Changeset 2790 for Tutorials/SAsize

Timestamp:

Apr 19, 2017 10:17:54 AM (6 years ago)

Author:

vondreele

Message:

update SAsize tutorial

Location:

Tutorials/SAsize

Files:

• Small Angle Size Distribution.htm (modified) (19 diffs)
• Small Angle Size Distribution_files/image002.png (modified) (previous)
• Small Angle Size Distribution_files/image004.png (modified) (previous)

Tutorials/SAsize/Small Angle Size Distribution.htm

@@ -24 +24 @@
  <o:DocumentProperties>
   <o:Author>Von Dreele</o:Author>
-  <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>14</o:Revision>
-  <o:TotalTime>1917</o:TotalTime>
+  <o:LastAuthor>vondreele</o:LastAuthor>
+  <o:Revision>16</o:Revision>
+  <o:TotalTime>1960</o:TotalTime>
   <o:Created>2014-03-20T16:54:00Z</o:Created>
-  <o:LastSaved>2016-07-28T18:49:00Z</o:LastSaved>
+  <o:LastSaved>2017-04-19T15:00:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
-  <o:Words>1272</o:Words>
-  <o:Characters>7251</o:Characters>
+  <o:Words>1274</o:Words>
+  <o:Characters>7265</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
   <o:Lines>60</o:Lines>
   <o:Paragraphs>17</o:Paragraphs>
-  <o:CharactersWithSpaces>8506</o:CharactersWithSpaces>
+  <o:CharactersWithSpaces>8522</o:CharactersWithSpaces>
   <o:Version>16.00</o:Version>
  </o:DocumentProperties>
@@ -48 +48 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
+  <w:View>Print</w:View>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -660 +661 @@
  /* Font Definitions */
  @font-face
-        {font-family:"Cambria Math";
-        panose-1:2 4 5 3 5 4 6 3 2 4;
-        mso-font-charset:1;
-        mso-generic-font-family:roman;
-        mso-font-pitch:variable;
-        mso-font-signature:0 0 0 0 0 0;}
-@font-face
         {font-family:Calibri;
         panose-1:2 15 5 2 2 2 4 3 2 4;
@@ -672 +666 @@
         mso-generic-font-family:swiss;
         mso-font-pitch:variable;
-        mso-font-signature:-536870145 1073786111 1 0 415 0;}
+        mso-font-signature:-536859905 -1073732485 9 0 511 0;}
 @font-face
         {font-family:Tahoma;
@@ -1084 +1078 @@
         {mso-style-name:"";
         mso-spl-e:yes;}
+span.GramE
+        {mso-style-name:"";
+        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1179 +1176 @@
         mso-ascii-theme-font:minor-latin;
         mso-hansi-font-family:Calibri;
-        mso-hansi-theme-font:minor-latin;}
+        mso-hansi-theme-font:minor-latin;
+        mso-bidi-font-family:"Times New Roman";
+        mso-bidi-theme-font:minor-bidi;}
 table.MsoTableGrid
         {mso-style-name:"Table Grid";
@@ -1218 +1217 @@
 <p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
 this tutorial you will determine the size distribution of particles in an
-alumina polishing powder using data from a constant wavelength synchrotron X-ray
-USAXS instrument. You will use both Maximum Entropy (<span class=SpellE>MaxEnt</span>)
+alumina polishing powder using data from a constant wavelength synchrotron
+X-ray USAXS instrument. You will use both Maximum Entropy (<span class=SpellE>MaxEnt</span>)
 and Total Non-Negative Least Squares (TNNLS) methods assuming spherical
 particles. The data were collected from <span style='mso-fareast-font-family:
@@ -1238 +1237 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from q (A-1)
-step X-ray QIE data file</span></b> menu item to read the data file into
-GSAS-II. This read option is set to read three column small angle scattering
-data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated standard deviation
-in intensity; there may be a header with metadata information in the front of
-this file.<span style='mso-spacerun:yes'>  </span>Change the file directory to <span
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Import/Small Angle Data/from q (A-1) step X-ray QIE data file</span></b>
+menu item to read the data file into GSAS-II. This read option is set to read
+three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>,
+intensity and estimated standard deviation in intensity; there may be a header
+with metadata information in the front of this file.<span
+style='mso-spacerun:yes'>  </span>Change the file directory to <span
 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>SAsize</span></b></span><b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>/data</span></b><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+minor-latin;mso-bidi-theme-font:minor-latin'>SAsize</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>/data</span></b><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'> to find the file</span>; you will have to select the ‘<b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
@@ -1262 +1260 @@
 style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>alumina data.dat</span></b><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>alumina data.dat</span></b><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'> data</span> file in the first dialog and press <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
-mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
-Dialog box asking <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
+minor-latin'>Open</span></b>. There will be a Dialog box asking <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
 minor-latin'>Is this the file you want?</span></b> Press <b style='mso-bidi-font-weight:
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
-mso-bidi-theme-font:minor-latin'>Yes</span></b> button to proceed.</p>
+minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b>
+button to proceed.</p>
 
 <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
-minor-latin'>GSAS-II data tree</span></b> window will have several entries and
-the plot window will show the SASD pattern as a log-log plot of intensity vs. Q</p>
+mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
+tree</span></b> window will have several entries and the plot window will show
+the SASD pattern as a log-log plot of intensity vs. Q</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
@@ -1304 +1300 @@
  <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
  <o:lock v:ext="edit" aspectratio="t"/>
-</v:shapetype><v:shape id="Picture_x0020_15" o:spid="_x0000_i1038" type="#_x0000_t75"
- style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
+</v:shapetype><v:shape id="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
+ height:450pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Small%20Angle%20Size%20Distribution_files/image001.png"
   o:title=""/>
 </v:shape><![endif]--><![if !vml]><img width=700 height=600
-src="Small%20Angle%20Size%20Distribution_files/image001.png" v:shapes="Picture_x0020_15"><![endif]></span></p>
+src="Small%20Angle%20Size%20Distribution_files/image001.png" v:shapes="_x0000_i1038"><![endif]></span></p>
 
 <h2>Step 2: Set Limits</h2>
@@ -1340 +1336 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_2" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:225pt;
- height:195pt;visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_15" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:225pt;
+ height:96.75pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Small%20Angle%20Size%20Distribution_files/image002.png"
   o:title=""/>
-</v:shape><![endif]--><![if !vml]><img width=300 height=260
-src="Small%20Angle%20Size%20Distribution_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span><span
+</v:shape><![endif]--><![if !vml]><img width=300 height=129
+src="Small%20Angle%20Size%20Distribution_files/image002.png" v:shapes="Picture_x0020_15"><![endif]></span><span
 style='mso-spacerun:yes'> </span></p>
 
@@ -1368 +1364 @@
 under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
-data.dat</span></b> from the GSAS-II tree. Then do <b style='mso-bidi-font-weight:
-normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
-minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> <b
-style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+data.dat</span></b> from the GSAS-II tree. Then do <span class=GramE><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit</span></b></span><b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> substance/Load</span></b>
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>substance</span></b>
 from the menu; a popup window will appear with possible selections</p>
@@ -1393 +1391 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="Picture_x0020_16" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt;
- height:195pt;visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_16" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:280.5pt;
+ height:246pt;visibility:visible;mso-wrap-style:square'>
  <v:imagedata src="Small%20Angle%20Size%20Distribution_files/image004.png"
   o:title=""/>
-</v:shape><![endif]--><![if !vml]><img width=346 height=260
+</v:shape><![endif]--><![if !vml]><img width=374 height=328
 src="Small%20Angle%20Size%20Distribution_files/image004.png" v:shapes="Picture_x0020_16"><![endif]></span><span
 style='mso-spacerun:yes'> </span></p>
@@ -1403 +1401 @@
 <p class=MsoNormal><o:p>&nbsp;</o:p></p>
 
-<p class=MsoNormal>If desired you can load/add as many substances as you desire
-into this list; you can also delete any of them (except vacuum). The
-composition, volume occupied by the atoms in the composition and the density
-are given for each substance. These can each be edited; the other values will
-change accordingly. If your substance isn’t in the list, you can <b
+<p class=MsoNormal>If desired you can load/add as many substances as you want into
+this list; you can also delete any of them (except vacuum &amp; unit scatter).
+The composition, volume occupied by the atoms in the composition and the
+density are given for each substance. These can each be edited; the other
+values will change accordingly. If your substance isn’t in the list, you can <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
@@ -1416 +1414 @@
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
-Parameters</span></b> GSAS-II tree item if needed). The resonant scattering
-value is used for contrast calculations.</p>
+Parameters</span></b> GSAS-II tree item if needed). The real density value is
+used for contrast calculations.</p>
 
 <h2>Step 4: Set Sample parameters </h2>
@@ -1437 +1435 @@
 minor-latin;mso-hansi-theme-font:minor-latin'>vacuum</span></b>). The window
 will show at the bottom the computed contrast between alumina and vacuum
-without and with consideration of resonant scattering effects; the latter is used
-in subsequent calculations.</p>
+without and with consideration of resonant scattering effects; the latter is
+used in subsequent calculations.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1484 +1482 @@
 
 <p class=MsoNormal>Many selections are made by default for this analysis;
-however it is important that an appropriate value is selected for the background.
-From the high Q end of the data plot</p>
+however it is important that an appropriate value is selected for the
+background. From the high Q end of the data plot</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1503 +1501 @@
 mso-hansi-theme-font:minor-latin'>0.12</span></b>; enter that into the
 appropriate place in the data window. The plot will be redrawn showing a
-horizontal red line for the background. All the other parameters seem
-reasonable for a 1<sup>st</sup> attempt at a <span class=SpellE>MaxEnt</span>
-solution. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
-"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
-minor-latin'>Models/Fit</span></b>; the console window will show that the
-calculation did not converge and the <b style='mso-bidi-font-weight:normal'><span
-style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
-mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot has a
-“choppy” appearance.</p>
+horizontal red line for the background. All the other parameters seem reasonable
+for a 1<sup>st</sup> attempt at a <span class=SpellE>MaxEnt</span> solution. Do
+<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>;
+the console window will show that the calculation did not converge and the <b
+style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
+mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size
+Distribution</span></b> plot has a “choppy” appearance.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1630 +1627 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>2.0</span></b>; the IPG fit con<span
-style='mso-no-proof:yes'>verges in &lt;20 cycles and gives a smoother size distribution.<o:p></o:p></span></p>
+style='mso-no-proof:yes'>verges in &lt;20 cycles and gives a smoother size
+distribution.<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape