source: trunk/help/Strain fitting of 2D data in GSAS-II.htm @ 1196

Last change on this file since 1196 was 1196, checked in by vondreele, 8 years ago

forgot something

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385        mso-margin-top-alt:auto;
386        margin-right:0in;
387        mso-margin-bottom-alt:auto;
388        margin-left:0in;
389        mso-pagination:widow-orphan;
390        mso-outline-level:1;
391        font-size:24.0pt;
392        font-family:"Times New Roman","serif";
393        mso-fareast-font-family:"Times New Roman";
394        mso-fareast-theme-font:minor-fareast;
395        font-weight:bold;}
396h2
397        {mso-style-noshow:yes;
398        mso-style-priority:9;
399        mso-style-qformat:yes;
400        mso-style-link:"Heading 2 Char";
401        mso-margin-top-alt:auto;
402        margin-right:0in;
403        mso-margin-bottom-alt:auto;
404        margin-left:0in;
405        mso-pagination:widow-orphan;
406        mso-outline-level:2;
407        font-size:18.0pt;
408        font-family:"Times New Roman","serif";
409        mso-fareast-font-family:"Times New Roman";
410        mso-fareast-theme-font:minor-fareast;
411        font-weight:bold;}
412h3
413        {mso-style-noshow:yes;
414        mso-style-priority:9;
415        mso-style-qformat:yes;
416        mso-style-link:"Heading 3 Char";
417        mso-margin-top-alt:auto;
418        margin-right:0in;
419        mso-margin-bottom-alt:auto;
420        margin-left:0in;
421        mso-pagination:widow-orphan;
422        mso-outline-level:3;
423        font-size:13.5pt;
424        font-family:"Times New Roman","serif";
425        mso-fareast-font-family:"Times New Roman";
426        mso-fareast-theme-font:minor-fareast;
427        font-weight:bold;}
428h4
429        {mso-style-noshow:yes;
430        mso-style-priority:9;
431        mso-style-qformat:yes;
432        mso-style-link:"Heading 4 Char";
433        mso-style-next:Normal;
434        margin-top:10.0pt;
435        margin-right:0in;
436        margin-bottom:0in;
437        margin-left:0in;
438        margin-bottom:.0001pt;
439        mso-pagination:widow-orphan lines-together;
440        page-break-after:avoid;
441        mso-outline-level:4;
442        font-size:13.0pt;
443        font-family:"Cambria","serif";
444        mso-ascii-font-family:Cambria;
445        mso-ascii-theme-font:major-latin;
446        mso-fareast-font-family:"Times New Roman";
447        mso-fareast-theme-font:major-fareast;
448        mso-hansi-font-family:Cambria;
449        mso-hansi-theme-font:major-latin;
450        mso-bidi-font-family:"Times New Roman";
451        mso-bidi-theme-font:major-bidi;
452        color:#4F81BD;
453        mso-themecolor:accent1;
454        font-weight:bold;
455        font-style:italic;}
456h5
457        {mso-style-noshow:yes;
458        mso-style-priority:9;
459        mso-style-qformat:yes;
460        mso-style-link:"Heading 5 Char";
461        mso-margin-top-alt:auto;
462        margin-right:0in;
463        mso-margin-bottom-alt:auto;
464        margin-left:0in;
465        mso-pagination:widow-orphan;
466        mso-outline-level:5;
467        font-size:12.0pt;
468        font-family:"Times New Roman","serif";
469        mso-fareast-font-family:"Times New Roman";
470        mso-fareast-theme-font:minor-fareast;
471        color:#4F4FFF;
472        font-weight:bold;}
473p.MsoTitle, li.MsoTitle, div.MsoTitle
474        {mso-style-noshow:yes;
475        mso-style-priority:10;
476        mso-style-unhide:no;
477        mso-style-qformat:yes;
478        mso-style-link:"Title Char";
479        mso-style-next:Normal;
480        margin-top:0in;
481        margin-right:0in;
482        margin-bottom:15.0pt;
483        margin-left:0in;
484        mso-add-space:auto;
485        mso-pagination:widow-orphan;
486        border:none;
487        mso-border-bottom-alt:solid #4F81BD 1.0pt;
488        mso-border-bottom-themecolor:accent1;
489        padding:0in;
490        mso-padding-alt:0in 0in 4.0pt 0in;
491        font-size:26.0pt;
492        font-family:"Cambria","serif";
493        mso-ascii-font-family:Cambria;
494        mso-ascii-theme-font:major-latin;
495        mso-fareast-font-family:"Times New Roman";
496        mso-fareast-theme-font:major-fareast;
497        mso-hansi-font-family:Cambria;
498        mso-hansi-theme-font:major-latin;
499        mso-bidi-font-family:"Times New Roman";
500        mso-bidi-theme-font:major-bidi;
501        color:#17365D;
502        mso-themecolor:text2;
503        mso-themeshade:191;
504        letter-spacing:.25pt;
505        mso-font-kerning:14.0pt;}
506p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
507        {mso-style-noshow:yes;
508        mso-style-priority:10;
509        mso-style-unhide:no;
510        mso-style-qformat:yes;
511        mso-style-link:"Title Char";
512        mso-style-next:Normal;
513        mso-style-type:export-only;
514        margin:0in;
515        margin-bottom:.0001pt;
516        mso-add-space:auto;
517        mso-pagination:widow-orphan;
518        border:none;
519        mso-border-bottom-alt:solid #4F81BD 1.0pt;
520        mso-border-bottom-themecolor:accent1;
521        padding:0in;
522        mso-padding-alt:0in 0in 4.0pt 0in;
523        font-size:26.0pt;
524        font-family:"Cambria","serif";
525        mso-ascii-font-family:Cambria;
526        mso-ascii-theme-font:major-latin;
527        mso-fareast-font-family:"Times New Roman";
528        mso-fareast-theme-font:major-fareast;
529        mso-hansi-font-family:Cambria;
530        mso-hansi-theme-font:major-latin;
531        mso-bidi-font-family:"Times New Roman";
532        mso-bidi-theme-font:major-bidi;
533        color:#17365D;
534        mso-themecolor:text2;
535        mso-themeshade:191;
536        letter-spacing:.25pt;
537        mso-font-kerning:14.0pt;}
538p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
539        {mso-style-noshow:yes;
540        mso-style-priority:10;
541        mso-style-unhide:no;
542        mso-style-qformat:yes;
543        mso-style-link:"Title Char";
544        mso-style-next:Normal;
545        mso-style-type:export-only;
546        margin:0in;
547        margin-bottom:.0001pt;
548        mso-add-space:auto;
549        mso-pagination:widow-orphan;
550        border:none;
551        mso-border-bottom-alt:solid #4F81BD 1.0pt;
552        mso-border-bottom-themecolor:accent1;
553        padding:0in;
554        mso-padding-alt:0in 0in 4.0pt 0in;
555        font-size:26.0pt;
556        font-family:"Cambria","serif";
557        mso-ascii-font-family:Cambria;
558        mso-ascii-theme-font:major-latin;
559        mso-fareast-font-family:"Times New Roman";
560        mso-fareast-theme-font:major-fareast;
561        mso-hansi-font-family:Cambria;
562        mso-hansi-theme-font:major-latin;
563        mso-bidi-font-family:"Times New Roman";
564        mso-bidi-theme-font:major-bidi;
565        color:#17365D;
566        mso-themecolor:text2;
567        mso-themeshade:191;
568        letter-spacing:.25pt;
569        mso-font-kerning:14.0pt;}
570p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
571        {mso-style-noshow:yes;
572        mso-style-priority:10;
573        mso-style-unhide:no;
574        mso-style-qformat:yes;
575        mso-style-link:"Title Char";
576        mso-style-next:Normal;
577        mso-style-type:export-only;
578        margin-top:0in;
579        margin-right:0in;
580        margin-bottom:15.0pt;
581        margin-left:0in;
582        mso-add-space:auto;
583        mso-pagination:widow-orphan;
584        border:none;
585        mso-border-bottom-alt:solid #4F81BD 1.0pt;
586        mso-border-bottom-themecolor:accent1;
587        padding:0in;
588        mso-padding-alt:0in 0in 4.0pt 0in;
589        font-size:26.0pt;
590        font-family:"Cambria","serif";
591        mso-ascii-font-family:Cambria;
592        mso-ascii-theme-font:major-latin;
593        mso-fareast-font-family:"Times New Roman";
594        mso-fareast-theme-font:major-fareast;
595        mso-hansi-font-family:Cambria;
596        mso-hansi-theme-font:major-latin;
597        mso-bidi-font-family:"Times New Roman";
598        mso-bidi-theme-font:major-bidi;
599        color:#17365D;
600        mso-themecolor:text2;
601        mso-themeshade:191;
602        letter-spacing:.25pt;
603        mso-font-kerning:14.0pt;}
604a:link, span.MsoHyperlink
605        {mso-style-noshow:yes;
606        mso-style-priority:99;
607        color:blue;
608        text-decoration:underline;
609        text-underline:single;}
610a:visited, span.MsoHyperlinkFollowed
611        {mso-style-noshow:yes;
612        mso-style-priority:99;
613        color:purple;
614        text-decoration:underline;
615        text-underline:single;}
616p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
617        {mso-style-noshow:yes;
618        mso-style-priority:99;
619        mso-style-link:"Document Map Char";
620        margin:0in;
621        margin-bottom:.0001pt;
622        mso-pagination:widow-orphan;
623        font-size:8.0pt;
624        font-family:"Tahoma","sans-serif";
625        mso-fareast-font-family:"Times New Roman";
626        mso-fareast-theme-font:minor-fareast;}
627p
628        {mso-style-noshow:yes;
629        mso-style-priority:99;
630        mso-margin-top-alt:auto;
631        margin-right:0in;
632        mso-margin-bottom-alt:auto;
633        margin-left:0in;
634        mso-pagination:widow-orphan;
635        font-size:12.0pt;
636        font-family:"Times New Roman","serif";
637        mso-fareast-font-family:"Times New Roman";
638        mso-fareast-theme-font:minor-fareast;}
639pre
640        {mso-style-noshow:yes;
641        mso-style-priority:99;
642        mso-style-link:"HTML Preformatted Char";
643        margin:0in;
644        margin-bottom:.0001pt;
645        mso-pagination:widow-orphan;
646        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;
647        font-size:10.0pt;
648        font-family:"Courier New";
649        mso-fareast-font-family:"Times New Roman";}
650p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
651        {mso-style-noshow:yes;
652        mso-style-priority:99;
653        mso-style-link:"Balloon Text Char";
654        margin:0in;
655        margin-bottom:.0001pt;
656        mso-pagination:widow-orphan;
657        font-size:8.0pt;
658        font-family:"Tahoma","sans-serif";
659        mso-fareast-font-family:"Times New Roman";
660        mso-fareast-theme-font:minor-fareast;}
661span.MsoPlaceholderText
662        {mso-style-noshow:yes;
663        mso-style-priority:99;
664        mso-style-unhide:no;
665        color:gray;}
666p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
667        {mso-style-noshow:yes;
668        mso-style-priority:1;
669        mso-style-unhide:no;
670        mso-style-qformat:yes;
671        mso-style-parent:"";
672        margin:0in;
673        margin-bottom:.0001pt;
674        mso-pagination:widow-orphan;
675        font-size:12.0pt;
676        font-family:"Times New Roman","serif";
677        mso-fareast-font-family:"Times New Roman";
678        mso-fareast-theme-font:minor-fareast;}
679p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
680        {mso-style-noshow:yes;
681        mso-style-priority:34;
682        mso-style-unhide:no;
683        mso-style-qformat:yes;
684        margin-top:0in;
685        margin-right:0in;
686        margin-bottom:0in;
687        margin-left:.5in;
688        margin-bottom:.0001pt;
689        mso-add-space:auto;
690        mso-pagination:widow-orphan;
691        font-size:12.0pt;
692        font-family:"Times New Roman","serif";
693        mso-fareast-font-family:"Times New Roman";
694        mso-fareast-theme-font:minor-fareast;}
695p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
696        {mso-style-noshow:yes;
697        mso-style-priority:34;
698        mso-style-unhide:no;
699        mso-style-qformat:yes;
700        mso-style-type:export-only;
701        margin-top:0in;
702        margin-right:0in;
703        margin-bottom:0in;
704        margin-left:.5in;
705        margin-bottom:.0001pt;
706        mso-add-space:auto;
707        mso-pagination:widow-orphan;
708        font-size:12.0pt;
709        font-family:"Times New Roman","serif";
710        mso-fareast-font-family:"Times New Roman";
711        mso-fareast-theme-font:minor-fareast;}
712p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
713        {mso-style-noshow:yes;
714        mso-style-priority:34;
715        mso-style-unhide:no;
716        mso-style-qformat:yes;
717        mso-style-type:export-only;
718        margin-top:0in;
719        margin-right:0in;
720        margin-bottom:0in;
721        margin-left:.5in;
722        margin-bottom:.0001pt;
723        mso-add-space:auto;
724        mso-pagination:widow-orphan;
725        font-size:12.0pt;
726        font-family:"Times New Roman","serif";
727        mso-fareast-font-family:"Times New Roman";
728        mso-fareast-theme-font:minor-fareast;}
729p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
730        {mso-style-noshow:yes;
731        mso-style-priority:34;
732        mso-style-unhide:no;
733        mso-style-qformat:yes;
734        mso-style-type:export-only;
735        margin-top:0in;
736        margin-right:0in;
737        margin-bottom:0in;
738        margin-left:.5in;
739        margin-bottom:.0001pt;
740        mso-add-space:auto;
741        mso-pagination:widow-orphan;
742        font-size:12.0pt;
743        font-family:"Times New Roman","serif";
744        mso-fareast-font-family:"Times New Roman";
745        mso-fareast-theme-font:minor-fareast;}
746span.MsoIntenseReference
747        {mso-style-priority:32;
748        mso-style-unhide:no;
749        mso-style-qformat:yes;
750        font-variant:small-caps;
751        color:#C0504D;
752        mso-themecolor:accent2;
753        letter-spacing:.25pt;
754        font-weight:bold;
755        text-decoration:underline;
756        text-underline:single;}
757span.Heading1Char
758        {mso-style-name:"Heading 1 Char";
759        mso-style-priority:9;
760        mso-style-unhide:no;
761        mso-style-locked:yes;
762        mso-style-link:"Heading 1";
763        mso-ansi-font-size:24.0pt;
764        mso-bidi-font-size:24.0pt;
765        font-family:"Times New Roman","serif";
766        mso-ascii-font-family:"Times New Roman";
767        mso-fareast-font-family:"Times New Roman";
768        mso-fareast-theme-font:minor-fareast;
769        mso-hansi-font-family:"Times New Roman";
770        mso-bidi-font-family:"Times New Roman";
771        mso-font-kerning:18.0pt;
772        font-weight:bold;}
773span.Heading2Char
774        {mso-style-name:"Heading 2 Char";
775        mso-style-noshow:yes;
776        mso-style-priority:9;
777        mso-style-unhide:no;
778        mso-style-locked:yes;
779        mso-style-link:"Heading 2";
780        mso-ansi-font-size:18.0pt;
781        mso-bidi-font-size:18.0pt;
782        font-family:"Times New Roman","serif";
783        mso-ascii-font-family:"Times New Roman";
784        mso-fareast-font-family:"Times New Roman";
785        mso-fareast-theme-font:minor-fareast;
786        mso-hansi-font-family:"Times New Roman";
787        mso-bidi-font-family:"Times New Roman";
788        font-weight:bold;}
789span.Heading3Char
790        {mso-style-name:"Heading 3 Char";
791        mso-style-noshow:yes;
792        mso-style-priority:9;
793        mso-style-unhide:no;
794        mso-style-locked:yes;
795        mso-style-link:"Heading 3";
796        mso-ansi-font-size:13.5pt;
797        mso-bidi-font-size:13.5pt;
798        font-family:"Times New Roman","serif";
799        mso-ascii-font-family:"Times New Roman";
800        mso-fareast-font-family:"Times New Roman";
801        mso-fareast-theme-font:minor-fareast;
802        mso-hansi-font-family:"Times New Roman";
803        mso-bidi-font-family:"Times New Roman";
804        font-weight:bold;}
805span.Heading4Char
806        {mso-style-name:"Heading 4 Char";
807        mso-style-noshow:yes;
808        mso-style-priority:9;
809        mso-style-unhide:no;
810        mso-style-locked:yes;
811        mso-style-link:"Heading 4";
812        mso-ansi-font-size:13.0pt;
813        mso-bidi-font-size:13.0pt;
814        font-family:"Cambria","serif";
815        mso-ascii-font-family:Cambria;
816        mso-ascii-theme-font:major-latin;
817        mso-fareast-font-family:"Times New Roman";
818        mso-fareast-theme-font:major-fareast;
819        mso-hansi-font-family:Cambria;
820        mso-hansi-theme-font:major-latin;
821        mso-bidi-font-family:"Times New Roman";
822        mso-bidi-theme-font:major-bidi;
823        color:#4F81BD;
824        mso-themecolor:accent1;
825        font-weight:bold;
826        font-style:italic;}
827span.Heading5Char
828        {mso-style-name:"Heading 5 Char";
829        mso-style-noshow:yes;
830        mso-style-priority:9;
831        mso-style-unhide:no;
832        mso-style-locked:yes;
833        mso-style-link:"Heading 5";
834        mso-ansi-font-size:12.0pt;
835        mso-bidi-font-size:12.0pt;
836        font-family:"Times New Roman","serif";
837        mso-ascii-font-family:"Times New Roman";
838        mso-fareast-font-family:"Times New Roman";
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967
968<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
969
970<div class=WordSection1>
971
972<h1>Strain fitting of 2D data in GSAS-II</h1>
973
974<p class=MsoNormal>For this demo, data was collected with a MAR2300 area
975detector at APS 1-ID-C with a wavelength 0.12398 Å (100<span style='font-family:
976Symbol'>m</span>m diameter beam) from a 1.5mm square hot rolled steel test
977specimen; the front surface has been dusted with some CeO<sub>2</sub> to aid in
978calibration. Two images are used here; one is with no load on the sample and
979the other is with the sample under tension along the y-axis (vertical). The
980loading will distort the steel (ferrite &amp; austenite) diffraction rings and
981our 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>
983Note that menu entries are listed in <b style='mso-bidi-font-weight:normal'><span
984style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
985mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
986minor-latin'>bold face</span></b> below as <b style='mso-bidi-font-weight:normal'><span
987style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
988mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
989minor-latin'>Help/About GSAS-II</span></b>, which lists first the name of the
990menu (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:
992minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>Help</span></b>)
993and second the name of the entry in the menu (here <b style='mso-bidi-font-weight:
994normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
995minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
996mso-bidi-theme-font:minor-latin'>About GSAS-II</span></b>).</p>
997
998<h2>Step 1: Start GSAS-II and read the images</h2>
999
1000<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1001style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1002mso-hansi-theme-font:minor-latin'>Data/Read image data</span></b> menu item to
1003read the data file into a new GSAS-II project. A file selection dialog will be
1004shown; its appearance will depend on your OS. Change the search directory to <b
1005style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1006mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1007Calibri;mso-bidi-theme-font:minor-latin'>/Exercises/strain-texture/nx09_strain_data</span></b>
1008and then select the files <b style='mso-bidi-font-weight:normal'><span
1009style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1010mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1011minor-latin'>nx09_strain_001.mar2300</span></b> and <b style='mso-bidi-font-weight:
1012normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1013minor-latin;mso-hansi-theme-font:minor-latin'>nx09_strain_012.mar2300</span></b>
1014and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1015mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1016Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>.<span
1017style='mso-no-proof:yes'> Select the 1<sup>st</sup> image (001) from the
1018GSAS-II data tree and select Image Controls; adjust the Max intensity so that the
1019CeO2 rings are visible (~1500 will suffice). You should see:<o:p></o:p></span></p>
1020
1021<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1022 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
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1037  <v:f eqn="sum @10 21600 0"/>
1038 </v:formulas>
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1044  o:title=""/>
1045</v:shape><![endif]--><![if !vml]><img width=700 height=600
1046src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image001.png"
1047v:shapes="Picture_x0020_8"><![endif]><o:p></o:p></span></p>
1048
1049<p class=MsoNormal><span style='mso-no-proof:yes'>For the image and <o:p></o:p></span></p>
1050
1051<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;
1053 height:349.5pt;visibility:visible;mso-wrap-style:square'>
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
1057src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image002.png"
1058v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p>
1059
1060<p class=MsoNormal><span style='mso-no-proof:yes'>for the controls.<o:p></o:p></span></p>
1061
1062<h2>Step 2: Calibration of the detector position</h2>
1063
1064<p class=MsoNormal>This image is a superposition of three diffraction patterns;
1065CeO<sub>2</sub> <span class=SpellE>calibrant</span>, ferrite (BCC iron) and austenite
1066(FCC iron). Consequently the calibration needs to be done with some care; the
1067steps are as follows:</p>
1068
1069<p class=MsoNormal>Set the wavelength to <b style='mso-bidi-font-weight:normal'><span
1070style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1071mso-hansi-theme-font:minor-latin'>0.12398</span></b></p>
1072
1073<p class=MsoNormal>Set the <span class=SpellE>calibrant</span> to <b
1074style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1075mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>CeO2 SRM674b<o:p></o:p></span></b></p>
1076
1077<p class=MsoNormal>Set <b style='mso-bidi-font-weight:normal'><span
1078style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1079mso-hansi-theme-font:minor-latin'>Min <span class=SpellE>calib</span> d-spacing</span></b>
1080to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1081mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.09</span></b>;
1082this avoids picking a CeO<sub>2</sub> ring that overlaps one of the steel ones.</p>
1083
1084<p class=MsoNormal>Pick <b style='mso-bidi-font-weight:normal'><span
1085style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1086mso-hansi-theme-font:minor-latin'>Show ring picks?</span></b> <span
1087class=GramE>check</span> box</p>
1088
1089<p class=MsoNormal>Use Operations/Calibrate, select 5 points on the inner CeO<sub>2</sub>
1090ring with left mouse button and start calibration with right mouse button. The
1091result should be something like</p>
1092
1093<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;
1095 height:450pt;visibility:visible;mso-wrap-style:square'>
1096 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image003.png"
1097  o:title=""/>
1098</v:shape><![endif]--><![if !vml]><img width=700 height=600
1099src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image003.png"
1100v:shapes="Picture_x0020_10"><![endif]></span></p>
1101
1102<p class=MsoNormal>I’ve zoomed in to show that the CeO2 rings are well fitted
1103and don’t overlap any of the more intense steel ones. The calibration results
1104show on the data window</p>
1105
1106<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1111</v:shape><![endif]--><![if !vml]><img width=630 height=466
1112src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image004.png"
1113v:shapes="Picture_x0020_11"><![endif]></span><span
1114style='mso-spacerun:yes'> </span></p>
1115
1116<p class=MsoNormal><span class=GramE>and</span> the console</p>
1117
1118<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1121 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image005.png"
1122  o:title=""/>
1123</v:shape><![endif]--><![if !vml]><img width=613 height=143
1124src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image005.png"
1125v:shapes="Picture_x0020_12"><![endif]></span></p>
1126
1127<p class=MsoNormal>You should now copy these results to the other image. Use <b
1128style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1129mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Copy
1130controls</span></b>; a popup dialog will appear; select <b style='mso-bidi-font-weight:
1131normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1132minor-latin;mso-hansi-theme-font:minor-latin'>All IMG</span></b> and <b
1133style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1134mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>.</p>
1135
1136<h2 style='tab-stops:2.3in'>Step 3: Fitting unstrained steel</h2>
1137
1138<p class=MsoNormal>In this step you will select the diffraction rings to be
1139analyzed for strain; it is best to pick a few CeO<sub>2</sub> ones as well to
1140confirm that the sample position does not shift during loading. Select the
1141first image (001) and the Stress/Strain tree item. An empty plot (“Strain”)
1142will appear and the initial Stress/Strain data window</p>
1143
1144<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;
1146 height:91.5pt;visibility:visible;mso-wrap-style:square'>
1147 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image006.png"
1148  o:title=""/>
1149</v:shape><![endif]--><![if !vml]><img width=562 height=122
1150src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image006.png"
1151v:shapes="Picture_x0020_13"><![endif]></span><span
1152style='mso-spacerun:yes'> </span></p>
1153
1154<p class=MsoNormal>Change <b style='mso-bidi-font-weight:normal'><span
1155style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1156mso-hansi-theme-font:minor-latin'>Sample delta-z</span></b> to <b
1157style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1158mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-0.75</span></b>
1159since center of the steel sample is that much closer to the detector than the
1160CeO<sub>2</sub> <span class=SpellE>calibrant</span>. Then select <b
1161style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1162mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2D Powder
1163Image</span></b> and follow the instruction to add a ring; press <span
1164class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1165"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1166minor-latin'>a</span></b> and</span> use the mouse left button to select a
1167ring. Do as many as you like but be sure to select some CeO<sub>2</sub> rings
1168as well; it is useful to zoom in to help with the selection. You can control
1169the image display with the <b style='mso-bidi-font-weight:normal'><span
1170style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1171mso-hansi-theme-font:minor-latin'>Image Controls</span></b>. Each time you pick
1172a ring, GSAS-II will display (briefly) the <b style='mso-bidi-font-weight:normal'><span
1173style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1174mso-hansi-theme-font:minor-latin'>Strain</span></b> plot with the points it
1175found and then show the <b style='mso-bidi-font-weight:normal'><span
1176style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1177mso-hansi-theme-font:minor-latin'>2D Powder Image</span></b> zoomed in where
1178you were looking before your selection. I chose 12 rings. My Strain plot showed</p>
1179
1180<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;
1182 height:450pt;visibility:visible;mso-wrap-style:square'>
1183 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image007.png"
1184  o:title=""/>
1185</v:shape><![endif]--><![if !vml]><img width=700 height=600
1186src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image007.png"
1187v:shapes="Picture_x0020_14"><![endif]></span></p>
1188
1189<p class=MsoNormal>Notice that each ring is plotted in different colors (they
1190are somewhat mixed for the two lines ~2Å! We will fix this next.)</p>
1191
1192<p class=MsoNormal>The 2D Powder Image shows the picks as well</p>
1193
1194<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;
1196 height:450pt;visibility:visible;mso-wrap-style:square'>
1197 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image008.png"
1198  o:title=""/>
1199</v:shape><![endif]--><![if !vml]><img width=700 height=600
1200src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image008.png"
1201v:shapes="Picture_x0020_15"><![endif]></span></p>
1202
1203<p class=MsoNormal>And the rings are listed on the <b style='mso-bidi-font-weight:
1204normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1205minor-latin;mso-hansi-theme-font:minor-latin'>Stress/Strain</span></b> data
1206window; a scroll bar allows easy access to all the entries.</p>
1207
1208<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;
1210 height:326.25pt;visibility:visible;mso-wrap-style:square'>
1211 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image009.png"
1212  o:title=""/>
1213</v:shape><![endif]--><![if !vml]><img width=759 height=435
1214src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image009.png"
1215v:shapes="Picture_x0020_16"><![endif]></span></p>
1216
1217<p class=MsoNormal>We can now fix the mixing of the two 2Å lines; change the <b
1218style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1219mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Pixel search
1220range</span></b> to <b style='mso-bidi-font-weight:normal'><span
1221style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1222mso-hansi-theme-font:minor-latin'>5</span></b> for both. Each change will cause
1223a refresh of the ring selections; after you are done the <b style='mso-bidi-font-weight:
1224normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1225minor-latin;mso-hansi-theme-font:minor-latin'>Strain</span></b> plot should
1226look like</p>
1227
1228<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;
1230 height:450pt;visibility:visible;mso-wrap-style:square'>
1231 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image010.png"
1232  o:title=""/>
1233</v:shape><![endif]--><![if !vml]><img width=700 height=600
1234src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image010.png"
1235v:shapes="Picture_x0020_17"><![endif]></span></p>
1236
1237<p class=MsoNormal>We are now ready for the first strain fit; do Operations/Fit
1238stress/strain. Each ring will be fitted to the three strain tensor elements (&#949;<sub>11</sub>,
1239&#949;<sub>12</sub> &amp; &#949;<sub>22</sub>) that can be determined from a single
12402D diffraction ring. The resulting Strain plot now shows curves calculated from
1241the fitted tensor elements; these are very nearly straight lines as expected
1242from an unloaded sample.<span style='mso-spacerun:yes'>  </span>In particular
1243the austenite 111 line (~2.08Å) is much flatter than the ferrite 200 line (~2.03Å);
1244this reflects the sample history (hot rolled steel). The tensor elements with <span
1245class=SpellE>esds</span> are shown on the console and in the data window</p>
1246
1247<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1248 id="Picture_x0020_18" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:569.25pt;
1249 height:332.25pt;visibility:visible;mso-wrap-style:square'>
1250 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
1251  o:title=""/>
1252</v:shape><![endif]--><![if !vml]><img width=759 height=443
1253src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image011.png"
1254v:shapes="Picture_x0020_18"><![endif]></span><span
1255style='mso-spacerun:yes'> </span></p>
1256
1257<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
1258style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1259mso-hansi-theme-font:minor-latin'>d-zero <span class=SpellE>ave</span></span></b>
1260is the average d-spacing around each ring; this can be used as the reference
1261d-spacing. Each d-zero value for this no load sample can be set to this value;
1262this will suppress any residual stress offset. To update all the d-zero values
1263to the calculated ones do <b style='mso-bidi-font-weight:normal'><span
1264style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1265mso-hansi-theme-font:minor-latin'>Operations/Update d-zero</span></b> then
1266repeat <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1267mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Fit
1268stress/strain</span></b>. Repeat as needed to make <b style='mso-bidi-font-weight:
1269normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1270minor-latin;mso-hansi-theme-font:minor-latin'>d-zero</span></b> <span
1271class=GramE>match</span> <b style='mso-bidi-font-weight:normal'><span
1272style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1273mso-hansi-theme-font:minor-latin'>d-zero <span class=SpellE>ave</span></span></b>
1274for all lines. I got for the no load sample</p>
1275
1276<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1277 id="Picture_x0020_19" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:569.25pt;
1278 height:333.75pt;visibility:visible;mso-wrap-style:square'>
1279 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
1280  o:title=""/>
1281</v:shape><![endif]--><![if !vml]><img width=759 height=445
1282src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image012.png"
1283v:shapes="Picture_x0020_19"><![endif]></span></p>
1284
1285<p class=MsoNormal>Finally you want this set of d-zero values to be applied to
1286the image from the loaded sample; <span class=GramE>do</span> <b
1287style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1288mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Operations/Copy
1289stress/strain</span></b> to apply them to the other image.</p>
1290
1291<h2 style='tab-stops:2.3in'>Step 4: Fitting steel under load</h2>
1292
1293<p class=MsoNormal>In this step you are going to fit the strain tensor elements
1294to the steel test sample under an applied load. <span class=GramE>Do</span>
1295Operations/Fit stress/strain; the data window shows</p>
1296
1297<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1298 id="Picture_x0020_20" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:569.25pt;
1299 height:359.25pt;visibility:visible;mso-wrap-style:square'>
1300 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
1301  o:title=""/>
1302</v:shape><![endif]--><![if !vml]><img width=759 height=479
1303src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image013.png"
1304v:shapes="Picture_x0020_20"><![endif]></span></p>
1305
1306<p class=MsoNormal>The console window gives values and <span class=SpellE>esds</span></p>
1307
1308<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1309 id="Picture_x0020_22" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:435.75pt;
1310 height:341.25pt;visibility:visible;mso-wrap-style:square'>
1311 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
1312  o:title=""/>
1313</v:shape><![endif]--><![if !vml]><img width=581 height=455
1314src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image014.png"
1315v:shapes="Picture_x0020_22"><![endif]></span></p>
1316
1317<p class=MsoNormal>I only show the bottom of the listing. The strain plot gives
1318(I zoomed in on just one line).</p>
1319
1320<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1321 id="Picture_x0020_24" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:501pt;
1322 height:465pt;visibility:visible;mso-wrap-style:square'>
1323 <v:imagedata src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image015.png"
1324  o:title=""/>
1325</v:shape><![endif]--><![if !vml]><img width=668 height=620
1326src="Strain%20fitting%20of%202D%20data%20in%20GSAS-II_files/image015.png"
1327v:shapes="Picture_x0020_24"><![endif]></span></p>
1328
1329<p class=MsoNormal>When you look at the other lines, you should notice that the
1330ones at ca. 3.13Å, 1.91Å, and 1.63Å remain straight lines; these are from CeO<sub>2</sub>
1331and should be unchanged under load.<o:p></o:p></p>
1332
1333<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1334
1335<p class=MsoNormal>Again you could save the project with <b style='mso-bidi-font-weight:
1336normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1337minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1338mso-bidi-theme-font:minor-latin'>File/Save project</span></b> on the main <b
1339style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1340mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1341Calibri;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu
1342although it is not needed for any further tutorials. The strain results from
1343each image can be exported as a comma delimited set of values which can easily
1344be read by Microsoft Excel and other spread sheet programs; see <b
1345style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1346mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Export/Image
1347data as/Strain CSV file</span></b>.</p>
1348
1349</div>
1350
1351</body>
1352
1353</html>
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