Changeset 1427


Ignore:
Timestamp:
Jul 21, 2014 4:42:33 PM (7 years ago)
Author:
vondreele
Message:

revised tutorial

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/Strain fitting of 2D data in GSAS-II.htm

    r1377 r1427  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>8</o:Revision>
    28   <o:TotalTime>386</o:TotalTime>
     27  <o:Revision>10</o:Revision>
     28  <o:TotalTime>660</o:TotalTime>
    2929  <o:Created>2014-01-13T15:39:00Z</o:Created>
    30   <o:LastSaved>2014-06-11T17:08:00Z</o:LastSaved>
    31   <o:Pages>6</o:Pages>
    32   <o:Words>890</o:Words>
    33   <o:Characters>5078</o:Characters>
     30  <o:LastSaved>2014-07-21T21:36:00Z</o:LastSaved>
     31  <o:Pages>8</o:Pages>
     32  <o:Words>1207</o:Words>
     33  <o:Characters>6880</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>42</o:Lines>
    36   <o:Paragraphs>11</o:Paragraphs>
    37   <o:CharactersWithSpaces>5957</o:CharactersWithSpaces>
     35  <o:Lines>57</o:Lines>
     36  <o:Paragraphs>16</o:Paragraphs>
     37  <o:CharactersWithSpaces>8071</o:CharactersWithSpaces>
    3838  <o:Version>14.00</o:Version>
    3939 </o:DocumentProperties>
     
    4848<!--[if gte mso 9]><xml>
    4949 <w:WordDocument>
    50   <w:Zoom>156</w:Zoom>
    5150  <w:SpellingState>Clean</w:SpellingState>
    5251  <w:GrammarState>Clean</w:GrammarState>
     
    974973<p class=MsoNormal>For this demo, data were collected with a MAR2300 area
    975974detector at APS 1-ID-C with a wavelength 0.12398 Å (100<span style='font-family:
    976 Symbol'>m</span>m diameter beam) from a 1.5mm square hot rolled steel test
    977 specimen; the front surface has been dusted with some CeO<sub>2</sub> to aid in
    978 calibration. Two images are used here; one is with no load on the sample and
    979 the other is with the sample under tension along the y-axis (vertical). The
    980 loading will distort the steel (ferrite &amp; austenite) diffraction rings and
    981 our purpose here is to characterize this distortion via a strain model by B. B.
    982 <span class=GramE>He &amp; K. L. Smith (Adv. in X-ray Anal. 41, 501, 1997).</span>
    983 Note that menu entries are listed in <b style='mso-bidi-font-weight:normal'><span
    984 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    985 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    986 minor-latin'>bold face</span></b> below as <b style='mso-bidi-font-weight:normal'><span
    987 style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    988 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    989 minor-latin'>Help/About GSAS-II</span></b>, which lists first the name of the
    990 menu (here <b style='mso-bidi-font-weight:normal'><span style='font-family:
    991 "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    992 minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Help</span></b>)
    993 and second the name of the entry in the menu (here <b style='mso-bidi-font-weight:
     975Symbol'>m</span>m diameter beam) from a 1.5mm square hot rolled steel test specimen;
     976the front surface has been dusted with some CeO<sub>2</sub> to aid in
     977calibration. Three images are used here; one is with no load on the sample and
     978the other two are with the sample under tension along the y-axis (vertical).
     979The loading will distort the steel (ferrite &amp; austenite) diffraction rings
     980and our purpose here is to characterize this distortion via a strain model by
     981B. B. <span class=GramE>He &amp; K. L. Smith (Adv. in X-ray Anal. 41, 501,
     9821997).</span> Note that menu entries are listed in <b style='mso-bidi-font-weight:
    994983normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    995984minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
    996 mso-bidi-theme-font:minor-latin'>About GSAS-II</span></b>).</p>
     985mso-bidi-theme-font:minor-latin'>bold face</span></b> below as <b
     986style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     987mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     988Calibri;mso-bidi-theme-font:minor-latin'>Help/About GSAS-II</span></b>, which
     989lists first the name of the menu (here <b style='mso-bidi-font-weight:normal'><span
     990style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     991mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
     992minor-latin'>Help</span></b>) and second the name of the entry in the menu
     993(here <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     994mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     995Calibri;mso-bidi-theme-font:minor-latin'>About GSAS-II</span></b>).</p>
    997996
    998997<h2>Step 1: Start GSAS-II and read the images</h2>
     
    10091008style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    10101009mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
    1011 minor-latin'>nx09_strain_001.mar2300</span></b> and <b style='mso-bidi-font-weight:
    1012 normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
    1013 minor-latin;mso-hansi-theme-font:minor-latin'>nx09_strain_012.mar2300</span></b>
     1010minor-latin'>nx09_strain_001.mar2300<span class=GramE>, <span style='font-family:
     1011"Times New Roman","serif";font-weight:normal'><span
     1012style='mso-spacerun:yes'> </span></span>nx09</span>_strain_006.mar2300 </span></b>and
     1013<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1014mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>nx09_strain_011.mar2300</span></b>
    10141015and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    10151016mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
     
    10391040 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    10401041 <o:lock v:ext="edit" aspectratio="t"/>
    1041 </v:shapetype><v:shape id="Picture_x0020_8" o:spid="_x0000_i1039" type="#_x0000_t75"
     1042</v:shapetype><v:shape id="Picture_x0020_8" o:spid="_x0000_i1045" type="#_x0000_t75"
    10421043 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
    10431044 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image001.png"
     
    10501051
    10511052<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1052  id="Picture_x0020_9" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:472.5pt;
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    1054  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
    1055   o:title=""/>
    1056 </v:shape><![endif]--><![if !vml]><img width=630 height=466
    1057 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
    1058 v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p>
     1053 id="_x0000_i1044" type="#_x0000_t75" style='width:472.5pt;height:388.5pt;
     1054 visibility:visible;mso-wrap-style:square'>
     1055 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image004.png"
     1056  o:title=""/>
     1057</v:shape><![endif]--><![if !vml]><img width=630 height=518
     1058src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image004.png"
     1059v:shapes="_x0000_i1044"><![endif]><o:p></o:p></span></p>
    10591060
    10601061<p class=MsoNormal><span style='mso-no-proof:yes'>for the controls.<o:p></o:p></span></p>
     
    10871088class=GramE>check</span> box</p>
    10881089
     1090<p class=MsoNormal>Set <b style='mso-bidi-font-weight:normal'><span
     1091style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1092mso-hansi-theme-font:minor-latin'>Pixel search range</span></b> to <b
     1093style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1094mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>5</span></b>;
     1095the rings are fairly widely separated will little chance for overlap.</p>
     1096
    10891097<p class=MsoNormal>Use Operations/Calibrate, select 5 points on the inner CeO<sub>2</sub>
    10901098ring with left mouse button and start calibration with right mouse button. The
     
    10921100
    10931101<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1094  id="Picture_x0020_10" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
     1102 id="Picture_x0020_26" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:525pt;
    10951103 height:450pt;visibility:visible;mso-wrap-style:square'>
    1096  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image003.png"
     1104 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
    10971105  o:title=""/>
    10981106</v:shape><![endif]--><![if !vml]><img width=700 height=600
    1099 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image003.png"
    1100 v:shapes="Picture_x0020_10"><![endif]></span></p>
     1107src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
     1108v:shapes="Picture_x0020_26"><![endif]></span></p>
    11011109
    11021110<p class=MsoNormal>I’ve zoomed in to show that the CeO2 rings are well fitted
     
    11051113
    11061114<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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    1108  visibility:visible;mso-wrap-style:square'>
    1109  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image016.png"
     1115 id="Picture_x0020_27" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:472.5pt;
     1116 height:388.5pt;visibility:visible;mso-wrap-style:square'>
     1117 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
    11101118  o:title=""/>
    11111119</v:shape><![endif]--><![if !vml]><img width=630 height=518
    1112 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image016.png"
    1113 v:shapes="_x0000_i1036"><![endif]></span><span
     1120src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
     1121v:shapes="Picture_x0020_27"><![endif]></span><span
    11141122style='mso-spacerun:yes'> </span></p>
    11151123
     
    11171125
    11181126<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1119  id="_x0000_i1035" type="#_x0000_t75" style='width:609.75pt;height:107.25pt;
    1120  visibility:visible;mso-wrap-style:square'>
    1121  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image017.png"
    1122   o:title=""/>
    1123 </v:shape><![endif]--><![if !vml]><img width=813 height=143
    1124 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image017.png"
    1125 v:shapes="_x0000_i1035"><![endif]></span></p>
     1127 id="Picture_x0020_28" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:495.75pt;
     1128 height:107.25pt;visibility:visible;mso-wrap-style:square'>
     1129 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
     1130  o:title=""/>
     1131</v:shape><![endif]--><![if !vml]><img width=661 height=143
     1132src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
     1133v:shapes="Picture_x0020_28"><![endif]></span></p>
    11261134
    11271135<p class=MsoNormal>You should now copy these results to the other image. Use <b
     
    11431151
    11441152<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1145  id="Picture_x0020_13" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:421.5pt;
     1153 id="Picture_x0020_13" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:421.5pt;
    11461154 height:91.5pt;visibility:visible;mso-wrap-style:square'>
    11471155 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image006.png"
     
    11791187
    11801188<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1181  id="Picture_x0020_14" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
     1189 id="Picture_x0020_14" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
    11821190 height:450pt;visibility:visible;mso-wrap-style:square'>
    11831191 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image007.png"
     
    11931201
    11941202<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1195  id="Picture_x0020_15" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
     1203 id="Picture_x0020_15" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
    11961204 height:450pt;visibility:visible;mso-wrap-style:square'>
    11971205 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image008.png"
     
    12071215
    12081216<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1209  id="Picture_x0020_16" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:569.25pt;
     1217 id="Picture_x0020_16" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:569.25pt;
    12101218 height:326.25pt;visibility:visible;mso-wrap-style:square'>
    12111219 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image009.png"
     
    12271235
    12281236<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1229  id="Picture_x0020_17" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
     1237 id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
    12301238 height:450pt;visibility:visible;mso-wrap-style:square'>
    12311239 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image010.png"
     
    12351243v:shapes="Picture_x0020_17"><![endif]></span></p>
    12361244
    1237 <p class=MsoNormal>We are now ready for the first strain fit; do Operations/Fit
    1238 stress/strain. Each ring will be fitted to the three strain tensor elements
    1239 (&#949;<sub>11</sub>, &#949;<sub>12</sub> &amp; &#949;<sub>22</sub>) that can
    1240 be determined from a single 2D diffraction ring. The resulting Strain plot now
    1241 shows curves calculated from the fitted tensor elements; these are very nearly
    1242 straight lines as expected from an unloaded sample.<span
     1245<p class=MsoNormal>We are now ready for the first strain fit; do <b
     1246style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1247mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Fit
     1248stress/strain</span></b>. Each ring will be fitted to the three strain tensor
     1249elements (&#949;<sub>11</sub>, &#949;<sub>12</sub> &amp; &#949;<sub>22</sub>)
     1250that can be determined from a single 2D diffraction ring. The resulting Strain
     1251plot now shows curves calculated from the fitted tensor elements; these are
     1252very nearly straight lines as expected from an unloaded sample.<span
    12431253style='mso-spacerun:yes'>  </span>In particular the austenite 111 line (~2.08Å)
    12441254is much flatter than the ferrite 200 line (~2.03Å); this reflects the sample
     
    12471257
    12481258<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1249  id="Picture_x0020_18" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:569.25pt;
    1250  height:332.25pt;visibility:visible;mso-wrap-style:square'>
    1251  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
    1252   o:title=""/>
    1253 </v:shape><![endif]--><![if !vml]><img width=759 height=443
    1254 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
    1255 v:shapes="Picture_x0020_18"><![endif]></span><span
     1259 id="Picture_x0020_19" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:569.25pt;
     1260 height:358.5pt;visibility:visible;mso-wrap-style:square'>
     1261 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image018.png"
     1262  o:title=""/>
     1263</v:shape><![endif]--><![if !vml]><img width=759 height=478
     1264src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image018.png"
     1265v:shapes="Picture_x0020_19"><![endif]></span><span
    12561266style='mso-spacerun:yes'> </span></p>
    12571267
     
    12761286
    12771287<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1278  id="Picture_x0020_19" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:569.25pt;
    1279  height:333.75pt;visibility:visible;mso-wrap-style:square'>
    1280  <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
    1281   o:title=""/>
    1282 </v:shape><![endif]--><![if !vml]><img width=759 height=445
    1283 src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
    1284 v:shapes="Picture_x0020_19"><![endif]></span></p>
     1288 id="Picture_x0020_20" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:569.25pt;
     1289 height:393pt;visibility:visible;mso-wrap-style:square'>
     1290 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image019.png"
     1291  o:title=""/>
     1292</v:shape><![endif]--><![if !vml]><img width=759 height=524
     1293src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image019.png"
     1294v:shapes="Picture_x0020_20"><![endif]></span></p>
    12851295
    12861296<p class=MsoNormal>Finally you want this set of d-zero values to be applied to
    1287 the image from the loaded sample; <span class=GramE>do</span> <b
     1297the images from the loaded sample; <span class=GramE>do</span> <b
    12881298style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    12891299mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Copy
    1290 stress/strain</span></b> to apply them to the other image.</p>
    1291 
    1292 <h2 style='tab-stops:2.3in'>Step 4: Fitting steel under load</h2>
    1293 
    1294 <p class=MsoNormal>In this step you are going to fit the strain tensor elements
    1295 to the steel test sample under an applied load. <span class=GramE>Do</span>
    1296 Operations/Fit stress/strain; the data window shows</p>
    1297 
    1298 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1299  id="Picture_x0020_20" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:569.25pt;
    1300  height:359.25pt;visibility:visible;mso-wrap-style:square'>
     1300stress/strain</span></b> to apply them to the other images.</p>
     1301
     1302<h2 style='tab-stops:2.3in'>Step 4: Sequential fitting of steel under load</h2>
     1303
     1304<p class=MsoNormal>For the result of the sequential fitting to make sense, we
     1305need to enter the applied load for each image. Unfortunately, this must be done
     1306by hand because the load value is not the image header. The loads are: 001: - 2.17425,
     1307006: 527.917 and 011: 1004.41 all in <span class=SpellE>neutons</span> (N).
     1308Each needs to be divided by the cross section area (2.25mm<sup>2</sup>) of the
     1309sample; GSAS-II will do this bit of math for you, and this gives the values in <span
     1310class=SpellE>MPa</span>. For image <b style='mso-bidi-font-weight:normal'><span
     1311style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1312mso-hansi-theme-font:minor-latin'>001</span></b> enter <b style='mso-bidi-font-weight:
     1313normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1314minor-latin;mso-hansi-theme-font:minor-latin'>-2.17425/2.25</span></b> in the <b
     1315style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1316mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample load
     1317(<span class=SpellE>MPa</span>)</span></b> box, <b style='mso-bidi-font-weight:
     1318normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1319minor-latin;mso-hansi-theme-font:minor-latin'>527.917/2.25</span></b> for image
     1320<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1321mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>006</span></b>
     1322and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1323mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1004.41/2.25</span></b>
     1324for image <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1325mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>011</span></b>.
     1326When done the data window for image 011 should look like</p>
     1327
     1328<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1329 id="Picture_x0020_23" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:569.25pt;
     1330 height:357pt;visibility:visible;mso-wrap-style:square'>
     1331 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image020.png"
     1332  o:title=""/>
     1333</v:shape><![endif]--><![if !vml]><img width=759 height=476
     1334src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image020.png"
     1335v:shapes="Picture_x0020_23"><![endif]></span></p>
     1336
     1337<p class=MsoNormal>Next, we do the sequential refinement. Do <b
     1338style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1339mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/All
     1340image fit</span></b> from the <b style='mso-bidi-font-weight:normal'><span
     1341style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1342mso-hansi-theme-font:minor-latin'>Stress/Strain</span></b> data window menu
     1343from any of the images. A popup window will show the selection of images</p>
     1344
     1345<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1346 id="_x0000_i1032" type="#_x0000_t75" style='width:240pt;height:232.5pt;
     1347 visibility:visible;mso-wrap-style:square'>
     1348 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image021.png"
     1349  o:title=""/>
     1350</v:shape><![endif]--><![if !vml]><img width=320 height=310
     1351src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image021.png"
     1352v:shapes="_x0000_i1032"><![endif]></span></p>
     1353
     1354<p class=MsoNormal><span class=GramE>Do</span> <b style='mso-bidi-font-weight:
     1355normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1356minor-latin;mso-hansi-theme-font:minor-latin'>Set All</span></b>; all will show
     1357a check box. Then do <b style='mso-bidi-font-weight:normal'><span
     1358style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1359mso-hansi-theme-font:minor-latin'>OK</span></b>; the sequential refinement will
     1360proceed doing each image in turn. The console will show detailed results of the
     1361fitting for each image with values and <span class=SpellE>esds</span> for each
     1362of the tensor values.</p>
     1363
     1364<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1365 id="Picture_x0020_25" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:609.75pt;
     1366 height:440.25pt;visibility:visible;mso-wrap-style:square'>
     1367 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image022.png"
     1368  o:title=""/>
     1369</v:shape><![endif]--><![if !vml]><img width=813 height=587
     1370src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image022.png"
     1371v:shapes="Picture_x0020_25"><![endif]></span></p>
     1372
     1373<p class=MsoNormal>I only show the bottom of the listing; ignore the ‘no phases”
     1374messages. The data window shows the results of the sequential fit.</p>
     1375
     1376<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1377 id="Picture_x0020_30" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
     1378 height:166.5pt;visibility:visible;mso-wrap-style:square'>
    13011379 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
    13021380  o:title=""/>
    1303 </v:shape><![endif]--><![if !vml]><img width=759 height=479
     1381</v:shape><![endif]--><![if !vml]><img width=700 height=222
    13041382src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
    1305 v:shapes="Picture_x0020_20"><![endif]></span></p>
    1306 
    1307 <p class=MsoNormal>The console window gives values and <span class=SpellE>esds</span></p>
    1308 
    1309 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1310  id="Picture_x0020_22" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:435.75pt;
    1311  height:341.25pt;visibility:visible;mso-wrap-style:square'>
     1383v:shapes="Picture_x0020_30"><![endif]></span></p>
     1384
     1385<p class=MsoNormal>This table is the results of the sequential fit to the three
     1386images. There are columns for each parameter; if you double click on a column
     1387heading (try a steel e11 or e22 – I selected <b style='mso-bidi-font-weight:
     1388normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1389minor-latin;mso-hansi-theme-font:minor-latin'>1:e22</span></b> from my list).
     1390The plot shows the variation of this parameter with image sequence; <span
     1391class=GramE>press ‘<b style='mso-bidi-font-weight:normal'><span
     1392style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1393mso-hansi-theme-font:minor-latin'>s</span></b>’</span> and select <b
     1394style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1395mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sample load</span></b>
     1396and the plot will show</p>
     1397
     1398<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1399 id="Picture_x0020_31" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
     1400 height:450pt;visibility:visible;mso-wrap-style:square'>
    13121401 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
    13131402  o:title=""/>
    1314 </v:shape><![endif]--><![if !vml]><img width=581 height=455
     1403</v:shape><![endif]--><![if !vml]><img width=700 height=600
    13151404src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
    1316 v:shapes="Picture_x0020_22"><![endif]></span></p>
    1317 
    1318 <p class=MsoNormal>I only show the bottom of the listing. The strain plot gives
    1319 (I zoomed in on just one line; ferrite 211).</p>
     1405v:shapes="Picture_x0020_31"><![endif]></span></p>
     1406
     1407<p class=MsoNormal>We can next fit this to a straight line. Select <b
     1408style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1409mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Parametric
     1410fit/Add equation</span></b>, select a variable in the 1<sup>st</sup> pull down
     1411box (I chose <b style='mso-bidi-font-weight:normal'><span style='font-family:
     1412"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     1413minor-latin'>1:e22</span></b>) and enter <b style='mso-bidi-font-weight:normal'><span
     1414style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1415mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b> in
     1416the equation box; the frame will change to give selections for <b
     1417style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1418mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b>,
     1419<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1420mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>
     1421&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1422mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>b</span></b>.
     1423Use <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1424mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Free</span></b>
     1425for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1426mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b>
     1427&amp; <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1428mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>b</span></b>
     1429and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1430mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global/Sample
     1431load</span></b> for <b style='mso-bidi-font-weight:normal'><span
     1432style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
     1433mso-hansi-theme-font:minor-latin'>x</span></b>. Then press <b style='mso-bidi-font-weight:
     1434normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1435minor-latin;mso-hansi-theme-font:minor-latin'>Fit</span></b>. The <b
     1436style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1437mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
     1438Editor</span></b> window should look like; press <b style='mso-bidi-font-weight:
     1439normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
     1440minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> to exit this
     1441window.</p>
     1442
     1443<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1444 id="Picture_x0020_33" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:465pt;
     1445 height:255pt;visibility:visible;mso-wrap-style:square'>
     1446 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image016.png"
     1447  o:title=""/>
     1448</v:shape><![endif]--><![if !vml]><img width=620 height=340
     1449src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image016.png"
     1450v:shapes="Picture_x0020_33"><![endif]></span></p>
     1451
     1452<p class=MsoNormal>And the console shows the parameters with <span
     1453class=SpellE>esds</span></p>
     1454
     1455<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1456 id="Picture_x0020_34" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:495.75pt;
     1457 height:107.25pt;visibility:visible;mso-wrap-style:square'>
     1458 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image023.png"
     1459  o:title=""/>
     1460</v:shape><![endif]--><![if !vml]><img width=661 height=143
     1461src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image023.png"
     1462v:shapes="Picture_x0020_34"><![endif]></span></p>
     1463
     1464<p class=MsoNormal>The plot will show the best fit line</p>
     1465
     1466<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
     1467 id="Picture_x0020_35" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:525pt;
     1468 height:450pt;visibility:visible;mso-wrap-style:square'>
     1469 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image024.png"
     1470  o:title=""/>
     1471</v:shape><![endif]--><![if !vml]><img width=700 height=600
     1472src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image024.png"
     1473v:shapes="Picture_x0020_35"><![endif]></span></p>
     1474
     1475<p class=MsoNormal>You can explore other features of this facility; pick more
     1476than one column (single click on the label) and the <span class=GramE><b
     1477style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Selected</span></b></span><b
     1479style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1480mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> cols/Plot
     1481selected</span></b> menu item to plot them together. </p>
     1482
     1483<p class=MsoNormal>To see the effect of stress on one diffraction line, select
     1484the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1485mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Strain</span></b>
     1486plot and zoom in on one line (I zoomed in on just one line; ferrite 211) from
     1487image 011.</p>
    13201488
    13211489<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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