Changeset 2390 for Tutorials/SAsize

Timestamp:

Jul 28, 2016 2:18:10 PM (7 years ago)

Author:

vondreele

Message:

 

File:

• Tutorials/SAsize/Small Angle Size Distribution.htm (modified) (13 diffs)

Tutorials/SAsize/Small Angle Size Distribution.htm

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>13</o:Revision>
-  <o:TotalTime>1916</o:TotalTime>
+  <o:Revision>14</o:Revision>
+  <o:TotalTime>1917</o:TotalTime>
   <o:Created>2014-03-20T16:54:00Z</o:Created>
-  <o:LastSaved>2015-03-18T17:22:00Z</o:LastSaved>
+  <o:LastSaved>2016-07-28T18:49:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
   <o:Words>1272</o:Words>
-  <o:Characters>7256</o:Characters>
+  <o:Characters>7251</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
   <o:Lines>60</o:Lines>
   <o:Paragraphs>17</o:Paragraphs>
-  <o:CharactersWithSpaces>8511</o:CharactersWithSpaces>
-  <o:Version>15.00</o:Version>
+  <o:CharactersWithSpaces>8506</o:CharactersWithSpaces>
+  <o:Version>16.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -662 +662 @@
         {font-family:"Cambria Math";
         panose-1:2 4 5 3 5 4 6 3 2 4;
-        mso-font-charset:0;
+        mso-font-charset:1;
         mso-generic-font-family:roman;
         mso-font-pitch:variable;
-        mso-font-signature:-536870145 1107305727 0 0 415 0;}
+        mso-font-signature:0 0 0 0 0 0;}
 @font-face
         {font-family:Calibri;
@@ -1037 +1037 @@
         mso-hansi-font-family:"Courier New";
         mso-bidi-font-family:"Courier New";}
+p.msonormal0, li.msonormal0, div.msonormal0
+        {mso-style-name:msonormal;
+        mso-style-noshow:yes;
+        mso-style-priority:99;
+        mso-style-unhide:no;
+        mso-margin-top-alt:auto;
+        margin-right:0in;
+        mso-margin-bottom-alt:auto;
+        margin-left:0in;
+        mso-pagination:widow-orphan;
+        font-size:12.0pt;
+        font-family:"Times New Roman",serif;
+        mso-fareast-font-family:"Times New Roman";
+        mso-fareast-theme-font:minor-fareast;}
 span.DocumentMapChar
         {mso-style-name:"Document Map Char";
@@ -1070 +1084 @@
         {mso-style-name:"";
         mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1207 +1218 @@
 <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:
@@ -1228 +1239 @@
 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 <b
+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
+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'>exercises/<span class=SpellE>SAsize</span></span></b><span
+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:
@@ -1256 +1270 @@
 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 <span class=GramE><b style='mso-bidi-font-weight:normal'><span
+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:
-minor-latin'>Is</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'> this the file you want?</span></b> Press <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;mso-bidi-font-family:
-Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
-proceed.</p>
+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>
 
 <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
@@ -1330 +1340 @@
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
- id="_x0000_i1037" type="#_x0000_t75" style='width:225pt;height:195pt;
- visibility:visible;mso-wrap-style:square'>
+ id="Picture_x0020_2" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:225pt;
+ height:195pt;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="_x0000_i1037"><![endif]></span><span
+src="Small%20Angle%20Size%20Distribution_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span><span
 style='mso-spacerun:yes'> </span></p>
 
 <h2>Step 3 Select the scattering substances for your sample</h2>
 
-<p class=MsoNormal><span style='mso-no-proof:yes'>Two scsttering substances need
-to be defined for your sample to give the anticipated scattering contrast; in
-this case one is alumina and the other is “vacuum” (really air). Parameters for
-a number of substances are defined in the file </span><b style='mso-bidi-font-weight:
+<p class=MsoNormal><span style='mso-no-proof:yes'>Two scsttering substances
+need to be defined for your sample to give the anticipated scattering contrast;
+in this case one is alumina and the other is “vacuum” (really air). Parameters
+for a number of substances are defined in the file </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-no-proof:yes'>Substances.py</span></b><span
@@ -1427 +1437 @@
 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
@@ -1474 +1484 @@
 
 <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
@@ -1492 +1502 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 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>
+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>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1619 +1630 @@
 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
@@ -1653 +1663 @@
 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
 minor-latin;mso-hansi-theme-font:minor-latin'>0-4</span></b>, that changes the
-data weighting to <span class=SpellE><span class=GramE>Q<sup>p</sup></span></span>.
-This can change the convergence of the IPG method and yield improved results if
-one is unsuccessful with the default settings. I got a nice fit with a <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'>Q power
-weight</span></b> of <b style='mso-bidi-font-weight:normal'><span
+data weighting to <span class=SpellE>Q<sup>p</sup></span>. This can change the
+convergence of the IPG method and yield improved results if one is unsuccessful
+with the default settings. I got a nice fit with a <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'>Q power weight</span></b> of <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'>3</span></b>
+and <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'>Error
+multiplier</span></b> of <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'>3</span></b> and <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'>Error multiplier</span></b> of <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'>2.0</span></b>.</p>
-
-<p class=MsoNormal>You should save this GSAS-II project as it will be used in the
-tutorial for fitting small angle scattering data; I used <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'>alumina.gpx</span></b></span>.</p>
+mso-hansi-theme-font:minor-latin'>2.0</span></b>.</p>
+
+<p class=MsoNormal>You should save this GSAS-II project as it will be used in
+the tutorial for fitting small angle scattering data; I used <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'>alumina.gpx</span></b></span>.</p>
 
 </div>