source: trunk/help/Strain fitting of 2D data in GSAS-II.htm @ 1427

Last change on this file since 1427 was 1427, checked in by vondreele, 7 years ago

revised tutorial

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384        mso-margin-top-alt:auto;
385        margin-right:0in;
386        mso-margin-bottom-alt:auto;
387        margin-left:0in;
388        mso-pagination:widow-orphan;
389        mso-outline-level:1;
390        font-size:24.0pt;
391        font-family:"Times New Roman","serif";
392        mso-fareast-font-family:"Times New Roman";
393        mso-fareast-theme-font:minor-fareast;
394        font-weight:bold;}
395h2
396        {mso-style-noshow:yes;
397        mso-style-priority:9;
398        mso-style-qformat:yes;
399        mso-style-link:"Heading 2 Char";
400        mso-margin-top-alt:auto;
401        margin-right:0in;
402        mso-margin-bottom-alt:auto;
403        margin-left:0in;
404        mso-pagination:widow-orphan;
405        mso-outline-level:2;
406        font-size:18.0pt;
407        font-family:"Times New Roman","serif";
408        mso-fareast-font-family:"Times New Roman";
409        mso-fareast-theme-font:minor-fareast;
410        font-weight:bold;}
411h3
412        {mso-style-noshow:yes;
413        mso-style-priority:9;
414        mso-style-qformat:yes;
415        mso-style-link:"Heading 3 Char";
416        mso-margin-top-alt:auto;
417        margin-right:0in;
418        mso-margin-bottom-alt:auto;
419        margin-left:0in;
420        mso-pagination:widow-orphan;
421        mso-outline-level:3;
422        font-size:13.5pt;
423        font-family:"Times New Roman","serif";
424        mso-fareast-font-family:"Times New Roman";
425        mso-fareast-theme-font:minor-fareast;
426        font-weight:bold;}
427h4
428        {mso-style-noshow:yes;
429        mso-style-priority:9;
430        mso-style-qformat:yes;
431        mso-style-link:"Heading 4 Char";
432        mso-style-next:Normal;
433        margin-top:10.0pt;
434        margin-right:0in;
435        margin-bottom:0in;
436        margin-left:0in;
437        margin-bottom:.0001pt;
438        mso-pagination:widow-orphan lines-together;
439        page-break-after:avoid;
440        mso-outline-level:4;
441        font-size:13.0pt;
442        font-family:"Cambria","serif";
443        mso-ascii-font-family:Cambria;
444        mso-ascii-theme-font:major-latin;
445        mso-fareast-font-family:"Times New Roman";
446        mso-fareast-theme-font:major-fareast;
447        mso-hansi-font-family:Cambria;
448        mso-hansi-theme-font:major-latin;
449        mso-bidi-font-family:"Times New Roman";
450        mso-bidi-theme-font:major-bidi;
451        color:#4F81BD;
452        mso-themecolor:accent1;
453        font-weight:bold;
454        font-style:italic;}
455h5
456        {mso-style-noshow:yes;
457        mso-style-priority:9;
458        mso-style-qformat:yes;
459        mso-style-link:"Heading 5 Char";
460        mso-margin-top-alt:auto;
461        margin-right:0in;
462        mso-margin-bottom-alt:auto;
463        margin-left:0in;
464        mso-pagination:widow-orphan;
465        mso-outline-level:5;
466        font-size:12.0pt;
467        font-family:"Times New Roman","serif";
468        mso-fareast-font-family:"Times New Roman";
469        mso-fareast-theme-font:minor-fareast;
470        color:#4F4FFF;
471        font-weight:bold;}
472p.MsoTitle, li.MsoTitle, div.MsoTitle
473        {mso-style-noshow:yes;
474        mso-style-priority:10;
475        mso-style-unhide:no;
476        mso-style-qformat:yes;
477        mso-style-link:"Title Char";
478        mso-style-next:Normal;
479        margin-top:0in;
480        margin-right:0in;
481        margin-bottom:15.0pt;
482        margin-left:0in;
483        mso-add-space:auto;
484        mso-pagination:widow-orphan;
485        border:none;
486        mso-border-bottom-alt:solid #4F81BD 1.0pt;
487        mso-border-bottom-themecolor:accent1;
488        padding:0in;
489        mso-padding-alt:0in 0in 4.0pt 0in;
490        font-size:26.0pt;
491        font-family:"Cambria","serif";
492        mso-ascii-font-family:Cambria;
493        mso-ascii-theme-font:major-latin;
494        mso-fareast-font-family:"Times New Roman";
495        mso-fareast-theme-font:major-fareast;
496        mso-hansi-font-family:Cambria;
497        mso-hansi-theme-font:major-latin;
498        mso-bidi-font-family:"Times New Roman";
499        mso-bidi-theme-font:major-bidi;
500        color:#17365D;
501        mso-themecolor:text2;
502        mso-themeshade:191;
503        letter-spacing:.25pt;
504        mso-font-kerning:14.0pt;}
505p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
506        {mso-style-noshow:yes;
507        mso-style-priority:10;
508        mso-style-unhide:no;
509        mso-style-qformat:yes;
510        mso-style-link:"Title Char";
511        mso-style-next:Normal;
512        mso-style-type:export-only;
513        margin:0in;
514        margin-bottom:.0001pt;
515        mso-add-space:auto;
516        mso-pagination:widow-orphan;
517        border:none;
518        mso-border-bottom-alt:solid #4F81BD 1.0pt;
519        mso-border-bottom-themecolor:accent1;
520        padding:0in;
521        mso-padding-alt:0in 0in 4.0pt 0in;
522        font-size:26.0pt;
523        font-family:"Cambria","serif";
524        mso-ascii-font-family:Cambria;
525        mso-ascii-theme-font:major-latin;
526        mso-fareast-font-family:"Times New Roman";
527        mso-fareast-theme-font:major-fareast;
528        mso-hansi-font-family:Cambria;
529        mso-hansi-theme-font:major-latin;
530        mso-bidi-font-family:"Times New Roman";
531        mso-bidi-theme-font:major-bidi;
532        color:#17365D;
533        mso-themecolor:text2;
534        mso-themeshade:191;
535        letter-spacing:.25pt;
536        mso-font-kerning:14.0pt;}
537p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
538        {mso-style-noshow:yes;
539        mso-style-priority:10;
540        mso-style-unhide:no;
541        mso-style-qformat:yes;
542        mso-style-link:"Title Char";
543        mso-style-next:Normal;
544        mso-style-type:export-only;
545        margin:0in;
546        margin-bottom:.0001pt;
547        mso-add-space:auto;
548        mso-pagination:widow-orphan;
549        border:none;
550        mso-border-bottom-alt:solid #4F81BD 1.0pt;
551        mso-border-bottom-themecolor:accent1;
552        padding:0in;
553        mso-padding-alt:0in 0in 4.0pt 0in;
554        font-size:26.0pt;
555        font-family:"Cambria","serif";
556        mso-ascii-font-family:Cambria;
557        mso-ascii-theme-font:major-latin;
558        mso-fareast-font-family:"Times New Roman";
559        mso-fareast-theme-font:major-fareast;
560        mso-hansi-font-family:Cambria;
561        mso-hansi-theme-font:major-latin;
562        mso-bidi-font-family:"Times New Roman";
563        mso-bidi-theme-font:major-bidi;
564        color:#17365D;
565        mso-themecolor:text2;
566        mso-themeshade:191;
567        letter-spacing:.25pt;
568        mso-font-kerning:14.0pt;}
569p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
570        {mso-style-noshow:yes;
571        mso-style-priority:10;
572        mso-style-unhide:no;
573        mso-style-qformat:yes;
574        mso-style-link:"Title Char";
575        mso-style-next:Normal;
576        mso-style-type:export-only;
577        margin-top:0in;
578        margin-right:0in;
579        margin-bottom:15.0pt;
580        margin-left:0in;
581        mso-add-space:auto;
582        mso-pagination:widow-orphan;
583        border:none;
584        mso-border-bottom-alt:solid #4F81BD 1.0pt;
585        mso-border-bottom-themecolor:accent1;
586        padding:0in;
587        mso-padding-alt:0in 0in 4.0pt 0in;
588        font-size:26.0pt;
589        font-family:"Cambria","serif";
590        mso-ascii-font-family:Cambria;
591        mso-ascii-theme-font:major-latin;
592        mso-fareast-font-family:"Times New Roman";
593        mso-fareast-theme-font:major-fareast;
594        mso-hansi-font-family:Cambria;
595        mso-hansi-theme-font:major-latin;
596        mso-bidi-font-family:"Times New Roman";
597        mso-bidi-theme-font:major-bidi;
598        color:#17365D;
599        mso-themecolor:text2;
600        mso-themeshade:191;
601        letter-spacing:.25pt;
602        mso-font-kerning:14.0pt;}
603a:link, span.MsoHyperlink
604        {mso-style-noshow:yes;
605        mso-style-priority:99;
606        color:blue;
607        text-decoration:underline;
608        text-underline:single;}
609a:visited, span.MsoHyperlinkFollowed
610        {mso-style-noshow:yes;
611        mso-style-priority:99;
612        color:purple;
613        text-decoration:underline;
614        text-underline:single;}
615p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
616        {mso-style-noshow:yes;
617        mso-style-priority:99;
618        mso-style-link:"Document Map Char";
619        margin:0in;
620        margin-bottom:.0001pt;
621        mso-pagination:widow-orphan;
622        font-size:8.0pt;
623        font-family:"Tahoma","sans-serif";
624        mso-fareast-font-family:"Times New Roman";
625        mso-fareast-theme-font:minor-fareast;}
626p
627        {mso-style-noshow:yes;
628        mso-style-priority:99;
629        mso-margin-top-alt:auto;
630        margin-right:0in;
631        mso-margin-bottom-alt:auto;
632        margin-left:0in;
633        mso-pagination:widow-orphan;
634        font-size:12.0pt;
635        font-family:"Times New Roman","serif";
636        mso-fareast-font-family:"Times New Roman";
637        mso-fareast-theme-font:minor-fareast;}
638pre
639        {mso-style-noshow:yes;
640        mso-style-priority:99;
641        mso-style-link:"HTML Preformatted Char";
642        margin:0in;
643        margin-bottom:.0001pt;
644        mso-pagination:widow-orphan;
645        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
646        font-size:10.0pt;
647        font-family:"Courier New";
648        mso-fareast-font-family:"Times New Roman";}
649p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
650        {mso-style-noshow:yes;
651        mso-style-priority:99;
652        mso-style-link:"Balloon Text Char";
653        margin:0in;
654        margin-bottom:.0001pt;
655        mso-pagination:widow-orphan;
656        font-size:8.0pt;
657        font-family:"Tahoma","sans-serif";
658        mso-fareast-font-family:"Times New Roman";
659        mso-fareast-theme-font:minor-fareast;}
660span.MsoPlaceholderText
661        {mso-style-noshow:yes;
662        mso-style-priority:99;
663        mso-style-unhide:no;
664        color:gray;}
665p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
666        {mso-style-noshow:yes;
667        mso-style-priority:1;
668        mso-style-unhide:no;
669        mso-style-qformat:yes;
670        mso-style-parent:"";
671        margin:0in;
672        margin-bottom:.0001pt;
673        mso-pagination:widow-orphan;
674        font-size:12.0pt;
675        font-family:"Times New Roman","serif";
676        mso-fareast-font-family:"Times New Roman";
677        mso-fareast-theme-font:minor-fareast;}
678p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
679        {mso-style-noshow:yes;
680        mso-style-priority:34;
681        mso-style-unhide:no;
682        mso-style-qformat:yes;
683        margin-top:0in;
684        margin-right:0in;
685        margin-bottom:0in;
686        margin-left:.5in;
687        margin-bottom:.0001pt;
688        mso-add-space:auto;
689        mso-pagination:widow-orphan;
690        font-size:12.0pt;
691        font-family:"Times New Roman","serif";
692        mso-fareast-font-family:"Times New Roman";
693        mso-fareast-theme-font:minor-fareast;}
694p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
695        {mso-style-noshow:yes;
696        mso-style-priority:34;
697        mso-style-unhide:no;
698        mso-style-qformat:yes;
699        mso-style-type:export-only;
700        margin-top:0in;
701        margin-right:0in;
702        margin-bottom:0in;
703        margin-left:.5in;
704        margin-bottom:.0001pt;
705        mso-add-space:auto;
706        mso-pagination:widow-orphan;
707        font-size:12.0pt;
708        font-family:"Times New Roman","serif";
709        mso-fareast-font-family:"Times New Roman";
710        mso-fareast-theme-font:minor-fareast;}
711p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
712        {mso-style-noshow:yes;
713        mso-style-priority:34;
714        mso-style-unhide:no;
715        mso-style-qformat:yes;
716        mso-style-type:export-only;
717        margin-top:0in;
718        margin-right:0in;
719        margin-bottom:0in;
720        margin-left:.5in;
721        margin-bottom:.0001pt;
722        mso-add-space:auto;
723        mso-pagination:widow-orphan;
724        font-size:12.0pt;
725        font-family:"Times New Roman","serif";
726        mso-fareast-font-family:"Times New Roman";
727        mso-fareast-theme-font:minor-fareast;}
728p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
729        {mso-style-noshow:yes;
730        mso-style-priority:34;
731        mso-style-unhide:no;
732        mso-style-qformat:yes;
733        mso-style-type:export-only;
734        margin-top:0in;
735        margin-right:0in;
736        margin-bottom:0in;
737        margin-left:.5in;
738        margin-bottom:.0001pt;
739        mso-add-space:auto;
740        mso-pagination:widow-orphan;
741        font-size:12.0pt;
742        font-family:"Times New Roman","serif";
743        mso-fareast-font-family:"Times New Roman";
744        mso-fareast-theme-font:minor-fareast;}
745span.MsoIntenseReference
746        {mso-style-priority:32;
747        mso-style-unhide:no;
748        mso-style-qformat:yes;
749        font-variant:small-caps;
750        color:#C0504D;
751        mso-themecolor:accent2;
752        letter-spacing:.25pt;
753        font-weight:bold;
754        text-decoration:underline;
755        text-underline:single;}
756span.Heading1Char
757        {mso-style-name:"Heading 1 Char";
758        mso-style-priority:9;
759        mso-style-unhide:no;
760        mso-style-locked:yes;
761        mso-style-link:"Heading 1";
762        mso-ansi-font-size:24.0pt;
763        mso-bidi-font-size:24.0pt;
764        font-family:"Times New Roman","serif";
765        mso-ascii-font-family:"Times New Roman";
766        mso-fareast-font-family:"Times New Roman";
767        mso-fareast-theme-font:minor-fareast;
768        mso-hansi-font-family:"Times New Roman";
769        mso-bidi-font-family:"Times New Roman";
770        mso-font-kerning:18.0pt;
771        font-weight:bold;}
772span.Heading2Char
773        {mso-style-name:"Heading 2 Char";
774        mso-style-noshow:yes;
775        mso-style-priority:9;
776        mso-style-unhide:no;
777        mso-style-locked:yes;
778        mso-style-link:"Heading 2";
779        mso-ansi-font-size:18.0pt;
780        mso-bidi-font-size:18.0pt;
781        font-family:"Times New Roman","serif";
782        mso-ascii-font-family:"Times New Roman";
783        mso-fareast-font-family:"Times New Roman";
784        mso-fareast-theme-font:minor-fareast;
785        mso-hansi-font-family:"Times New Roman";
786        mso-bidi-font-family:"Times New Roman";
787        font-weight:bold;}
788span.Heading3Char
789        {mso-style-name:"Heading 3 Char";
790        mso-style-noshow:yes;
791        mso-style-priority:9;
792        mso-style-unhide:no;
793        mso-style-locked:yes;
794        mso-style-link:"Heading 3";
795        mso-ansi-font-size:13.5pt;
796        mso-bidi-font-size:13.5pt;
797        font-family:"Times New Roman","serif";
798        mso-ascii-font-family:"Times New Roman";
799        mso-fareast-font-family:"Times New Roman";
800        mso-fareast-theme-font:minor-fareast;
801        mso-hansi-font-family:"Times New Roman";
802        mso-bidi-font-family:"Times New Roman";
803        font-weight:bold;}
804span.Heading4Char
805        {mso-style-name:"Heading 4 Char";
806        mso-style-noshow:yes;
807        mso-style-priority:9;
808        mso-style-unhide:no;
809        mso-style-locked:yes;
810        mso-style-link:"Heading 4";
811        mso-ansi-font-size:13.0pt;
812        mso-bidi-font-size:13.0pt;
813        font-family:"Cambria","serif";
814        mso-ascii-font-family:Cambria;
815        mso-ascii-theme-font:major-latin;
816        mso-fareast-font-family:"Times New Roman";
817        mso-fareast-theme-font:major-fareast;
818        mso-hansi-font-family:Cambria;
819        mso-hansi-theme-font:major-latin;
820        mso-bidi-font-family:"Times New Roman";
821        mso-bidi-theme-font:major-bidi;
822        color:#4F81BD;
823        mso-themecolor:accent1;
824        font-weight:bold;
825        font-style:italic;}
826span.Heading5Char
827        {mso-style-name:"Heading 5 Char";
828        mso-style-noshow:yes;
829        mso-style-priority:9;
830        mso-style-unhide:no;
831        mso-style-locked:yes;
832        mso-style-link:"Heading 5";
833        mso-ansi-font-size:12.0pt;
834        mso-bidi-font-size:12.0pt;
835        font-family:"Times New Roman","serif";
836        mso-ascii-font-family:"Times New Roman";
837        mso-fareast-font-family:"Times New Roman";
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966
967<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
968
969<div class=WordSection1>
970
971<h1>Strain fitting of 2D data in GSAS-II</h1>
972
973<p class=MsoNormal>For this demo, data were collected with a MAR2300 area
974detector at APS 1-ID-C with a wavelength 0.12398 Å (100<span style='font-family:
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:
983normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
984minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
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>
996
997<h2>Step 1: Start GSAS-II and read the images</h2>
998
999<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1000style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1001mso-hansi-theme-font:minor-latin'>Data/Read image data</span></b> menu item to
1002read the data file into a new GSAS-II project. A file selection dialog will be
1003shown; its appearance will depend on your OS. Change the search directory to <b
1004style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1005mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1006Calibri;mso-bidi-theme-font:minor-latin'>/Exercises/strain-texture/nx09_strain_data</span></b>
1007and then select the files <b style='mso-bidi-font-weight:normal'><span
1008style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1009mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
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>
1015and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1016mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1017Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>.<span
1018style='mso-no-proof:yes'> Select the 1<sup>st</sup> image (001) from the
1019GSAS-II data tree and select Image Controls; adjust the Max intensity so that
1020the CeO2 rings are visible (~1500 will suffice). You should see:<o:p></o:p></span></p>
1021
1022<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1023 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1025 <v:stroke joinstyle="miter"/>
1026 <v:formulas>
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1028  <v:f eqn="sum @0 1 0"/>
1029  <v:f eqn="sum 0 0 @1"/>
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1031  <v:f eqn="prod @3 21600 pixelWidth"/>
1032  <v:f eqn="prod @3 21600 pixelHeight"/>
1033  <v:f eqn="sum @0 0 1"/>
1034  <v:f eqn="prod @6 1 2"/>
1035  <v:f eqn="prod @7 21600 pixelWidth"/>
1036  <v:f eqn="sum @8 21600 0"/>
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1038  <v:f eqn="sum @10 21600 0"/>
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1044 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image001.png"
1045  o:title=""/>
1046</v:shape><![endif]--><![if !vml]><img width=700 height=600
1047src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image001.png"
1048v:shapes="Picture_x0020_8"><![endif]><o:p></o:p></span></p>
1049
1050<p class=MsoNormal><span style='mso-no-proof:yes'>For the image and <o:p></o:p></span></p>
1051
1052<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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>
1060
1061<p class=MsoNormal><span style='mso-no-proof:yes'>for the controls.<o:p></o:p></span></p>
1062
1063<h2>Step 2: Calibration of the detector position</h2>
1064
1065<p class=MsoNormal>This image is a superposition of three diffraction patterns;
1066CeO<sub>2</sub> <span class=SpellE>calibrant</span>, ferrite (BCC iron) and
1067austenite (FCC iron). Consequently the calibration needs to be done with some
1068care; the steps are as follows:</p>
1069
1070<p class=MsoNormal>Set the wavelength to <b style='mso-bidi-font-weight:normal'><span
1071style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1072mso-hansi-theme-font:minor-latin'>0.12398</span></b></p>
1073
1074<p class=MsoNormal>Set the <span class=SpellE>calibrant</span> to <b
1075style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1076mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>CeO2 SRM674b<o:p></o:p></span></b></p>
1077
1078<p class=MsoNormal>Set <b style='mso-bidi-font-weight:normal'><span
1079style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1080mso-hansi-theme-font:minor-latin'>Min <span class=SpellE>calib</span> d-spacing</span></b>
1081to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1082mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.09</span></b>;
1083this avoids picking a CeO<sub>2</sub> ring that overlaps one of the steel ones.</p>
1084
1085<p class=MsoNormal>Pick <b style='mso-bidi-font-weight:normal'><span
1086style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1087mso-hansi-theme-font:minor-latin'>Show ring picks?</span></b> <span
1088class=GramE>check</span> box</p>
1089
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
1097<p class=MsoNormal>Use Operations/Calibrate, select 5 points on the inner CeO<sub>2</sub>
1098ring with left mouse button and start calibration with right mouse button. The
1099result should be something like</p>
1100
1101<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1103 height:450pt;visibility:visible;mso-wrap-style:square'>
1104 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
1105  o:title=""/>
1106</v:shape><![endif]--><![if !vml]><img width=700 height=600
1107src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
1108v:shapes="Picture_x0020_26"><![endif]></span></p>
1109
1110<p class=MsoNormal>I’ve zoomed in to show that the CeO2 rings are well fitted
1111and don’t overlap any of the more intense steel ones. The calibration results
1112show on the data window</p>
1113
1114<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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"
1118  o:title=""/>
1119</v:shape><![endif]--><![if !vml]><img width=630 height=518
1120src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
1121v:shapes="Picture_x0020_27"><![endif]></span><span
1122style='mso-spacerun:yes'> </span></p>
1123
1124<p class=MsoNormal><span class=GramE>and</span> the console</p>
1125
1126<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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>
1134
1135<p class=MsoNormal>You should now copy these results to the other image. Use <b
1136style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1137mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Copy
1138controls</span></b>; a popup dialog will appear; select <b style='mso-bidi-font-weight:
1139normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1140minor-latin;mso-hansi-theme-font:minor-latin'>All IMG</span></b> and <b
1141style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1142mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.</p>
1143
1144<h2 style='tab-stops:2.3in'>Step 3: Fitting unstrained steel</h2>
1145
1146<p class=MsoNormal>In this step you will select the diffraction rings to be
1147analyzed for strain; it is best to pick a few CeO<sub>2</sub> ones as well to
1148confirm that the sample position does not shift during loading. Select the
1149first image (001) and the Stress/Strain tree item. An empty plot (“Strain”)
1150will appear and the initial Stress/Strain data window</p>
1151
1152<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1153 id="Picture_x0020_13" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:421.5pt;
1154 height:91.5pt;visibility:visible;mso-wrap-style:square'>
1155 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image006.png"
1156  o:title=""/>
1157</v:shape><![endif]--><![if !vml]><img width=562 height=122
1158src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image006.png"
1159v:shapes="Picture_x0020_13"><![endif]></span><span
1160style='mso-spacerun:yes'> </span></p>
1161
1162<p class=MsoNormal>Change <b style='mso-bidi-font-weight:normal'><span
1163style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1164mso-hansi-theme-font:minor-latin'>Sample delta-z</span></b> to <b
1165style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1166mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-0.75</span></b>
1167since center of the steel sample is that much closer to the detector than the
1168CeO<sub>2</sub> <span class=SpellE>calibrant</span>. Then select <b
1169style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1170mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2D Powder
1171Image</span></b> and follow the instruction to add a ring; press <span
1172class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1173"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1174minor-latin'>a</span></b> and</span> use the mouse left button to select a
1175ring. Do as many as you like but be sure to select some CeO<sub>2</sub> rings
1176as well; it is useful to zoom in to help with the selection. You can control
1177the image display with the <b style='mso-bidi-font-weight:normal'><span
1178style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1179mso-hansi-theme-font:minor-latin'>Image Controls</span></b>. Each time you pick
1180a ring, GSAS-II will display (briefly) the <b style='mso-bidi-font-weight:normal'><span
1181style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1182mso-hansi-theme-font:minor-latin'>Strain</span></b> plot with the points it
1183found and then show the <b style='mso-bidi-font-weight:normal'><span
1184style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1185mso-hansi-theme-font:minor-latin'>2D Powder Image</span></b> zoomed in where
1186you were looking before your selection. I chose 12 rings. My Strain plot showed</p>
1187
1188<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1189 id="Picture_x0020_14" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt;
1190 height:450pt;visibility:visible;mso-wrap-style:square'>
1191 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image007.png"
1192  o:title=""/>
1193</v:shape><![endif]--><![if !vml]><img width=700 height=600
1194src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image007.png"
1195v:shapes="Picture_x0020_14"><![endif]></span></p>
1196
1197<p class=MsoNormal>Notice that each ring is plotted in different colors (they
1198are somewhat mixed for the two lines ~2Å! We will fix this next.)</p>
1199
1200<p class=MsoNormal>The 2D Powder Image shows the picks as well</p>
1201
1202<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1203 id="Picture_x0020_15" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1204 height:450pt;visibility:visible;mso-wrap-style:square'>
1205 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image008.png"
1206  o:title=""/>
1207</v:shape><![endif]--><![if !vml]><img width=700 height=600
1208src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image008.png"
1209v:shapes="Picture_x0020_15"><![endif]></span></p>
1210
1211<p class=MsoNormal>And the rings are listed on the <b style='mso-bidi-font-weight:
1212normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1213minor-latin;mso-hansi-theme-font:minor-latin'>Stress/Strain</span></b> data
1214window; a scroll bar allows easy access to all the entries.</p>
1215
1216<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1217 id="Picture_x0020_16" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:569.25pt;
1218 height:326.25pt;visibility:visible;mso-wrap-style:square'>
1219 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image009.png"
1220  o:title=""/>
1221</v:shape><![endif]--><![if !vml]><img width=759 height=435
1222src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image009.png"
1223v:shapes="Picture_x0020_16"><![endif]></span></p>
1224
1225<p class=MsoNormal>We can now fix the mixing of the two 2Å lines; change the <b
1226style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1227mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pixel search
1228range</span></b> to <b style='mso-bidi-font-weight:normal'><span
1229style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1230mso-hansi-theme-font:minor-latin'>5</span></b> for both. Each change will cause
1231a refresh of the ring selections; after you are done the <b style='mso-bidi-font-weight:
1232normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1233minor-latin;mso-hansi-theme-font:minor-latin'>Strain</span></b> plot should
1234look like</p>
1235
1236<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1237 id="Picture_x0020_17" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
1238 height:450pt;visibility:visible;mso-wrap-style:square'>
1239 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image010.png"
1240  o:title=""/>
1241</v:shape><![endif]--><![if !vml]><img width=700 height=600
1242src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image010.png"
1243v:shapes="Picture_x0020_17"><![endif]></span></p>
1244
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
1253style='mso-spacerun:yes'>  </span>In particular the austenite 111 line (~2.08Å)
1254is much flatter than the ferrite 200 line (~2.03Å); this reflects the sample
1255history (hot rolled steel). The tensor elements with <span class=SpellE>esds</span>
1256are shown on the console and in the data window</p>
1257
1258<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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
1266style='mso-spacerun:yes'> </span></p>
1267
1268<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
1269style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1270mso-hansi-theme-font:minor-latin'>d-zero <span class=SpellE>ave</span></span></b>
1271is the average d-spacing around each ring; this can be used as the reference
1272d-spacing. Each d-zero value for this no load sample can be set to this value;
1273this will suppress any residual stress offset. To update all the d-zero values
1274to the calculated ones do <b style='mso-bidi-font-weight:normal'><span
1275style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1276mso-hansi-theme-font:minor-latin'>Operations/Update d-zero</span></b> then
1277repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1278mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Fit
1279stress/strain</span></b>. Repeat as needed to make <b style='mso-bidi-font-weight:
1280normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1281minor-latin;mso-hansi-theme-font:minor-latin'>d-zero</span></b> <span
1282class=GramE>match</span> <b style='mso-bidi-font-weight:normal'><span
1283style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1284mso-hansi-theme-font:minor-latin'>d-zero <span class=SpellE>ave</span></span></b>
1285for all lines. I got for the no load sample</p>
1286
1287<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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>
1295
1296<p class=MsoNormal>Finally you want this set of d-zero values to be applied to
1297the images from the loaded sample; <span class=GramE>do</span> <b
1298style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1299mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Copy
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'>
1379 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
1380  o:title=""/>
1381</v:shape><![endif]--><![if !vml]><img width=700 height=222
1382src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
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'>
1401 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
1402  o:title=""/>
1403</v:shape><![endif]--><![if !vml]><img width=700 height=600
1404src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
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>
1488
1489<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1490 id="Picture_x0020_24" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:501pt;
1491 height:465pt;visibility:visible;mso-wrap-style:square'>
1492 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image015.png"
1493  o:title=""/>
1494</v:shape><![endif]--><![if !vml]><img width=668 height=620
1495src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image015.png"
1496v:shapes="Picture_x0020_24"><![endif]></span></p>
1497
1498<p class=MsoNormal>When you look at the other lines, you should notice that the
1499ones at ca. 3.13Å, 1.91Å, and 1.63Å remain straight lines; these are from CeO<sub>2</sub>
1500and should be unchanged under load.</p>
1501
1502<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1503
1504<p class=MsoNormal>Again you could save the project with <b style='mso-bidi-font-weight:
1505normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1506minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1507mso-bidi-theme-font:minor-latin'>File/Save project</span></b> on the main <b
1508style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1509mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1510Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu
1511although it is not needed for any further tutorials. The strain results from
1512each image can be exported as a comma delimited set of values which can easily
1513be read by Microsoft Excel and other spread sheet programs; see <b
1514style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1515mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Export/Image
1516data as/Strain CSV file</span></b>.</p>
1517
1518</div>
1519
1520</body>
1521
1522</html>
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