Changeset 1258

Timestamp:

Mar 20, 2014 4:34:09 PM (10 years ago)

Author:

vondreele

Message:

Added new tutorial for size distribution from SASD.

Location:

trunk/help

Files:

• Small Angle Size Distribution.htm (added)
• Small Angle Size Distribution_files (added)
• Small Angle Size Distribution_files/colorschememapping.xml (added)
• Small Angle Size Distribution_files/filelist.xml (added)
• Small Angle Size Distribution_files/image001.png (added)
• Small Angle Size Distribution_files/image002.png (added)
• Small Angle Size Distribution_files/image003.png (added)
• Small Angle Size Distribution_files/image004.png (added)
• Small Angle Size Distribution_files/image005.png (added)
• Small Angle Size Distribution_files/image006.png (added)
• Small Angle Size Distribution_files/image007.png (added)
• Small Angle Size Distribution_files/image008.png (added)
• Small Angle Size Distribution_files/image009.png (added)
• Small Angle Size Distribution_files/image010.png (added)
• Small Angle Size Distribution_files/image011.png (added)
• Small Angle Size Distribution_files/image012.png (added)
• Small Angle Size Distribution_files/image013.png (added)
• Small Angle Size Distribution_files/image014.png (added)
• Small Angle Size Distribution_files/themedata.thmx (added)
• gsasII.html (modified) (47 diffs)
• gsasII_files/props011.xml (modified) (1 diff)

trunk/help/gsasII.html

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>134</o:Revision>
-  <o:TotalTime>3975</o:TotalTime>
+  <o:Revision>135</o:Revision>
+  <o:TotalTime>3979</o:TotalTime>
   <o:Created>2011-11-28T16:49:00Z</o:Created>
-  <o:LastSaved>2014-01-13T19:41:00Z</o:LastSaved>
+  <o:LastSaved>2014-03-20T17:00:00Z</o:LastSaved>
   <o:Pages>27</o:Pages>
-  <o:Words>10790</o:Words>
-  <o:Characters>61503</o:Characters>
+  <o:Words>10804</o:Words>
+  <o:Characters>61589</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
-  <o:Lines>512</o:Lines>
+  <o:Lines>513</o:Lines>
   <o:Paragraphs>144</o:Paragraphs>
-  <o:CharactersWithSpaces>72149</o:CharactersWithSpaces>
+  <o:CharactersWithSpaces>72249</o:CharactersWithSpaces>
   <o:Version>14.00</o:Version>
  </o:DocumentProperties>
@@ -2342 +2342 @@
 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>
 
@@ -2351 +2352 @@
 class=SpellE><span style='font-weight:normal'>jadarite</span></span></a> &amp; <a
 href="Charge%20Flipping%20-%20sucrose.htm"><span style='font-weight:normal'>sucrose</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:
+normal'>Small angle X-ray data size distribution</span></a><o:p></o:p></span></strong></p>
 
 <p class=MsoNormal><strong><o:p>&nbsp;</o:p></strong></p>
@@ -2379 +2384 @@
 Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
 about how data were collected, such as the sample temperature <a
-href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move the
-selection to successive entries in the data tree; both the data window and the
-associated plot (if any) will change.<o:p></o:p></span></p>
+href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
+the selection to successive entries in the data tree; both the data window and
+the associated plot (if any) will change.<o:p></o:p></span></p>
 
 <h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
@@ -2588 +2593 @@
 &#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; A sub
 menu appears with choices for import of data. Each entry when selected with the
-mouse shows further submenus with specific imports that are available. Any of
-these files can be accessed from a zip file.</p>
+mouse shows further submenus with specific imports that are available. Any of these
+files can be accessed from a zip file.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -2602 +2607 @@
 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'> GSAS .EXP file - </b>This reads one phase from
-a GSAS experiment file (name.EXP). The file name is found in a directory
+style='mso-bidi-font-weight:normal'> GSAS .EXP file - </b>This reads one phase
+from a GSAS experiment file (name.EXP). The file name is found in a directory
 dialog; you can change directories as needed. Only .EXP (or .exp) file names
 are shown. If the selected file has more than one phase, a dialog is shown with
@@ -2750 +2755 @@
 normal'>from</b></span><b style='mso-bidi-font-weight:normal'> F**2 HKL file </b>This
 reads structure factors (as F**2) and sig(F**2) 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
+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
 file as it will have no internal indication of its contents.<b
 style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
@@ -2914 +2919 @@
 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 &#8216;Min
-delta-M/M&#8217; 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 &#8216;Min delta-M/M&#8217;
+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
@@ -2937 +2941 @@
 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"'>If &#8216;analytic
-Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
-number of least squares cycles to be performed. Least squares cycles are
-determined by the number of times a new Hessian matrix is computes; the <span
-class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
-several times between cycles as it finds the optimal value of the Marquardt
-coefficient. Choices are given in the pull down selection; the default is 3
-cycles.<o:p></o:p></span></p>
+Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum number
+of least squares cycles to be performed. Least squares cycles are determined by
+the number of times a new Hessian matrix is computes; the <span class=SpellE>Levenberg</span>-Marquardt
+algorithm may compute the function several times between cycles as it finds the
+optimal value of the Marquardt coefficient. Choices are given in the pull down
+selection; the default is 3 cycles.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span
@@ -3016 +3019 @@
 &#8211; select a list of parameters that should have the same value (possibly
 with a non-unitary multiplier for some). Examples are a list of atoms with the
-same thermal motion <span class=SpellE>Uiso</span>, sets of profile
-coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
-selected, a dialog box will appear with a list of the available parameters.
-Select one and press OK; a second dialog box will appear with only those
-parameters that can be made equivalent to the first one. Choose those and press
-OK. Cancel in either dialog will cancel the operation. The equivalenced
-parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
-usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
-button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
-equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
+same thermal motion <span class=SpellE>Uiso</span>, sets of profile coefficients
+U<span class=GramE>,V,W</span> across multiple data sets. If selected, a dialog
+box will appear with a list of the available parameters. Select one and press
+OK; a second dialog box will appear with only those parameters that can be made
+equivalent to the first one. Choose those and press OK. Cancel in either dialog
+will cancel the operation. The equivalenced parameters will show as an equation
+of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0; usually
+M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217; button. The
+keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an equivalence</span>.
+A Delete button can be used to remove it.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3093 +3096 @@
 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]><span
-style='mso-fareast-font-family:"Times New Roman"'>You can change the search
-range used to find the bonds/angles that meet your criteria for restraint.<o:p></o:p></span></p>
+style='mso-fareast-font-family:"Times New Roman"'>You can change the search range
+used to find the bonds/angles that meet your criteria for restraint.<o:p></o:p></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo4'><![if !supportLists]><span
@@ -3191 +3194 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Delete
 restraints</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
-&#8211; this deletes selected restraints from the list. A single click in the blank
-box in the upper left corner of the table will select/deselect all restraints.<o:p></o:p></span></p>
+&#8211; this deletes selected restraints from the list. A single click in the
+blank box in the upper left corner of the table will select/deselect all
+restraints.<o:p></o:p></span></p>
 
 <h4><a name="Rigid_bodies"><span style='mso-fareast-font-family:"Times New Roman"'>Rigid
@@ -3229 +3233 @@
 </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'><span
 style='mso-fareast-font-family:"Times New Roman"'>Add rigid body</span></b><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; (Vector rigid
-bodies) this creates a vector description of a rigid body. A dialog box asks
-the number of atoms (&gt;2) and the number of vectors required to create the
-rigid body. An entry will be created showing a magnitude with the vector set to
-be applied for each vector needed to develop the rigid body.<b
-style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; (Vector rigid bodies)
+this creates a vector description of a rigid body. A dialog box asks the number
+of atoms (&gt;2) and the number of vectors required to create the rigid body.
+An entry will be created showing a magnitude with the vector set to be applied
+for each vector needed to develop the rigid body.<b style='mso-bidi-font-weight:
+normal'><o:p></o:p></b></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -3330 +3334 @@
 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
 normal;mso-bidi-font-weight:bold'> &#8211; 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
+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 desired.<o:p></o:p></span></h5>
 
@@ -3338 +3342 @@
 <p class=MsoNormal>These are shown in the data tree with a prefix of
 &#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, or &#8216;PDF&#8217;
-and usually a file name. These constitute the data sets
-(&#8216;Histograms&#8217;) to be used by GSAS-II for analysis. Selection of
-these items does not produce any information in the data window but does
-display the data in the Plots Window. They are described below.</p>
+and usually a file name. These constitute the data sets (&#8216;Histograms&#8217;)
+to be used by GSAS-II for analysis. Selection of these items does not produce
+any information in the data window but does display the data in the Plots
+Window. They are described below.</p>
 
 <h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
@@ -3665 +3669 @@
 style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
 instrument parameters shown to other selected powder patterns. If used, a
-dialog box (Copy parameters) will appear showing the list of available powder
-patterns, you can copy the instrument parameters to any or all of them; select &#8216;All&#8217;
-to copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
-&#8216;Cancel&#8217; 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
+dialog box (Copy parameters) will appear showing the list of available powder patterns,
+you can copy the instrument parameters to any or all of them; select
+&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
+do the copy; &#8216;Cancel&#8217; 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
@@ -3689 +3693 @@
 style='mso-fareast-font-family:"Times New Roman"'>- &#8211; 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 &#8216;All&#8217; to copy them to all patterns. Then
-select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; 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 style='mso-fareast-font-family:"Times New Roman"'>/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 &#8216;All&#8217; to copy them to all
+patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; 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
+style='mso-fareast-font-family:"Times New Roman"'>/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"'>2</span></sub><span
@@ -3866 +3871 @@
 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; this
 fills the table with peak positions. These are selected based on peak tops that
-are substantially above background. Noisy data will give spurious peaks and small
-peaks or shoulders will not be found. Examine results &amp; modify as needed.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></span></h5>
+are substantially above background. Noisy data will give spurious peaks and
+small peaks or shoulders will not be found. Examine results &amp; modify as
+needed.<span class=MsoHyperlink><span style='color:windowtext;text-decoration:
+none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
 
 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
@@ -3900 +3905 @@
 The refinement will proceed until convergence. We suggest you vary the
 intensity along with the background first (the default), then vary the position
-and instrument parameters after. The order will depend on how poor is the initial
-estimate of the instrument parameters (U, V, W, X, Y &amp; SH/L). To determine
-how to proceed, examine in detail the powder pattern difference curve displayed
-in the GSASII Plots window. If individual peaks show peak widths that are
-widely different, their individual sigma and gamma parameters may be refined.
-If the refinement results in negative peak coefficients, these will be
+and instrument parameters after. The order will depend on how poor is the
+initial estimate of the instrument parameters (U, V, W, X, Y &amp; SH/L). To
+determine how to proceed, examine in detail the powder pattern difference curve
+displayed in the GSASII Plots window. If individual peaks show peak widths that
+are widely different, their individual sigma and gamma parameters may be
+refined. If the refinement results in negative peak coefficients, these will be
 highlighted in red. If this happens, you should </span></span><span
 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
@@ -3920 +3925 @@
 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
-style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one cycle
-</span></span><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
-"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
-bold'>&#8211; perform a single cycle of least squares refinement. This can be
-used in difficult cases to get a refinement started toward convergence.<span
-class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
-text-underline:none'><o:p></o:p></span></span></span></span></h5>
+style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
+cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
+style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
+normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
+squares refinement. This can be used in difficult cases to get a refinement
+started toward convergence.<span class=MsoHyperlink><span style='color:windowtext;
+text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></h5>
 
 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l11 level2 lfo15;
@@ -4159 +4164 @@
 style='mso-fareast-font-family:"Times New Roman"'>Max <span class=SpellE>Nc</span>/Nobs
 </span></b></span><span style='mso-bookmark:Reflection_List'><span
-style='mso-fareast-font-family:"Times New Roman"'>&#8211; 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
+style='mso-fareast-font-family:"Times New Roman"'>&#8211; 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
 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
 text-underline:none'><o:p></o:p></span></span></span></span></p>
@@ -4197 +4202 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Index
 Cell</span></b></span><span style='mso-bookmark:Reflection_List'><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; this starts the indexing
-process. Output will appear on the console and a progress bar dialog will
-appear which tracks trial volume. A <b style='mso-bidi-font-weight:normal'>Cancel</b>
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; this starts the
+indexing process. Output will appear on the console and a progress bar dialog
+will appear which tracks trial volume. A <b style='mso-bidi-font-weight:normal'>Cancel</b>
 button will terminate indexing; it may need to be pressed more than once to
 fully terminate the indexing process. Console output shows possible solutions
@@ -4250 +4255 @@
 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Make
 new phase</span></b></span><span style='mso-bookmark:Reflection_List'><span
-style='mso-fareast-font-family:"Times New Roman"'> &#8211; this creates a new phase
-from the selected unit cell and chosen space group. A dialog box will appear
-asking for a name for this phase. See the new entry under Phases and the new
-lattice parameters will be in the </span></span><a href="#General"><span
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; this creates a new
+phase from the selected unit cell and chosen space group. A dialog box will
+appear asking for a name for this phase. See the new entry under Phases and the
+new lattice parameters will be in the </span></span><a href="#General"><span
 style='mso-bookmark:Reflection_List'><span style='mso-fareast-font-family:"Times New Roman";
 color:windowtext;text-decoration:none;text-underline:none'>General</span></span><span
@@ -4417 +4422 @@
 
 <p class=MsoNormal>This window shows whatever comment lines found in a
-&#8220;metadata&#8221; file when the image data file was read by GSAS-II. If you
-are lucky, there will be useful information here (e.g. sample name, date
+&#8220;metadata&#8221; file when the image 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.</p>
@@ -4564 +4569 @@
 style='mso-fareast-font-family:"Times New Roman"'>Phase type &#8211; </span></b><span
 style='mso-fareast-font-family:"Times New Roman"'>this can only be set when
-there are no atoms in the Atoms page for this phase. Select it when the phase
-is initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+there are no atoms in the Atoms page for this phase. Select it when the phase is
+initialized.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -4574 +4579 @@
 </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"'> &#8211; 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
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; 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. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;).
 For space groups with a choice of origin (e.g. F d 3 m), GSAS-II always uses
@@ -4707 +4712 @@
 style='mso-list:Ignore'>3.<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"'>If there are entries in the Atoms page then the Elements 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
+"Times New Roman"'>If there are entries in the Atoms page then the Elements
+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
 class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
 
@@ -4732 +4737 @@
 to perform a Pawley refinement as opposed to a Rietveld refinement for this
 phase. <b style='mso-bidi-font-weight:normal'>NB:</b> you probably should clear
-the <b style='mso-bidi-font-weight:normal'>Histogram scale factor</b> refinement
-flag (found in <b style='mso-bidi-font-weight:normal'>Sample parameters</b> for
-the powder data set) as it cannot be refined simultaneously with the Pawley
-reflection intensities.<span class=MsoHyperlink><span style='color:windowtext'><o:p></o:p></span></span></span></p>
+the <b style='mso-bidi-font-weight:normal'>Histogram scale factor</b>
+refinement flag (found in <b style='mso-bidi-font-weight:normal'>Sample
+parameters</b> for the powder data set) as it cannot be refined simultaneously
+with the Pawley reflection intensities.<span class=MsoHyperlink><span
+style='color:windowtext'><o:p></o:p></span></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -4831 +4837 @@
 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
 "Times New Roman"'>k-Factor</span></b></span><span style='mso-fareast-font-family:
-"Times New Roman"'> &#8211; This is the threshold on the density map, all densities
-below this are charge flipped.</span></p>
+"Times New Roman"'> &#8211; This is the threshold on the density map, all
+densities below this are charge flipped.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -4885 +4891 @@
 color:windowtext;text-decoration:none;text-underline:none'>MC/SA algorithm</span></b></span><span
 class=MsoHyperlink><span style='mso-fareast-font-family:"Times New Roman";
-color:windowtext;text-decoration:none;text-underline:none'> &#8211; This
-selects the type of jump to be used for each MC/SA trial.<o:p></o:p></span></span></p>
+color:windowtext;text-decoration:none;text-underline:none'> &#8211; This selects
+the type of jump to be used for each MC/SA trial.<o:p></o:p></span></span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -4968 +4974 @@
 </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"'> &#8211; 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>
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; 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>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -4992 +4998 @@
 style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span
 style='mso-fareast-font-family:"Times New Roman"'> &#8211; 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 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:
+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 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:
 normal'>Draw Atoms</b> list is not updated by this change.<span
 class=MsoHyperlink><span style='color:windowtext;text-decoration:none;
@@ -5164 +5170 @@
 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; </span></span></span><![endif]><b
-style='mso-bidi-font-weight:normal'>Set atom refinement flags</b> &#8211; A
-popup dialog box appears; select refinement flags to apply to all selected
-atoms.</p>
+style='mso-bidi-font-weight:normal'>Set atom refinement flags</b> &#8211; A popup
+dialog box appears; select refinement flags to apply to all selected atoms.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -5240 +5245 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
 style='mso-bidi-font-weight:normal'>Atom Selection from table</b>: select
-individual atoms by a left click of the mouse when pointed at the left most column
-(atom numbers) of the atom display; hold down the Ctrl key to add to your
-selection; a previously selected atom will be deselected; hold down Shift key
-to select from last in list selected to current selection. A selected atom will
-be highlighted (in grey) and the atoms will be shown in green on the plot.
+individual atoms by a left click of the mouse when pointed at the left most
+column (atom numbers) of the atom display; hold down the Ctrl key to add to
+your selection; a previously selected atom will be deselected; hold down Shift
+key to select from last in list selected to current selection. A selected atom
+will be highlighted (in grey) and the atoms will be shown in green on the plot.
 Selection without the Ctrl key will clear previous selections. A double left
 click in the (empty) upper left box will select or deselect all atoms.</p>
@@ -5387 +5392 @@
 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'>View pt. dist.</b> - this calculates
-distance from view point to all selected draw atoms; result is given on the
-console window.</p>
+style='mso-bidi-font-weight:normal'>View pt. dist.</b> - this calculates distance
+from view point to all selected draw atoms; result is given on the console
+window.</p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -5459 +5464 @@
 (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>
@@ -5469 +5474 @@
 "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]><b style='mso-bidi-font-weight:normal'>Peak
-Selection from table</b>: select individual atoms by a left click of the mouse when
-pointed at the left most column (atom numbers) of the atom display; hold down
-the Ctrl key to add to your selection; a previously selected atom will be
+Selection from table</b>: select individual atoms by a left click of the mouse
+when pointed at the left most column (atom numbers) of the atom display; hold
+down the Ctrl key to add to your selection; a previously selected atom will be
 deselected; hold down Shift key to select from last in list selected to current
 selection. A selected atom will be highlighted (in grey) and the atoms will be
@@ -5579 +5584 @@
 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 &#8216;Pawley&#8217; (see </span><a href="#General"><span style='mso-bookmark:
+<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
+&#8216;Pawley&#8217; (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>
@@ -5629 +5634 @@
 clicking on the box or by selecting one and then selecting the column (a single
 click on the column heading). Then type &#8216;y&#8217; to set the refine flags
-or &#8216;n&#8217; to clear the flags. You should deselect those reflections that
-fall below the lower limit or above the upper limit of the powder pattern
+or &#8216;n&#8217; 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>
 
@@ -5669 +5674 @@
 
 <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>
@@ -5685 +5693 @@
 
 </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
@@ -5822 +5833 @@
 none;text-underline:none'><span style='mso-list:Ignore'>1.<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"'>Move the mouse cursor across
-the plot, the plot status line will show the cursor position in 2</span></span><span
+style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across the
+plot, the plot status line will show the cursor position in 2</span></span><span
 style='mso-bookmark:Pawley'><span style='font-family:Symbol;mso-fareast-font-family:
 "Times New Roman"'>Q</span></span><span style='mso-bookmark:Pawley'><span
@@ -5863 +5874 @@
 "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]><span class=GramE><b style='mso-bidi-font-weight:
-normal'>d</b></span><b style='mso-bidi-font-weight:normal'>: offset down</b> - for
-a waterfall plot of multiple powder profiles, increase the offset down. Does
-not apply if only one pattern.</span></p>
+normal'>d</b></span><b style='mso-bidi-font-weight:normal'>: offset down</b> -
+for a waterfall plot of multiple powder profiles, increase the offset down.
+Does not apply if only one pattern.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -5873 +5884 @@
 </span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
 normal'>u</b></span><b style='mso-bidi-font-weight:normal'>: offset up</b> -
-for a waterfall plot of multiple powder profiles, increase the offset up. Does
-not apply if only one pattern.</span></p>
+for a waterfall plot of multiple powder profiles, increase the offset up. Does not
+apply if only one pattern.</span></p>
 
 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
@@ -6020 +6031 @@
 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"'> &#8211; this turns off
-contouring and returns to a waterfall plot with any offsets applied.<span
+style='mso-fareast-font-family:"Times New Roman"'> &#8211; 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>
@@ -6245 +6256 @@
 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
+<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
@@ -6268 +6279 @@
 
 </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

trunk/help/gsasII_files/props011.xml

@@ -1 +1 @@
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