Changeset 1346 for trunk/help

Timestamp:

May 15, 2014 10:01:57 AM (11 years ago)

Author:

vondreele

Message:

new Small Angle Image Processing tutorial

Location:

trunk/help

Files:

• Small Angle Image Processing.htm (added)
• Small Angle Image Processing_files (added)
• Small Angle Image Processing_files/colorschememapping.xml (added)
• Small Angle Image Processing_files/filelist.xml (added)
• Small Angle Image Processing_files/image001.png (added)
• Small Angle Image Processing_files/image002.png (added)
• Small Angle Image Processing_files/image003.png (added)
• Small Angle Image Processing_files/image004.png (added)
• Small Angle Image Processing_files/image005.png (added)
• Small Angle Image Processing_files/image006.png (added)
• Small Angle Image Processing_files/image007.png (added)
• Small Angle Image Processing_files/image008.png (added)
• Small Angle Image Processing_files/image009.png (added)
• Small Angle Image Processing_files/image010.png (added)
• Small Angle Image Processing_files/image011.png (added)
• Small Angle Image Processing_files/image013.png (added)
• Small Angle Image Processing_files/image014.png (added)
• Small Angle Image Processing_files/image015.png (added)
• Small Angle Image Processing_files/image016.png (added)
• Small Angle Image Processing_files/image017.png (added)
• Small Angle Image Processing_files/image018.png (added)
• Small Angle Image Processing_files/image019.png (added)
• Small Angle Image Processing_files/image020.png (added)
• Small Angle Image Processing_files/image021.png (added)
• Small Angle Image Processing_files/image022.png (added)
• Small Angle Image Processing_files/image023.png (added)
• Small Angle Image Processing_files/image024.png (added)
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• Small Angle Image Processing_files/image033.png (added)
• Small Angle Image Processing_files/image034.png (added)
• Small Angle Image Processing_files/image035.png (added)
• Small Angle Image Processing_files/image036.png (added)
• Small Angle Image Processing_files/image037.png (added)
• Small Angle Image Processing_files/image038.png (added)
• Small Angle Image Processing_files/image039.png (added)
• Small Angle Image Processing_files/image040.png (added)
• Small Angle Image Processing_files/image041.png (added)
• Small Angle Image Processing_files/image042.png (added)
• Small Angle Image Processing_files/image043.png (added)
• Small Angle Image Processing_files/item0033.xml (added)
• Small Angle Image Processing_files/props034.xml (added)
• Small Angle Image Processing_files/themedata.thmx (added)
• gsasII.html (modified) (44 diffs)

trunk/help/gsasII.html ¶

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>141</o:Revision>
-  <o:TotalTime>3992</o:TotalTime>
+  <o:Revision>142</o:Revision>
+  <o:TotalTime>3993</o:TotalTime>
   <o:Created>2011-11-28T16:49:00Z</o:Created>
-  <o:LastSaved>2014-05-07T18:53:00Z</o:LastSaved>
+  <o:LastSaved>2014-05-15T15:00:00Z</o:LastSaved>
   <o:Pages>28</o:Pages>
-  <o:Words>10847</o:Words>
-  <o:Characters>61830</o:Characters>
+  <o:Words>10871</o:Words>
+  <o:Characters>61971</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>515</o:Lines>
+  <o:Lines>516</o:Lines>
   <o:Paragraphs>145</o:Paragraphs>
-  <o:CharactersWithSpaces>72532</o:CharactersWithSpaces>
+  <o:CharactersWithSpaces>72697</o:CharactersWithSpaces>
   <o:Version>14.00</o:Version>
  </o:DocumentProperties>
@@ -2357 +2357 @@
 href="Charge%20Flipping%20-%20sucrose.htm"><span style='font-weight:normal'>sucrose</span></a><o:p></o:p></strong></p>
 
+<p class=MsoNormal><strong><a href="Small%20Angle%20Image%20Processing.htm"><span
+style='font-weight:normal'>Small angle image processing</span></a><o:p></o:p></strong></p>
+
 <p class=MsoNormal><strong><span style='font-weight:normal;mso-bidi-font-weight:
 bold'><a href="Small%20Angle%20Size%20Distribution.htm"><span style='mso-bidi-font-weight:
@@ -2366 +2369 @@
 
 <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
+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>
@@ -2436 +2440 @@
 style='mso-fareast-font-family:"Times New Roman"'>, it will be saved there.
 Otherwise, you will be prompted for a new name in a file dialog (you may change
-directory as well). If the file exists, you will be asked if it OK to
-overwrite.</span></p>
+directory as well). If the file exists, you will be asked if it OK to overwrite.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2499 +2502 @@
 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'>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>
+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>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2524 +2527 @@
 normal'><a href="#General">General</a></b> tab is opened for this phase; you
 should first select the phase type, enter the space group symbol and then
-lattice parameters. Note that nonstandard space group symbols are permitted;
-there must be spaces between the axial fields (e.g. use ‘P n a 21’ not
-‘Pna21’).</p>
+lattice parameters. Note that nonstandard space group symbols are permitted; there
+must be spaces between the axial fields (e.g. use ‘P n a 21’ not ‘Pna21’).</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2540 +2542 @@
 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'>Rename data</b> – This might be a bad
-idea!! Don’t use this unless the data to be renamed has not been used anywhere
-in GSAS-II, e.g. only rename freshly read data.</p>
+style='mso-bidi-font-weight:normal'>Rename data</b> – This might be a bad idea!!
+Don’t use this unless the data to be renamed has not been used anywhere in
+GSAS-II, e.g. only rename freshly read data.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2560 +2562 @@
 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:
@@ -2634 +2636 @@
 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:
@@ -2710 +2712 @@
 </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:
@@ -2777 +2780 @@
 style='mso-list:Ignore'>2.<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'>from</b></span><b style='mso-bidi-font-weight:normal'> F HKL file</b>
-This reads structure factors (as F) and sig(F) from a SHELX format .<span
+normal'>from</b></span><b style='mso-bidi-font-weight:normal'> F HKL file</b> This
+reads structure factors (as F) and sig(F) from a SHELX format .<span
 class=SpellE>hkl</span> file. The file names are found in a directory dialog;
 you can change directories as needed. You must know this is the content of this
@@ -2801 +2804 @@
 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
@@ -2825 +2828 @@
 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:
@@ -2928 +2931 @@
 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"'>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>
+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>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
@@ -3135 +3138 @@
 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>
@@ -3177 +3180 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
 value</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – this
-changes the ‘<span class=SpellE>obsd</span>’ value for selected restraints; a
-dialog box will appear asking for the new value. <o:p></o:p></span></p>
+changes the ‘<span class=SpellE>obsd</span>’ value for selected restraints; a dialog
+box will appear asking for the new value. <o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3333 +3336 @@
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
 normal;mso-bidi-font-weight:bold'> – this will create a text file of selected
-columns with values and corresponding <span class=SpellE>esds</span>. A file
-dialog box will appear; give a suitable file name; you may change directory if
+columns with values and corresponding <span class=SpellE>esds</span>. A file dialog
+box will appear; give a suitable file name; you may change directory if
 desired.<o:p></o:p></span></h5>
 
@@ -3507 +3510 @@
 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
-peaks, you may adjust them accordingly to the kind of peak you are trying to
-fit before trying to refine them.<o:p></o:p></span></p>
+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 peaks, you may
+adjust them accordingly to the kind of peak you are trying to fit before trying
+to refine them.<o:p></o:p></span></p>
 
 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
@@ -3539 +3542 @@
 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
@@ -3684 +3687 @@
 style='mso-fareast-font-family:"Times New Roman"'>- – this copies the
 instrument parameter 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 instrument parameter 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. The copy will
-only work for instrument parameters that are commensurate with the one that is
-shown, e.g. single radiation patterns will not be updated from K</span><sub><span
+If used, a dialog box (Copy refinement flags) will appear showing the list of available
+powder patterns, you can copy the instrument parameter 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. The copy will only work for
+instrument parameters that are commensurate with the one that is shown, e.g.
+single radiation patterns will not be updated from K</span><sub><span
 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
@@ -3779 +3782 @@
 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Save</span></span><span
 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – this saves
-the sample parameters to a file with the extension ’.samprm’. A file dialog box
+color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – this saves the
+sample parameters to a file with the extension ’.samprm’. A file dialog box
 will appear to ask for the file name.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
@@ -3823 +3826 @@
 
 <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>
 
@@ -4048 +4051 @@
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;text-decoration:
 none;text-underline:none'>Peak List</span></a><span style='mso-fareast-font-family:
-"Times New Roman"'> to make them available for the indexing routine. The d-obs
-is obtained from Bragg’s Law after applying the Zero correction shown on the </span><a
+"Times New Roman"'> to make them available for the indexing routine. The d-obs is
+obtained from Bragg’s Law after applying the Zero correction shown on the </span><a
 href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'>Instrument
@@ -4145 +4148 @@
 </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>
@@ -4168 +4171 @@
 style='mso-list:Ignore'>4.<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"'>Menu<b style='mso-bidi-font-weight:normal'> ‘Cell
-Index/Refine’ </b>– <span class=MsoHyperlink><span style='color:windowtext;
-text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
+"Times New Roman"'>Menu<b style='mso-bidi-font-weight:normal'> ‘Cell Index/Refine’
+</b>– <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='margin-left:.75in;mso-add-space:
@@ -4201 +4204 @@
 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>
@@ -4331 +4334 @@
 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"'>Select
-the zone</span></b><span style='mso-fareast-font-family:"Times New Roman"'> –
-select between 100, 010 or 001; plot axes will be labeled accordingly.<o:p></o:p></span></p>
+the zone</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – select
+between 100, 010 or 001; plot axes will be labeled accordingly.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo19'><![if !supportLists]><span
@@ -4474 +4477 @@
 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:
@@ -4488 +4491 @@
 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 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 0.5A)
-and a charge flip threshold (usually 0.1); these are found at the bottom of the
-<b style='mso-bidi-font-weight:normal'>General</b> window. 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>
+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 0.5A) and a
+charge flip threshold (usually 0.1); these are found at the bottom of the <b
+style='mso-bidi-font-weight:normal'>General</b> window. 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. The resulting map will be positioned to
 properly place symmetry operators (NB: depends on the quality of the resulting
@@ -4553 +4556 @@
 </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>
 
@@ -4769 +4772 @@
 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Reflection 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 refinement.<span class=MsoHyperlink><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 refinement.<span class=MsoHyperlink><span
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>
 
@@ -4944 +4947 @@
 </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>
@@ -4968 +4971 @@
 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:
@@ -4981 +4984 @@
 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 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>
+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='text-indent:-.25in;mso-list:l3 level1 lfo21'><![if !supportLists]><span
@@ -5002 +5004 @@
 </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).
@@ -5042 +5044 @@
 </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:
@@ -5459 +5461 @@
 "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
@@ -5593 +5595 @@
 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 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>
+</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 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>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo25'><span
@@ -5651 +5653 @@
 
 <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>
@@ -5667 +5672 @@
 
 </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
@@ -6013 +6021 @@
 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
@@ -6051 +6060 @@
 <p class=MsoNormal><span style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:
 "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
+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
 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>
 
@@ -6065 +6074 @@
 </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
@@ -6286 +6295 @@
 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'><o:p>&nbsp;</o:p></span></p>
+
 <p class=MsoNormal><span style='mso-bookmark:Pawley'><!-- hhmts start --></span><a
 href="gsasII.html"><span style='mso-bookmark:Pawley'><span style='mso-fareast-font-family: