space groups (0.3
-otherwise); the refine flag is turned off. One should repeat Pawley refinement
-and then do </span><span style='mso-bookmark:Pawley'><b><span style='font-family:
+text-indent:-.25in;mso-list:l3 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
+<b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Pawley settings </b>– allows setting of
+Pawley parameters as shown on the <a href="#_General_Phase_Parameters">General</a>
+tab.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Pawley create</b> – this creates a new set
+of Pawley reflections, over writing any preexisting Pawley set. They are
+generated with d-spacings larger than the limit set as ‘Pawley dmin’ in the
+General tab for this phase. By default, the refine flags are not set and the
+Fsq(hkl) = 100.0.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Pawley estimate</b> – this attempts an
+estimate of Fsq(hkl) from the peak heights of the reflection as seen in the 1<sup>st</sup>
+powder pattern of those shown as ‘<b>Use’</b> in the <a href="#_Data">Data</a>
+tab for this phase.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Pawley update </b>– process Pawley
+reflection set for negative intensities. These are set to ½ its absolute value
+for noncentrosymmetric space groups (0.3 otherwise); the refine flag is turned
+off. One should repeat Pawley refinement and then do <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'>Refine all</span></b> and an
-additional refinement. Repeat as needed to remove negative intensities. Set </span><span
-style='mso-bookmark:Pawley'><b><span style='font-family:"Calibri",sans-serif;
+additional refinement. Repeat as needed to remove negative intensities. Set <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'>Pawley neg.
+wt.</span></b> (see <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'>Pawley neg. wt.</span></b> (see </span><span style='mso-bookmark:
-Pawley'><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'>Pawley
-settings</span></b>) to further suppress negatives.</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>e.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
+minor-latin'>Pawley settings</span></b>) to further suppress negatives.</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Refine all </b>– sets all refine flags</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Refine
-all </b>– sets all refine flags</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>f.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Refine
-none </b>– clears all refine flags</span></p>
-
-<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>g.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Toggle
-selection </b>– toggles all refine flags</span></p>
+none </b>– clears all refine flags</p>
+
+<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
+auto;text-indent:-.25in;mso-list:l7 level2 lfo18;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
+style='mso-bidi-font-weight:normal'>Toggle selection </b>– toggles all refine
+flags</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
-auto;text-indent:-.25in;mso-list:l3 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span
-style='mso-bookmark:Pawley'><![if !supportLists]><span style='mso-fareast-font-family:
-"Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
-</span></span></span><![endif]>You can change the refine flags either by
-clicking on the box or by selecting one and then selecting the column (a single
-click on the column heading). Then type ‘y’ to set the refine flags or ‘n’ to
-clear the flags. You should not refine those reflections that fall below the
-lower limit or above the upper limit of the powder pattern otherwise you may
-have a singular matrix error in your Pawley refinement.</span></p>
+auto;text-indent:-.25in;mso-list:l3 level1 lfo16;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span
+style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
+style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
+can change the refine flags either by clicking on the box or by selecting one
+and then selecting the column (a single click on the column heading). Then type
+‘y’ to set the refine flags or ‘n’ to clear the flags. You should not refine
+those reflections that are below the lower limit or above the upper limit of
+the powder pattern otherwise you will have singular matrix errors in your
+Pawley refinement (adds to the refinement time as bad parameters are removed).
+Reflections that fall inside excluded regions may also result in refinement
+singularities.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -5408 +5325 @@
 can delete an individual reflection from the Pawley set by selecting its row
 (will be highlighted) and then pressing the Delete key (this is not reversable
-&amp; only <span class=GramE>deletes</span> the 1<sup>st</sup> one selected).</p>
+&amp; only deletes the 1<sup>st</sup> one selected).</p>
 
 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
@@ -5414 +5331 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
-can change the individual <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>)
-values by selecting it, typing in the new <span class=GramE>value</span> and
-then pressing enter or selecting somewhere else in the table.</p>
+can change the individual Fsq(hkl) values by selecting it, typing in the new
+value and then pressing enter or selecting somewhere else in the table.</p>
 
 <h4 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a
@@ -5425 +5341 @@
 <a
 href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-I/Stacking%20Faults-I.htm">Stacking
-Faults-I</a> tutorial. The computations are done by a modified version of <span
-class=SpellE>DIFFaX</span>. See M.M.J. Treacy, J.M. Newsam and M.W. Deem, Proc.
-Roy. Soc. <span class=SpellE>Lond</span>. 433A, 499-520 (1991) for more
-information on <span class=SpellE>DIFFaX</span> and please cite this if you use
-this section of GSAS-II.</p>
+Faults-I</a> tutorial. The computations are done by a modified version of
+DIFFaX. See M.M.J. Treacy, J.M. Newsam and M.W. Deem, Proc. Roy. Soc. Lond.
+433A, 499-520 (1991) for more information on DIFFaX and please cite this if you
+use this section of GSAS-II.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -5443 +5358 @@
 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Load from <span class=SpellE>DIFFaX</span> file
-– </b><span style='mso-bidi-font-weight:bold'>load parameters from a <span
-class=SpellE>DIFFaX</span> input file</span></p>
+style='mso-bidi-font-weight:normal'>Load from DIFFaX file – </b><span
+style='mso-bidi-font-weight:bold'>load parameters from a DIFFaX input file</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
@@ -5460 +5374 @@
 style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Simulate pattern – </b><span
-style='mso-bidi-font-weight:bold'>run <span class=SpellE>DIFFaX</span> to
-simulate selected pattern<o:p></o:p></span></p>
+style='mso-bidi-font-weight:bold'>run DIFFaX to simulate selected pattern<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:99.8pt;mso-add-space:
@@ -5515 +5428 @@
 </span></span></span><![endif]><span style='mso-bidi-font-weight:bold'>Next are
 descriptions of the layers to be used in the calculations. They can be created
-atom-by-atom or imported from another GSAS-II <span class=SpellE>gpx</span>
-file. If a layer is already present, then the new layer can be the same; give
-it a different name.<o:p></o:p></span></p>
+atom-by-atom or imported from another GSAS-II gpx file. If a layer is already
+present, then the new layer can be the same; give it a different name.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:63.8pt;mso-add-space:
@@ -5551 +5463 @@
 <p class=MsoNormal style='margin-left:.5in'>This tab displays the modulation
 functions used for incommensurate structures; it will not appear if the
-structure is commensurate (<span class=GramE>i.e.</span> 3D). They include
-modulations on atom site fractions, <span class=GramE>positions</span> and
-thermal motion parameters. If the structure is magnetic, atom moment modulation
-parameters are also shown.</p>
+structure is commensurate (i.e. 3D). They include modulations on atom site
+fractions, positions and thermal motion parameters. If the structure is
+magnetic, atom moment modulation parameters are also shown.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -5580 +5491 @@
 <p class=MsoNormal style='margin-left:.5in'>This tab displays Monte
 Carlo/Simulated Annealing model parameters and results. Each rigid body is
-described by a location (fractional <span class=SpellE><span class=GramE>x,y</span>,z</span>)
-and a quaternion description for the orientation (rotation angle &amp; 3D
-vector) along with possible bond torsion angles on side chains. Each parameter
-has a defined range. The MC/SA controls on the General tab further limit the
-MC/SA run. Selection of a result shows a drawing of the structure with unit
-cell contents for visualization.</p>
+described by a location (fractional x,y,z) and a quaternion description for the
+orientation (rotation angle &amp; 3D vector) along with possible bond torsion
+angles on side chains. Each parameter has a defined range. The MC/SA controls
+on the General tab further limit the MC/SA run. Selection of a result shows a
+drawing of the structure with unit cell contents for visualization.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -5600 +5510 @@
 
 <p class=MsoNormal style='margin-left:49.5pt;text-indent:-49.5pt'><span
-style='mso-tab-count:2'>                        </span><span class=SpellE>b.</span>
-<b>Add rigid body</b> – add a previously defined rigid body, which may have
-adjustable internal torsion angles.</p>
+style='mso-tab-count:2'>                        </span>b. <b>Add rigid body</b>
+– add a previously defined rigid body, which may have adjustable internal
+torsion angles.</p>
 
 <p class=MsoNormal style='margin-left:49.5pt;text-indent:-49.5pt'><span
@@ -5616 +5526 @@
 <p class=MsoNormal style='margin-left:.5in'>This displays 3 different setups
 each for <a href="https://doi.org/10.1088/0953-8984/19/33/335218">RMCProfile</a>,
-<a href="https://doi.org/10.1002/jcc.24304"><span class=SpellE>fullrmc</span></a>
-and <a href="https://doi.org/10.1088/0953-8984/19/33/335219"><span
-class=SpellE>PDFfit</span></a> as selected by a radio button at the top of the
-window. RMCProfile and <span class=SpellE>fullrmc</span> are “big box”
-modelling routines and <span class=SpellE>PDFfit</span> is a “small box”
-modelling routine; all for fitting structural models to pair distribution
-functions (PDF). Tutorials for using RMCProfile and <span class=SpellE>PDFfit</span>
-can be found in the GSAS-II Help; <span class=SpellE>fullrmc</span> is
+<a href="https://doi.org/10.1002/jcc.24304">fullrmc</a> and <a
+href="https://doi.org/10.1088/0953-8984/19/33/335219">PDFfit</a> as selected by
+a radio button at the top of the window. RMCProfile and fullrmc are “big box”
+modelling routines and PDFfit is a “small box” modelling routine; all for
+fitting structural models to pair distribution functions (PDF). Tutorials for
+using RMCProfile and PDFfit can be found in the GSAS-II Help; fullrmc is
 currently under construction. These routines all run as stand-alone
 applications which are initiated by GSAS-II. When finished, GSAS-II processes
@@ -5629 +5537 @@
 The two big box routines can have very long running times; they run as separate
 console programs. GSAS-II is active while they are running and can
-“interrogate” them for intermediate results. <span class=SpellE>PDFfit</span>
-has a short running time and GSAS-II is “locked out” until it finishes; its
-result can be examined after.</p>
+“interrogate” them for intermediate results. PDFfit has a short running time
+and GSAS-II is “locked out” until it finishes; its result can be examined
+after.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -5639 +5547 @@
 
 <p class=MsoNormal style='margin-left:.75in;tab-stops:.75in'><span
-style='mso-tab-count:1'>      </span>1. <b>Setup RMC</b> – this builds the input
-files and python script (if needed) for running the selected RMC program.</p>
+style='mso-tab-count:1'>      </span>1. <b>Setup RMC</b> – this builds the
+input files and python script (if needed) for running the selected RMC program.</p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:1.0in'><span
 style='mso-tab-count:1'>            </span>2. <b>Execute</b> – this executes
 the chosen RMC program in a new console which will vanish when finishes (after
-a “press any key” command). When finished, GSAS-II will extract results and
-place them in appropriate places in the project.</p>
+a “press any key” command). When finished, GSAS-II will extract results and place
+them in appropriate places in the project.</p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:1.0in'>3. <b>Stop run</b>
-– only valid for <span class=SpellE>fullrmc</span>; stops the RMC run &amp;
-saves progress so it can be continued later.</p>
+– only valid for fullrmc; stops the RMC run &amp; saves progress so it can be
+continued later.</p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:1.0in'>4. <b>Plot</b> –
 this displays the resulting graphical output from the RMC run. For RMCProfile
-and <span class=SpellE>fullrmc</span> this can be 5 or more plots, for <span
-class=SpellE>PDFfit</span> it is only the observed and calculated G(r) plot
-with a difference curve.</p>
+and fullrmc this can be 5 or more plots, for PDFfit it is only the observed and
+calculated G(r) plot with a difference curve.</p>
 
 <p class=MsoNormal style='margin-left:1.0in;tab-stops:1.0in'><o:p>&nbsp;</o:p></p>
@@ -5663 +5570 @@
 similar. There is a block for “metadata” items for your convenience; they have
 no impact on the calculations. Next is timing controls for the big box programs
-(<span class=SpellE>PDFfit</span> has none). Then is structural information and
-finally the data section for the patterns to be fitted. The big box programs
-are for only single runs while <span class=SpellE>PDFfit</span> can be used to
-process a sequence of G(r) data collected as a function of, e.g., temperature
-(giving Sequential PDFfit2 results).</p>
+(PDFfit has none). Then is structural information and finally the data section
+for the patterns to be fitted. The big box programs are for only single runs
+while PDFfit can be used to process a sequence of G(r) data collected as a
+function of, e.g., temperature (giving Sequential PDFfit2 results).</p>
 
 <h4 style='margin-left:.25in'><a name=Phase-ISODISTORT>ISODISTORT</a></h4>
@@ -5673 +5579 @@
 <p class=MsoNormal style='margin-left:.5in'>This displays the setup for using
 the web-based application, <a href="https://iso.byu.edu/iso/isodistort.php">ISODISTORT</a>,
-to identify the possible mode distortions of a parent structure. To use it you must
-be connected to the internet. Two ISODISTORT Methods are supported in GSAS-II:
-Method-1 identifies all possible subgroups that result from simple mode
-distortions that are associated with a single irreducible representation.
+to identify the possible mode distortions of a parent structure. To use it you
+must be connected to the internet. Two ISODISTORT Methods are supported in
+GSAS-II: Method-1 identifies all possible subgroups that result from simple
+mode distortions that are associated with a single irreducible representation.
 Method-4 is more useful in that it finds the mode decomposition of a parent
 structure to give a specified distorted structure and is set up to find only
 atom displacement modes. See help pages for <a
 href="https://iso.byu.edu/iso/isodistort.php">ISODISTORT</a> for more
-information. The ultimate product of using ISODISTORT is a special <span
-class=SpellE>cif</span> file with constraints describing the mode distortions;
-this is imported into GSAS-II to form a new phase with these constraints.</p>
+information. The ultimate product of using ISODISTORT is a special cif file
+with constraints describing the mode distortions; this is imported into GSAS-II
+to form a new phase with these constraints.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
 
 <p class=MsoNormal style='margin-left:.5in'>If this is a freshly created phase
-(not an imported ISODISTORT <span class=SpellE>cif</span>) then you can choose
-the Method (4 is default) and select parent structure and distorted child
-structure (for Method 4).</p>
+(not an imported ISODISTORT cif) then you can choose the Method (4 is default)
+and select parent structure and distorted child structure (for Method 4).</p>
 
 <p class=MsoNormal style='margin-left:.5in'><o:p>&nbsp;</o:p></p>
 
 <p class=MsoNormal style='margin-left:.5in'>If you chose Method 1 &amp; run
-ISODISTORT, a table of possible substructures is displayed; a <span
-class=SpellE>cif</span> file with mode distortion constraints can be produced
-from your selection. The table can be filtered by crystal class.</p>
+ISODISTORT, a table of possible substructures is displayed; a cif file with
+mode distortion constraints can be produced from your selection. The table can
+be filtered by crystal class.</p>
 
 <p class=MsoNormal style='margin-left:.5in'><o:p>&nbsp;</o:p></p>
 
 <p class=MsoNormal style='margin-left:.5in'>If this is a phase imported from an
-ISODISTORT <span class=SpellE>cif</span> file, the mode displacements are shown
-with sliders to allow visualization of the displacements in a drawing of the
-crystal structure (prepare this first before trying a slider). A structure
-refinement using this phase will employ the mode distortions as constraints on
-the atom coordinates; there should be as many as there are free variable
-coordinates in the structure. The values (in <span style='font-family:"Calibri",sans-serif'>Å</span>)
+ISODISTORT cif file, the mode displacements are shown with sliders to allow
+visualization of the displacements in a drawing of the crystal structure
+(prepare this first before trying a slider). A structure refinement using this
+phase will employ the mode distortions as constraints on the atom coordinates;
+there should be as many as there are free variable coordinates in the
+structure. The values (in <span style='font-family:"Calibri",sans-serif'>Å</span>)
 represent the largest atom shift associated with the mode; shown is a list of
 atom coordinates affected by each mode.</p>
@@ -5718 +5623 @@
 from the web site with the controls as shown.</p>
 
