Changeset 2390 for Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm

Timestamp:

Jul 28, 2016 2:18:10 PM (5 years ago)

Author:

vondreele

Message:

 

File:

• Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm (modified) (25 diffs)

Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm

@@ -25 +25 @@
   <o:Author>Von Dreele</o:Author>
   <o:LastAuthor>Von Dreele</o:LastAuthor>
-  <o:Revision>5</o:Revision>
-  <o:TotalTime>673</o:TotalTime>
+  <o:Revision>7</o:Revision>
+  <o:TotalTime>676</o:TotalTime>
   <o:Created>2015-02-12T20:52:00Z</o:Created>
-  <o:LastSaved>2015-03-20T13:39:00Z</o:LastSaved>
+  <o:LastSaved>2016-07-28T18:55:00Z</o:LastSaved>
   <o:Pages>1</o:Pages>
-  <o:Words>2182</o:Words>
-  <o:Characters>12442</o:Characters>
+  <o:Words>2181</o:Words>
+  <o:Characters>12437</o:Characters>
   <o:Company>Argonne National Laboratory</o:Company>
   <o:Lines>103</o:Lines>
   <o:Paragraphs>29</o:Paragraphs>
-  <o:CharactersWithSpaces>14595</o:CharactersWithSpaces>
-  <o:Version>15.00</o:Version>
+  <o:CharactersWithSpaces>14589</o:CharactersWithSpaces>
+  <o:Version>16.00</o:Version>
  </o:DocumentProperties>
  <o:OfficeDocumentSettings>
@@ -48 +48 @@
 <!--[if gte mso 9]><xml>
  <w:WordDocument>
-  <w:Zoom>116</w:Zoom>
   <w:SpellingState>Clean</w:SpellingState>
   <w:GrammarState>Clean</w:GrammarState>
@@ -1038 +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";
@@ -1071 +1084 @@
         {mso-style-name:"";
         mso-spl-e:yes;}
-span.GramE
-        {mso-style-name:"";
-        mso-gram-e:yes;}
 .MsoChpDefault
         {mso-style-type:export-only;
@@ -1138 +1148 @@
 <p class=MsoNormal>In this tutorial, data collected on the SNS instrument
 POWGEN, are used. The calibration process will use the fitted positions of all
-visible peaks in a pattern of NIST SRM 660b La<sup>10</sup>B<sub>6</sub>
+visible peaks in a pattern of NIST SRM 660b La<sup>11</sup>B<sub>6</sub>
 (a=4.15689Å) obtained in a multiple single peak fit. The positions will be
 compared to those expected from the known lattice parameters to establish the
@@ -1177 +1187 @@
 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/TOF Calibration</span></b> and then
+mso-bidi-theme-font:minor-latin'>TOF Calibration/data</span></b> and then
 select the file <b style='mso-bidi-font-weight:normal'><span style='font-family:
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
@@ -1190 +1200 @@
 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'>Yes</span></b><span style='mso-no-proof:yes'>. The file selection dialog
-will reappear; select the </span><b style='mso-bidi-font-weight:normal'><span
+yes'>Yes</span></b><span style='mso-no-proof:yes'>. The file selection dialog will
+reappear; select the </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'>PGHR_60-2015A.prm</span></b><span
 style='mso-no-proof:yes'> file. It contains the POWGEN instrument parameters
 provided along with the data; this file is in the old GSAS iparm file format
-and does not include all the instrument parameters used by GSAS-II. This is what
-we will be improving in this tutorial.<o:p></o:p></span></p>
+and does not include all the instrument parameters used by GSAS-II. This is
+what we will be improving in this tutorial.<o:p></o:p></span></p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
@@ -1461 +1471 @@
 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
  id="_x0000_i1025" type="#_x0000_t75" style='width:2in;height:18.75pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image012.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=192 height=25
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image013.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
@@ -1500 +1510 @@
 mso-hansi-theme-font:minor-latin'>difC</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'> <span class=GramE>Refine</span></span></b>?
-<span class=GramE>box</span> and 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'>Operations/Calibrate</span></b>; the plot
-will show the result of the calibration</p>
+minor-latin;mso-hansi-theme-font:minor-latin'> Refine</span></b>? box and 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'>Operations/Calibrate</span></b>;
+the plot will show the result of the calibration</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1522 +1531 @@
 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
 minor-latin'>Index Peak List</span></b>. Select that data item from the tree.
-The bad point is at the bottom of the table; uncheck the <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'>use</span></b></span>
-box for it. Go back to <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'>Instrument Parameters</span></b> and repeat <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'>Operations/Calibrate</span></b>;
-the plot will look a lot better.</p>
+The bad point is at the bottom of the table; uncheck 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'>use</span></b> box for it. Go
+back to <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'>Instrument
+Parameters</span></b> and repeat <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'>Operations/Calibrate</span></b>; the plot
+will look a lot better.</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -1635 +1644 @@
 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
 mso-hansi-theme-font:minor-latin'>No. <span class=SpellE>coeff</span>.</span></b>
-<span class=GramE>to</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'>10</span></b>. This will select 10 fixed
-position points across the pattern between the limits located in constant <span
-class=GramE>log(</span>TOF) steps; this puts more points at the short TOF end
+to <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'>10</span></b>.
+This will select 10 fixed position points across the pattern between the limits
+located in constant log(TOF) steps; this puts more points at the short TOF end
 of the pattern where the background is changing most rapidly. Return to <b
 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
@@ -1741 +1749 @@
 <p class=MsoNormal>You should realize that alpha largely affects the sharpness
 of the leading TOF edge of each peak; larger values mean sharper front edges.
-Beta terms affect the trailing TOF edge in the same way. Sig terms affect the Gaussian
-shape component of the peak profiles; larger values result in broader peaks.
-The coefficients describe the alpha, beta and sig values as follows:</p>
+Beta terms affect the trailing TOF edge in the same way. Sig terms affect the
+Gaussian shape component of the peak profiles; larger values result in broader
+peaks. The coefficients describe the alpha, beta and sig values as follows:</p>
 
 <p class=MsoNormal><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:
@@ -1761 +1769 @@
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  type="#_x0000_t75" style='width:48pt;height:19.5pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image027.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=64 height=26
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image028.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'>     </span><!--[if gte msEquation 12]><m:oMath><i
@@ -1806 +1814 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:123pt;height:24pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image029.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=164 height=32
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image030.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
 style='mso-spacerun:yes'> </span><!--[if gte msEquation 12]><m:oMath><m:sSup><m:sSupPr><span
@@ -1816 +1824 @@
    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
    normal'><span style='font-family:"Cambria Math",serif'><m:r><span
-    style='mso-spacerun:yes'>     </span><span
-    style='mso-spacerun:yes'> </span></m:r><m:r>&#963;</m:r></span></i></m:e><m:sup><i
+    style='mso-spacerun:yes'>   </span><span style='mso-spacerun:yes'> </span><span
+    style='mso-spacerun:yes'>  </span></m:r><m:r>&#963;</m:r></span></i></m:e><m:sup><i
    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i
  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:sSubSup><m:sSubSupPr><span
@@ -1870 +1878 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:183pt;height:25.5pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image031.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image033.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=244 height=34
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image032.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image034.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p>
 
@@ -1890 +1898 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:12pt;height:14.25pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image033.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image035.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=16 height=19
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image034.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image036.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-1 (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1905 +1913 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:12pt;height:14.25pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image035.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image037.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=16 height=19
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image036.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image038.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>), beta-q (<!--[if gte msEquation 12]><m:oMath><m:sSub><m:sSubPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1920 +1928 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:12pt;height:15.75pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image037.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image039.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=16 height=21
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image038.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image040.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-0 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1936 +1944 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image039.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image041.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=18 height=19
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image040.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image042.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-1 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1952 +1960 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image041.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image043.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=18 height=19
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image042.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image044.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>), sig-2 (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1968 +1976 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:13.5pt;height:14.25pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image043.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image045.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=18 height=19
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image044.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image046.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>) and sig-q (<!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
@@ -1984 +1992 @@
 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
  type="#_x0000_t75" style='width:13.5pt;height:15.75pt'>
- <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image045.png"
+ <v:imagedata src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image058.png"
   o:title="" chromakey="white"/>
 </v:shape><![endif]--><![if !vml]><img width=18 height=21
-src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image046.png"
+src="Calibration%20of%20a%20TOF%20powder%20diffractometer_files/image059.png"
 v:shapes="_x0000_i1025"><![endif]></span><![endif]>). Some of the values given
 above are probably not appropriate; looking at the difference curve it appears
@@ -2013 +2021 @@
 mso-hansi-theme-font:minor-latin'>sig-0</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'>sig-q</span></b> to the refinement,
-my residual improved slightly to <span class=SpellE>Rwp</span>=6.9%. A zoom
-view of some peaks around TOF~20000µs</p>
+minor-latin;mso-hansi-theme-font:minor-latin'>sig-q</span></b> to the
+refinement, my residual improved slightly to <span class=SpellE>Rwp</span>=6.9%.
+A zoom view of some peaks around TOF~20000µs</p>
 
 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
@@ -2147 +2155 @@
 and uncheck all the profile coefficient <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'>Refine?</span></b> <span class=GramE>boxes</span>;
-then check those you varied at the beginning of the tutorial (<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'>difC</span></b></span>, <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'>difA</span></b></span> &amp; <b
+mso-hansi-theme-font:minor-latin'>Refine?</span></b> boxes; then check those
+you varied at the beginning of the tutorial (<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'>difC</span></b></span>,
+<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'>difA</span></b></span> &amp; <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'>Zero</span></b>).