Changeset 1336

Timestamp:

May 7, 2014 3:09:02 PM (9 years ago)

Author:

vondreele

Message:

Add Small angle seq. fit to tutorial menu

File:

• trunk/help/gsasII.html (modified) (45 diffs)

trunk/help/gsasII.html

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>140</o:Revision>
-  <o:TotalTime>3991</o:TotalTime>
+  <o:Revision>141</o:Revision>
+  <o:TotalTime>3992</o:TotalTime>
   <o:Created>2011-11-28T16:49:00Z</o:Created>
-  <o:LastSaved>2014-05-06T14:17:00Z</o:LastSaved>
+  <o:LastSaved>2014-05-07T18:53:00Z</o:LastSaved>
   <o:Pages>28</o:Pages>
-  <o:Words>10836</o:Words>
-  <o:Characters>61767</o:Characters>
+  <o:Words>10847</o:Words>
+  <o:Characters>61830</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>514</o:Lines>
-  <o:Paragraphs>144</o:Paragraphs>
-  <o:CharactersWithSpaces>72459</o:CharactersWithSpaces>
+  <o:Lines>515</o:Lines>
+  <o:Paragraphs>145</o:Paragraphs>
+  <o:CharactersWithSpaces>72532</o:CharactersWithSpaces>
   <o:Version>14.00</o:Version>
  </o:DocumentProperties>
@@ -2243 +2243 @@
 <meta name=Title content="Help for GSAS-II">
 <meta name=Keywords content="">
-<link href="gsasIIfav.png"
-rel="SHORTCUT ICON">
+<link href=gsasIIfav.png rel="SHORTCUT ICON">
 <!--[if gte mso 9]><xml>
  <o:shapedefaults v:ext="edit" spidmax="1027"/>
@@ -2278 +2277 @@
  <o:lock v:ext="edit" aspectratio="t"/>
 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
- alt="Description: GSAS-II logo"
- style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
- z-index:251657728;visibility:visible;mso-wrap-style:square;
- mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0;
- mso-wrap-distance-top:0;mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
- mso-position-horizontal:right;mso-position-horizontal-relative:text;
- mso-position-vertical:absolute;mso-position-vertical-relative:line;
- mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
- mso-height-relative:page' o:allowoverlap="f">
+ alt="Description: GSAS-II logo" style='position:absolute;margin-left:44.8pt;
+ margin-top:0;width:96pt;height:96pt;z-index:251657728;visibility:visible;
+ mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
+ mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
+ mso-wrap-distance-bottom:0;mso-position-horizontal:right;
+ mso-position-horizontal-relative:text;mso-position-vertical:absolute;
+ mso-position-vertical-relative:line;mso-width-percent:0;mso-height-percent:0;
+ mso-width-relative:page;mso-height-relative:page' o:allowoverlap="f">
  <v:imagedata src="gsas2logo.png"/>
  <w:wrap type="square" anchory="line"/>
-</v:shape><![endif]--><![if !vml]><img width=128 height=128
-src="gsas2logo.png"
-align=right
-alt="Description: GSAS-II logo"
-v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
-for GSAS-II<o:p></o:p></span></h1>
+</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
+align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
+style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
@@ -2337 +2332 @@
 <p class=MsoNormal><strong><span style='font-weight:normal'><a
 href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm">2-D Image
-calibration<o:p></o:p></a></span></strong></p>
+calibration</a></span></strong><span class=MsoHyperlink><o:p></o:p></span></p>
 
 <p class=MsoNormal><strong><a
@@ -2343 +2338 @@
 style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
 
-<p class=MsoNormal><strong><a href="Strain%20fitting%20of%202D%20data%20in%20GSAS-II.htm"><span
+<p class=MsoNormal><strong><a
+href="Strain%20fitting%20of%202D%20data%20in%20GSAS-II.htm"><span
 style='font-weight:normal'>2-D Strain data fitting</span></a><o:p></o:p></strong></p>
 
@@ -2365 +2361 @@
 bold'><a href="Fitting%20Small%20Angle%20Scattering%20Data.htm"><span
 style='mso-bidi-font-weight:normal'>Fitting Small Angle Scattering Data</span></a><o:p></o:p></span></strong></p>
+
+<p class=MsoNormal><strong><span style='font-weight:normal;mso-bidi-font-weight:
+bold'><a href="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data.htm"><span
+style='mso-bidi-font-weight:normal'>Sequential Refinement of Small Angle
+Scattering Data</span></a></span><o:p></o:p></strong></p>
+
+<p class=MsoNormal><strong><span style='font-weight:normal;mso-bidi-font-weight:
+bold'><o:p>&nbsp;</o:p></span></strong></p>
 
 <p class=MsoNormal><strong><o:p>&nbsp;</o:p></strong></p>
@@ -2493 +2497 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Sum powder data</b> – Form the sum of
-previously read powder patterns; each with a multiplier. Can be used to
-accumulate data, subtract background or empty container patterns, etc. Patterns
-used to form the sum must be of identical range and step size. Result is a new
-PWDR entry in the GSAS-II data tree.</p>
+previously read powder patterns; each with a multiplier. Can be used to accumulate
+data, subtract background or empty container patterns, etc. Patterns used to
+form the sum must be of identical range and step size. Result is a new PWDR
+entry in the GSAS-II data tree.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2553 +2557 @@
 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'>Make new PDFs</b> – This creates the pair
-distribution function (PDF) controls for each powder pattern selected in the
-dialog box. See <b style='mso-bidi-font-weight:normal'><span style='color:#4F81BD;
-mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b> for
-further directions.</p>
+style='mso-bidi-font-weight:normal'>Make new PDFs</b> – This creates the pair distribution
+function (PDF) controls for each powder pattern selected in the dialog box. See
+<b style='mso-bidi-font-weight:normal'><span style='color:#4F81BD;mso-themecolor:
+accent1'><a href="#PDF_Controls">PDF Controls</a></span></b> for further
+directions.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2627 +2631 @@
 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'>from</b></span><b
-style='mso-bidi-font-weight:normal'> PDB file</b> - This reads the
-macromolecular phase information from a Protein Data Base file (name.PDB or
-name.ENT). The file name is found in a directory dialog; you can change
-directories as needed. Only .PDB (or .<span class=SpellE>pdb</span>) or .ENT
-(or .<span class=SpellE>ent</span>) file names are shown. Be careful that the
-space group symbol on the ‘CRYST1’ record in the PDB file follows the GSAS-II
-conventions (e.g. with spaces between axial fields). A dialog box is shown with
-the proposed phase name. You can change it if desired.</p>
+style='mso-bidi-font-weight:normal'> PDB file</b> - This reads the macromolecular
+phase information from a Protein Data Base file (name.PDB or name.ENT). The
+file name is found in a directory dialog; you can change directories as needed.
+Only .PDB (or .<span class=SpellE>pdb</span>) or .ENT (or .<span class=SpellE>ent</span>)
+file names are shown. Be careful that the space group symbol on the ‘CRYST1’
+record in the PDB file follows the GSAS-II conventions (e.g. with spaces
+between axial fields). A dialog box is shown with the proposed phase name. You
+can change it if desired.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2703 +2707 @@
 </span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
 normal'>from</b></span><b style='mso-bidi-font-weight:normal'> GSAS-II <span
-class=SpellE>gpx</span> file</b> This reads powder patterns from a previously
-created GSAS-II <span class=SpellE>gpx</span> project file. If the selected
-file has more than one powder pattern, a dialog is shown with the choices; one
-or more can be selected. It will ask for an appropriate instrument parameter
-file to go with the selected powder data sets. <b style='mso-bidi-font-weight:
-normal'><o:p></o:p></b></p>
+class=SpellE>gpx</span> file</b> This reads powder patterns from a previously created
+GSAS-II <span class=SpellE>gpx</span> project file. If the selected file has
+more than one powder pattern, a dialog is shown with the choices; one or more
+can be selected. It will ask for an appropriate instrument parameter file to go
+with the selected powder data sets. <b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
@@ -2795 +2798 @@
 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
 </span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>guess</b></span><b style='mso-bidi-font-weight:normal'> format from
-file</b> This attempts to read one set of single crystal structure factors from
-a file trying the formats as described above. One should not use this for SHELX
-format files as the form of the structure factors is not indicated from within
-the file.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
+normal'>guess</b></span><b style='mso-bidi-font-weight:normal'> format from file</b>
+This attempts to read one set of single crystal structure factors from a file
+trying the formats as described above. One should not use this for SHELX format
+files as the form of the structure factors is not indicated from within the
+file.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l14 level1 lfo1'><![if !supportLists]><span
@@ -2819 +2822 @@
 style='mso-bidi-font-weight:normal'>Export All Peak Lists…</b> - This writes
 the contents of the Peak List for all PWDR data onto a simple text file. There
-will be a heading for each PWDR GSAS-II tree item and columns of values for
-position, intensity, sigma and gamma follow.</p>
+will be a heading for each PWDR GSAS-II tree item and columns of values for position,
+intensity, sigma and gamma follow.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2923 +2926 @@
 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"'>Select ‘Min delta-M/M’ for
-convergence; the refinement will stop when the change in the minimization
-function is less than this value. Set Min delta-M/M = 1.0 to force just a
-single cycle to be performed. A value less than 10<sup>-4</sup> (the default)
-generally gives no better result. The allowed range is 10<sup>-9</sup> to 1.0.<o:p></o:p></span></p>
+convergence; the refinement will stop when the change in the minimization function
+is less than this value. Set Min delta-M/M = 1.0 to force just a single cycle
+to be performed. A value less than 10<sup>-4</sup> (the default) generally
+gives no better result. The allowed range is 10<sup>-9</sup> to 1.0.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
@@ -3129 +3132 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
 restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
-this takes you through a sequence of dialog boxes which ask for the identities
-of the atoms involved in the restraint and the value to be assigned to the
+this takes you through a sequence of dialog boxes which ask for the identities of
+the atoms involved in the restraint and the value to be assigned to the
 restraint. The <span class=SpellE>esd</span> is given a default value which can
 be changed after the restraints are created.<o:p></o:p></span></p>
@@ -3262 +3265 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Import
 residues</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
-(Residue rigid bodies) this reads a predetermined macro file that contains standard
-(<span class=SpellE>Engh</span> &amp; Huber) coordinates for the amino acids
-found in natural proteins along with predetermined variable torsion angle
+(Residue rigid bodies) this reads a predetermined macro file that contains
+standard (<span class=SpellE>Engh</span> &amp; Huber) coordinates for the amino
+acids found in natural proteins along with predetermined variable torsion angle
 definitions.<o:p></o:p></span></p>
 
@@ -3377 +3380 @@
 
 <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
-whatever comment lines (preceded by “#”) found when the powder data file was read
-by GSAS-II. If you are lucky, there will be useful information here (e.g.
+whatever comment lines (preceded by “#”) found when the powder data file was
+read by GSAS-II. If you are lucky, there will be useful information here (e.g.
 sample name, date collected, wavelength used, etc.). If not, this window will
 be blank. The text is read-only.</span></p>
@@ -3499 +3502 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
-A set of individual Bragg peaks using the pseudo-Voigt profile function as their
-shapes. Their parameters are ‘<span class=SpellE>pos</span>’, ’<span
+A set of individual Bragg peaks using the pseudo-Voigt profile function as
+their shapes. Their parameters are ‘<span class=SpellE>pos</span>’, ’<span
 class=SpellE>int</span>’, ‘sig’ &amp; ‘gam’; each can be selected for
 refinement. The default values for sig &amp; gam (=0.10) are for very sharp
@@ -3533 +3536 @@
 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– this
 copies only the refinement flags shown to other selected powder patterns. If
-used, a dialog box (Copy Refinement Flags) will appear showing the list of
-available powder patterns, you can copy the refinement flags to any or all of
-them; select ‘All’ to copy them to all patterns. Then select ‘OK’ to do the
-copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p>
+used, a dialog box (Copy Refinement Flags) will appear showing the list of available
+powder patterns, you can copy the refinement flags to any or all of them;
+select ‘All’ to copy them to all patterns. Then select ‘OK’ to do the copy;
+‘Cancel’ to cancel the operation.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span
@@ -3817 +3820 @@
 
 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
-window shows the list of peaks that will be used by the peak fitting
-refinement. It is filled by picking peaks in the powder pattern displayed in
-the GSASII Plots window as a sequence of ‘+’ marks.<span class=MsoHyperlink><span
+window shows the list of peaks that will be used by the peak fitting refinement.
+It is filled by picking peaks in the powder pattern displayed in the GSASII
+Plots window as a sequence of ‘+’ marks.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
@@ -4139 +4142 @@
 </span></b></span><span style='mso-bookmark:Reflection_List'><span
 style='mso-fareast-font-family:"Times New Roman"'>– this controls the extent of
-the search for the correct indexing. This may need to be increased if an
-indexing trial terminates too quickly. It rarely needs to be changed.<span
+the search for the correct indexing. This may need to be increased if an indexing
+trial terminates too quickly. It rarely needs to be changed.<span
 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
 text-underline:none'><o:p></o:p></span></span></span></span></p>
@@ -4195 +4198 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
 Cell</span></b></span><span style='mso-bookmark:Reflection_List'><span
-style='mso-fareast-font-family:"Times New Roman"'> – this copies selected
-solution to the Unit cell values; attention is paid to the Bravais lattice
-shown for the choice and you may select a <b style='mso-bidi-font-weight:normal'>Space
-group</b> from the pull down box. Press <b style='mso-bidi-font-weight:normal'>Show
-hkl positions</b> to give the allowed peaks; to confirm the indexing compare
-these to peak positions and any unfitted peaks in the pattern.<span
+style='mso-fareast-font-family:"Times New Roman"'> – this copies selected solution
+to the Unit cell values; attention is paid to the Bravais lattice shown for the
+choice and you may select a <b style='mso-bidi-font-weight:normal'>Space group</b>
+from the pull down box. Press <b style='mso-bidi-font-weight:normal'>Show hkl
+positions</b> to give the allowed peaks; to confirm the indexing compare these
+to peak positions and any unfitted peaks in the pattern.<span
 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
 text-underline:none'><o:p></o:p></span></span></span></span></p>
@@ -4468 +4471 @@
 name="Map_peaks"></a><a href="gsasII.html"><span style='mso-bookmark:Map_peaks'><span
 style='color:windowtext;text-decoration:none;text-underline:none'>Map peaks</span></span></a><span
-style='mso-bookmark:Map_peaks'></span>’ page. This page will immediately be
-shown and the peaks will be shown on the structure drawing for this phase as
-white 3-D crosses.<span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
+style='mso-bookmark:Map_peaks'></span>’ page. This page will immediately be shown
+and the peaks will be shown on the structure drawing for this phase as white
+3-D crosses.<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:
@@ -4547 +4550 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Space group</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – this should be set when
-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-Mauguin forms; put a space
-between the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’). 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='mso-fareast-font-family:"Times New Roman"'> – this should be set when 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-Mauguin forms; put a space between
+the axial fields (e.g. ‘F d 3 m’ not ‘Fd3m’). 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>
 
@@ -4651 +4654 @@
     "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
   style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
-  mso-fareast-font-family:"Times New Roman"'><m:r>k&#55349;&#56409;</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
+  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
 style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
@@ -4776 +4779 @@
 </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
@@ -4830 +4833 @@
 set from</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 refinement or a Rietveld
+calculation. These may be either a single crystal data set, or structure factors
+extracted from a powder pattern via a Pawley refinement or a Rietveld
 refinement.<o:p></o:p></span></p>
 
@@ -4938 +4941 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
-all atoms from last selection to the selected row (or top is none previously
+style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects all
+atoms from last selection to the selected row (or top is none previously
 selected).<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
 none;text-underline:none'><o:p></o:p></span></span></span></p>
@@ -4962 +4965 @@
 style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects
-that atom for moving; the status line at bottom of window will show name of
-atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
+that atom for moving; the status line at bottom of window will show name of atom
+selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to
 select a target row for this atom; insertion will be before this row and the
 table will be updated to show the change. NB: the <b style='mso-bidi-font-weight:
@@ -4996 +4999 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Atom data item editing tools</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by
-the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b
+style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by 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 cells but no use is made of them).
@@ -5036 +5039 @@
 </span></span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
 normal'><span style='mso-fareast-font-family:"Times New Roman"'>refine</span></b></span><span
-style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of
-allowed refinement flag choices to be shown; select one (top entry is blank for
-no 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"'> – shows a pulldown of allowed
+refinement flag choices to be shown; select one (top entry is blank for no
+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:1.0in;mso-add-space:
@@ -5393 +5396 @@
 mso-themecolor:accent1;mso-themeshade:191;mso-style-textfill-fill-color:#376092;
 mso-style-textfill-fill-themecolor:accent1;mso-style-textfill-fill-alpha:100.0%;
-mso-style-textfill-fill-colortransforms:lumm=75000'><a
-href="#Rigid_bodies"><!--[if supportFields]><span
+mso-style-textfill-fill-colortransforms:lumm=75000'><a href="#Rigid_bodies"><!--[if supportFields]><span
 style='color:black;mso-style-textfill-fill-color:black;mso-style-textfill-fill-alpha:
 100.0%'><span style='mso-element:field-begin'></span></span><span
@@ -5425 +5427 @@
 (magnitude, x y &amp; z) of all peaks found within the unit cell from the last
 Fourier/charge flip map search sorted in order of decreasing peak magnitude.
-The crystal structure plot shows each peak position as a white to dark gray cross;
-the shade is determined from the magnitude for the peak relative to the maximum
-peak magnitude.</span></p>
+The crystal structure plot shows each peak position as a white to dark gray
+cross; the shade is determined from the magnitude for the peak relative to the
+maximum peak magnitude.</span></p>
 
 <h5><span style='mso-bookmark:Pawley'>What can I do here?</span></h5>
@@ -5454 +5456 @@
 "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 <span class=SpellE><b
-style='mso-bidi-font-weight:normal'>dzero</b></span> column – the entries will
-be sorted with the smallest (distance from origin) at the top.</span></p>
+style='mso-bidi-font-weight:normal'>dzero</b></span> column – the entries will be
+sorted with the smallest (distance from origin) at the top.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l28 level1 lfo24'><span
@@ -5542 +5544 @@
 class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></span></h4>
 
-<p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list of reflections
-used in a Pawley refinement and can only be seen if the phase type is ‘Pawley’
-(see </span><a href="#General"><span style='mso-bookmark:Pawley'><span
+<p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list of
+reflections used in a Pawley refinement and can only be seen if the phase type
+is ‘Pawley’ (see </span><a href="#General"><span style='mso-bookmark:Pawley'><span
 style='color:windowtext;text-decoration:none;text-underline:none'>General</span></span></a><span
 style='mso-bookmark:Pawley'>).</span></p>
@@ -5561 +5563 @@
 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
-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 <span class=SpellE><span class=GramE>Fsq</span></span><span
+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 <span class=SpellE><span class=GramE>Fsq</span></span><span
 class=GramE>(</span><span class=SpellE>hkl</span>) = 100.0.</span></p>
 
@@ -5592 +5594 @@
 click on the column heading). Then type ‘y’ to set the refine flags or ‘n’ to
 clear the flags. You should deselect 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>
+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>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo25'><span
@@ -5643 +5645 @@
 
 <p class=MsoNormal align=center style='text-align:center'><span
+style='mso-bookmark:Pawley'><o:p>&nbsp;</o:p></span></p>
+
+<p class=MsoNormal align=center style='text-align:center'><span
 style='mso-bookmark:Pawley'><span class=MsoHyperlink><span style='color:windowtext;
 text-decoration:none;text-underline:none'><o:p>&nbsp;</o:p></span></span></span></p>
@@ -5659 +5664 @@
 
 </span></span></a></div>
+
+<p class=MsoNormal align=center style='text-align:center'><span
+style='mso-bookmark:Pawley'><o:p>&nbsp;</o:p></span></p>
 
 <p class=MsoNormal align=center style='text-align:center'><span
@@ -5701 +5709 @@
 style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:"Times New Roman";
 mso-no-proof:yes'><img border=0 width=227 height=33 id="_x0000_i1032"
-src="graphbar.jpg"
-alt="Description: toolbar on plots"></span></span><span
+src=graphbar.jpg alt="Description: toolbar on plots"></span></span><span
 style='mso-bookmark:Pawley'><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></span></p>
@@ -6003 +6010 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>:
 contour off/on</span></b></span><span style='mso-bookmark:Pawley'><span
-style='mso-fareast-font-family:"Times New Roman"'> – this turns off contouring
-and returns to a waterfall plot with any offsets applied.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> – this turns off contouring and
+returns to a waterfall plot with any offsets applied.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo28'><span
@@ -6026 +6032 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b></span><span
 style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:"Times New Roman"'>
-- Modify the values of ‘changed’; this can be done on the plot by dragging the limit
-bars (left – vertical green dashed line, right – vertical red dashed line) into
-position. A left or right mouse click on a data point on the plot will set the
-associated limit. In either case the appropriate value on the ‘changed’ row
-will be updated immediately.<span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
+- Modify the values of ‘changed’; this can be done on the plot by dragging the
+limit bars (left – vertical green dashed line, right – vertical red dashed
+line) into position. A left or right mouse click on a data point on the plot
+will set the associated limit. In either case the appropriate value on the
+‘changed’ row will be updated immediately.<span class=MsoHyperlink><span
+style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
 
 <h4><span style='mso-bookmark:Pawley'><a name=Covariance><span
@@ -6043 +6049 @@
 "Times New Roman"'>The variance-covariance matrix as a color coded array is
 shown on this page. The color bar to the right shows the range of covariances
-(-1 to 1) and corresponding colors. The parameter names are to the right and the
-parameter numbers are below the plot.<span class=MsoHyperlink><span
+(-1 to 1) and corresponding colors. The parameter names are to the right and
+the parameter numbers are below the plot.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
 
@@ -6056 +6062 @@
 </span></span></span><![endif]>Move the mouse cursor across the plot. If on a
 diagonal cell, the parameter name, value and esd is shown both as a tool tip
-and in the right hand portion of the status bar. If the cursor is off the
-diagonal, the two parameter names and their covariance are shown in the tool
-tip and the status bar.</span></p>
+and in the right hand portion of the status bar. If the cursor is off the diagonal,
+the two parameter names and their covariance are shown in the tool tip and the
+status bar.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo29'><span
@@ -6226 +6232 @@
 none'><o:p></o:p></span></span></span></span></h4>
 
-<p class=MsoNormal><span style='mso-bookmark:Pawley'>This plot shows the atoms of
-the crystal structure. The atoms are displayed according to the controls in the
-</span><a href="gsasII.html"><span style='mso-bookmark:Pawley'><span
+<p class=MsoNormal><span style='mso-bookmark:Pawley'>This plot shows the atoms
+of the crystal structure. The atoms are displayed according to the controls in
+the </span><a href="gsasII.html"><span style='mso-bookmark:Pawley'><span
 style='color:windowtext;text-decoration:none;text-underline:none'>Draw Options</span></span></a><span
 style='mso-bookmark:Pawley'> page.</span></p>
@@ -6249 +6255 @@
 
 </span></span></a></div>
+
+<p class=MsoNormal align=center style='text-align:center'><span
+style='mso-bookmark:Pawley'><o:p>&nbsp;</o:p></span></p>
 
 <p class=MsoNormal align=center style='text-align:center'><span