-<p class=MsoNormal style='margin-left:.5in'>2) <b>Make <span class=SpellE>cif</span>
-file</b> – active after table from Method 1 is displayed; generate <span
-class=SpellE>cif</span> file by ISODISTORT web site with mode distortion
-constraints.</p>
-
-<p class=MsoNormal style='margin-left:.5in'>3) <b>Make <span class=SpellE>PDFfit</span>
-phase</b> – active when mode distortions are shown. Makes new phase specific
-for fitting PDF data via PDFfit2.</p>
+<p class=MsoNormal style='margin-left:.5in'>2) <b>Make cif file</b> – active
+after table from Method 1 is displayed; generate cif file by ISODISTORT web site
+with mode distortion constraints.</p>
+
+<p class=MsoNormal style='margin-left:.5in'>3) <b>Make PDFfit phase</b> –
+active when mode distortions are shown. Makes new phase specific for fitting
+PDF data via PDFfit2.</p>
 
 <p class=MsoNormal style='margin-left:.5in'>4) <b>Show modes</b> – active when
@@ -5736 +5640 @@
 <h4 style='margin-left:.25in'><a name=Phase-Dysnomia>Dysnomia</a></h4>
 
-<p class=MsoNormal style='margin-left:.5in'>This is displayed if the <b>Use <span
-class=SpellE>Dysnomia</span></b> box in the General tab is checked. <a
-href="https://doi.org/10.1017/S088571561300002X"><span class=SpellE>Dysnomia</span></a>
-is a maximum entropy method for improving Fourier density maps. The <span
-class=SpellE>Dysnomia</span> tab gives controls for its operation.</p>
+<p class=MsoNormal style='margin-left:.5in'>This is displayed if the <b>Use
+Dysnomia</b> box in the General tab is checked. <a
+href="https://doi.org/10.1017/S088571561300002X">Dysnomia</a> is a maximum
+entropy method for improving Fourier density maps. The Dysnomia tab gives
+controls for its operation.</p>
 
 <h5 style='margin-left:.5in'>What can I do here?</h5>
@@ -5746 +5650 @@
 <p class=MsoNormal style='margin-left:.5in'><b>Operations</b> menu – </p>
 
-<p class=MsoNormal style='margin-left:.5in'>1) <b>Load from <span class=SpellE>Dysnomia</span>
-file</b> – as previously saved set of controls.</p>
-
-<p class=MsoNormal style='margin-left:.5in'>2) <b>Save <span class=SpellE>Dysnomia</span>
-file</b> – saves data needed to run <span class=SpellE>Dysnomia</span></p>
-
-<p class=MsoNormal style='margin-left:.5in'>3) <b>Run <span class=SpellE>Dysnomia</span></b>
-– execute the routine from GSAS-II (not a separate console). Replaces existing
-map with one improved by maximum entropy.</p>
+<p class=MsoNormal style='margin-left:.5in'>1) <b>Load from Dysnomia file</b> –
+as previously saved set of controls.</p>
+
+<p class=MsoNormal style='margin-left:.5in'>2) <b>Save Dysnomia file</b> – saves
+data needed to run Dysnomia</p>
+
+<p class=MsoNormal style='margin-left:.5in'>3) <b>Run Dysnomia</b> – execute
+the routine from GSAS-II (not a separate console). Replaces existing map with
+one improved by maximum entropy.</p>
 
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
@@ -5765 +5669 @@
 </span></div>
 
-<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last modified: Thu Mar 24 16:28:36 CDT 2022 <!-- hhmts end --><o:p></o:p></span></p>
+<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last
+modified: Thu Mar 24 16:28:36 CDT 2022 <!-- hhmts end --><o:p></o:p></span></p>
 
 </div>