source: trunk/help/gsasII.html @ 449

Last change on this file since 449 was 449, checked in by toby, 10 years ago

Help updates: refactor help routine; use internal browser on Windows; add help to more (all?) windows; add text to avoid blank data windows;remove some unused code

File size: 91.6 KB
Line 
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2xmlns:o="urn:schemas-microsoft-com:office:office"
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4xmlns:m="http://schemas.microsoft.com/office/2004/12/omml"
5xmlns="http://www.w3.org/TR/REC-html40">
6
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10<meta name=Generator content="Microsoft Word 12">
11<meta name=Originator content="Microsoft Word 12">
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23<title>Help for GSAS-II</title>
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25 <o:DocumentProperties>
26  <o:Author>Von Dreele</o:Author>
27  <o:LastAuthor>Von Dreele</o:LastAuthor>
28  <o:Revision>24</o:Revision>
29  <o:TotalTime>1589</o:TotalTime>
30  <o:Created>2011-11-28T16:49:00Z</o:Created>
31  <o:LastSaved>2011-11-30T16:07:00Z</o:LastSaved>
32  <o:Pages>2</o:Pages>
33  <o:Words>2017</o:Words>
34  <o:Characters>11500</o:Characters>
35  <o:Company>Argonne National Laboratory</o:Company>
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39  <o:Version>12.00</o:Version>
40 </o:DocumentProperties>
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380        font-size:12.0pt;
381        font-family:"Times New Roman","serif";
382        mso-fareast-font-family:"Times New Roman";
383        mso-fareast-theme-font:minor-fareast;}
384h1
385        {mso-style-priority:9;
386        mso-style-unhide:no;
387        mso-style-qformat:yes;
388        mso-style-link:"Heading 1 Char";
389        mso-margin-top-alt:auto;
390        margin-right:0in;
391        mso-margin-bottom-alt:auto;
392        margin-left:0in;
393        mso-pagination:widow-orphan;
394        mso-outline-level:1;
395        font-size:24.0pt;
396        font-family:"Times New Roman","serif";
397        mso-fareast-font-family:"Times New Roman";
398        mso-fareast-theme-font:minor-fareast;
399        font-weight:bold;}
400h2
401        {mso-style-priority:9;
402        mso-style-unhide:no;
403        mso-style-qformat:yes;
404        mso-style-link:"Heading 2 Char";
405        mso-margin-top-alt:auto;
406        margin-right:0in;
407        mso-margin-bottom-alt:auto;
408        margin-left:0in;
409        mso-pagination:widow-orphan;
410        mso-outline-level:2;
411        font-size:18.0pt;
412        font-family:"Times New Roman","serif";
413        mso-fareast-font-family:"Times New Roman";
414        mso-fareast-theme-font:minor-fareast;
415        font-weight:bold;}
416h3
417        {mso-style-priority:9;
418        mso-style-unhide:no;
419        mso-style-qformat:yes;
420        mso-style-link:"Heading 3 Char";
421        mso-margin-top-alt:auto;
422        margin-right:0in;
423        mso-margin-bottom-alt:auto;
424        margin-left:0in;
425        mso-pagination:widow-orphan;
426        mso-outline-level:3;
427        font-size:13.5pt;
428        font-family:"Times New Roman","serif";
429        mso-fareast-font-family:"Times New Roman";
430        mso-fareast-theme-font:minor-fareast;
431        font-weight:bold;}
432h4
433        {mso-style-noshow:yes;
434        mso-style-priority:9;
435        mso-style-qformat:yes;
436        mso-style-link:"Heading 4 Char";
437        mso-style-next:Normal;
438        margin-top:10.0pt;
439        margin-right:0in;
440        margin-bottom:0in;
441        margin-left:0in;
442        margin-bottom:.0001pt;
443        mso-pagination:widow-orphan lines-together;
444        page-break-after:avoid;
445        mso-outline-level:4;
446        font-size:13.0pt;
447        font-family:"Cambria","serif";
448        mso-ascii-font-family:Cambria;
449        mso-ascii-theme-font:major-latin;
450        mso-fareast-font-family:"Times New Roman";
451        mso-fareast-theme-font:major-fareast;
452        mso-hansi-font-family:Cambria;
453        mso-hansi-theme-font:major-latin;
454        mso-bidi-font-family:"Times New Roman";
455        mso-bidi-theme-font:major-bidi;
456        color:#4F81BD;
457        mso-themecolor:accent1;
458        font-weight:bold;
459        font-style:italic;}
460a:link, span.MsoHyperlink
461        {mso-style-priority:99;
462        color:blue;
463        text-decoration:underline;
464        text-underline:single;}
465a:visited, span.MsoHyperlinkFollowed
466        {mso-style-noshow:yes;
467        mso-style-priority:99;
468        color:purple;
469        text-decoration:underline;
470        text-underline:single;}
471h5
472        {mso-style-priority:9;
473        mso-style-unhide:no;
474        mso-style-qformat:yes;
475        mso-style-link:"Heading 5 Char";
476        mso-margin-top-alt:auto;
477        margin-right:0in;
478        mso-margin-bottom-alt:auto;
479        margin-left:0in;
480        mso-pagination:widow-orphan;
481        mso-outline-level:5;
482        font-size:12.0pt;
483        font-family:"Times New Roman","serif";
484        mso-fareast-font-family:"Times New Roman";
485        mso-fareast-theme-font:minor-fareast;
486        color:#4F4FFF;
487        font-weight:bold;}
488p
489        {mso-style-noshow:yes;
490        mso-style-priority:99;
491        mso-margin-top-alt:auto;
492        margin-right:0in;
493        mso-margin-bottom-alt:auto;
494        margin-left:0in;
495        mso-pagination:widow-orphan;
496        font-size:12.0pt;
497        font-family:"Times New Roman","serif";
498        mso-fareast-font-family:"Times New Roman";
499        mso-fareast-theme-font:minor-fareast;}
500pre
501        {mso-style-noshow:yes;
502        mso-style-priority:99;
503        mso-style-link:"HTML Preformatted Char";
504        margin:0in;
505        margin-bottom:.0001pt;
506        mso-pagination:widow-orphan;
507        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;
508        font-size:10.0pt;
509        font-family:"Courier New";
510        mso-fareast-font-family:"Times New Roman";}
511p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
512        {mso-style-noshow:yes;
513        mso-style-priority:99;
514        mso-style-link:"Balloon Text Char";
515        margin:0in;
516        margin-bottom:.0001pt;
517        mso-pagination:widow-orphan;
518        font-size:8.0pt;
519        font-family:"Tahoma","sans-serif";
520        mso-fareast-font-family:"Times New Roman";
521        mso-fareast-theme-font:minor-fareast;}
522span.MsoPlaceholderText
523        {mso-style-noshow:yes;
524        mso-style-priority:99;
525        mso-style-unhide:no;
526        color:gray;}
527p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
528        {mso-style-noshow:yes;
529        mso-style-priority:34;
530        mso-style-unhide:no;
531        mso-style-qformat:yes;
532        margin-top:0in;
533        margin-right:0in;
534        margin-bottom:0in;
535        margin-left:.5in;
536        margin-bottom:.0001pt;
537        mso-add-space:auto;
538        mso-pagination:widow-orphan;
539        font-size:12.0pt;
540        font-family:"Times New Roman","serif";
541        mso-fareast-font-family:"Times New Roman";
542        mso-fareast-theme-font:minor-fareast;}
543p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
544        {mso-style-noshow:yes;
545        mso-style-priority:34;
546        mso-style-unhide:no;
547        mso-style-qformat:yes;
548        mso-style-type:export-only;
549        margin-top:0in;
550        margin-right:0in;
551        margin-bottom:0in;
552        margin-left:.5in;
553        margin-bottom:.0001pt;
554        mso-add-space:auto;
555        mso-pagination:widow-orphan;
556        font-size:12.0pt;
557        font-family:"Times New Roman","serif";
558        mso-fareast-font-family:"Times New Roman";
559        mso-fareast-theme-font:minor-fareast;}
560p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
561        {mso-style-noshow:yes;
562        mso-style-priority:34;
563        mso-style-unhide:no;
564        mso-style-qformat:yes;
565        mso-style-type:export-only;
566        margin-top:0in;
567        margin-right:0in;
568        margin-bottom:0in;
569        margin-left:.5in;
570        margin-bottom:.0001pt;
571        mso-add-space:auto;
572        mso-pagination:widow-orphan;
573        font-size:12.0pt;
574        font-family:"Times New Roman","serif";
575        mso-fareast-font-family:"Times New Roman";
576        mso-fareast-theme-font:minor-fareast;}
577p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
578        {mso-style-noshow:yes;
579        mso-style-priority:34;
580        mso-style-unhide:no;
581        mso-style-qformat:yes;
582        mso-style-type:export-only;
583        margin-top:0in;
584        margin-right:0in;
585        margin-bottom:0in;
586        margin-left:.5in;
587        margin-bottom:.0001pt;
588        mso-add-space:auto;
589        mso-pagination:widow-orphan;
590        font-size:12.0pt;
591        font-family:"Times New Roman","serif";
592        mso-fareast-font-family:"Times New Roman";
593        mso-fareast-theme-font:minor-fareast;}
594span.Heading1Char
595        {mso-style-name:"Heading 1 Char";
596        mso-style-priority:9;
597        mso-style-unhide:no;
598        mso-style-locked:yes;
599        mso-style-link:"Heading 1";
600        mso-ansi-font-size:14.0pt;
601        mso-bidi-font-size:14.0pt;
602        font-family:"Cambria","serif";
603        mso-ascii-font-family:Cambria;
604        mso-ascii-theme-font:major-latin;
605        mso-fareast-font-family:"Times New Roman";
606        mso-fareast-theme-font:major-fareast;
607        mso-hansi-font-family:Cambria;
608        mso-hansi-theme-font:major-latin;
609        mso-bidi-font-family:"Times New Roman";
610        mso-bidi-theme-font:major-bidi;
611        color:#365F91;
612        mso-themecolor:accent1;
613        mso-themeshade:191;
614        font-weight:bold;}
615span.Heading2Char
616        {mso-style-name:"Heading 2 Char";
617        mso-style-noshow:yes;
618        mso-style-priority:9;
619        mso-style-unhide:no;
620        mso-style-locked:yes;
621        mso-style-link:"Heading 2";
622        mso-ansi-font-size:13.0pt;
623        mso-bidi-font-size:13.0pt;
624        font-family:"Cambria","serif";
625        mso-ascii-font-family:Cambria;
626        mso-ascii-theme-font:major-latin;
627        mso-fareast-font-family:"Times New Roman";
628        mso-fareast-theme-font:major-fareast;
629        mso-hansi-font-family:Cambria;
630        mso-hansi-theme-font:major-latin;
631        mso-bidi-font-family:"Times New Roman";
632        mso-bidi-theme-font:major-bidi;
633        color:#4F81BD;
634        mso-themecolor:accent1;
635        font-weight:bold;}
636span.Heading3Char
637        {mso-style-name:"Heading 3 Char";
638        mso-style-noshow:yes;
639        mso-style-priority:9;
640        mso-style-unhide:no;
641        mso-style-locked:yes;
642        mso-style-link:"Heading 3";
643        mso-ansi-font-size:12.0pt;
644        mso-bidi-font-size:12.0pt;
645        font-family:"Cambria","serif";
646        mso-ascii-font-family:Cambria;
647        mso-ascii-theme-font:major-latin;
648        mso-fareast-font-family:"Times New Roman";
649        mso-fareast-theme-font:major-fareast;
650        mso-hansi-font-family:Cambria;
651        mso-hansi-theme-font:major-latin;
652        mso-bidi-font-family:"Times New Roman";
653        mso-bidi-theme-font:major-bidi;
654        color:#4F81BD;
655        mso-themecolor:accent1;
656        font-weight:bold;}
657span.Heading4Char
658        {mso-style-name:"Heading 4 Char";
659        mso-style-noshow:yes;
660        mso-style-priority:9;
661        mso-style-unhide:no;
662        mso-style-locked:yes;
663        mso-style-link:"Heading 4";
664        mso-ansi-font-size:12.0pt;
665        mso-bidi-font-size:12.0pt;
666        font-family:"Cambria","serif";
667        mso-ascii-font-family:Cambria;
668        mso-ascii-theme-font:major-latin;
669        mso-fareast-font-family:"Times New Roman";
670        mso-fareast-theme-font:major-fareast;
671        mso-hansi-font-family:Cambria;
672        mso-hansi-theme-font:major-latin;
673        mso-bidi-font-family:"Times New Roman";
674        mso-bidi-theme-font:major-bidi;
675        color:#4F81BD;
676        mso-themecolor:accent1;
677        font-weight:bold;
678        font-style:italic;}
679span.HTMLPreformattedChar
680        {mso-style-name:"HTML Preformatted Char";
681        mso-style-noshow:yes;
682        mso-style-priority:99;
683        mso-style-unhide:no;
684        mso-style-locked:yes;
685        mso-style-link:"HTML Preformatted";
686        font-family:"Courier New";
687        mso-ascii-font-family:"Courier New";
688        mso-hansi-font-family:"Courier New";
689        mso-bidi-font-family:"Courier New";}
690span.BalloonTextChar
691        {mso-style-name:"Balloon Text Char";
692        mso-style-noshow:yes;
693        mso-style-priority:99;
694        mso-style-unhide:no;
695        mso-style-locked:yes;
696        mso-style-link:"Balloon Text";
697        mso-ansi-font-size:8.0pt;
698        mso-bidi-font-size:8.0pt;
699        font-family:"Tahoma","sans-serif";
700        mso-ascii-font-family:Tahoma;
701        mso-fareast-font-family:"Times New Roman";
702        mso-fareast-theme-font:minor-fareast;
703        mso-hansi-font-family:Tahoma;
704        mso-bidi-font-family:Tahoma;}
705span.SpellE
706        {mso-style-name:"";
707        mso-spl-e:yes;}
708span.GramE
709        {mso-style-name:"";
710        mso-gram-e:yes;}
711.MsoChpDefault
712        {mso-style-type:export-only;
713        mso-default-props:yes;
714        font-size:10.0pt;
715        mso-ansi-font-size:10.0pt;
716        mso-bidi-font-size:10.0pt;}
717@page WordSection1
718        {size:8.5in 11.0in;
719        margin:1.0in 1.0in 1.0in 1.0in;
720        mso-header-margin:.5in;
721        mso-footer-margin:.5in;
722        mso-paper-source:0;}
723div.WordSection1
724        {page:WordSection1;}
725 /* List Definitions */
726 @list l0
727        {mso-list-id:359092647;
728        mso-list-type:hybrid;
729        mso-list-template-ids:1777530928 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
730@list l0:level1
731        {mso-level-tab-stop:none;
732        mso-level-number-position:left;
733        text-indent:-.25in;}
734@list l0:level2
735        {mso-level-tab-stop:1.0in;
736        mso-level-number-position:left;
737        text-indent:-.25in;}
738@list l0:level3
739        {mso-level-tab-stop:1.5in;
740        mso-level-number-position:left;
741        text-indent:-.25in;}
742@list l0:level4
743        {mso-level-tab-stop:2.0in;
744        mso-level-number-position:left;
745        text-indent:-.25in;}
746@list l0:level5
747        {mso-level-tab-stop:2.5in;
748        mso-level-number-position:left;
749        text-indent:-.25in;}
750@list l0:level6
751        {mso-level-tab-stop:3.0in;
752        mso-level-number-position:left;
753        text-indent:-.25in;}
754@list l0:level7
755        {mso-level-tab-stop:3.5in;
756        mso-level-number-position:left;
757        text-indent:-.25in;}
758@list l0:level8
759        {mso-level-tab-stop:4.0in;
760        mso-level-number-position:left;
761        text-indent:-.25in;}
762@list l0:level9
763        {mso-level-tab-stop:4.5in;
764        mso-level-number-position:left;
765        text-indent:-.25in;}
766@list l1
767        {mso-list-id:656106218;
768        mso-list-type:hybrid;
769        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
770@list l1:level1
771        {mso-level-tab-stop:none;
772        mso-level-number-position:left;
773        text-indent:-.25in;}
774@list l1:level2
775        {mso-level-tab-stop:1.0in;
776        mso-level-number-position:left;
777        text-indent:-.25in;}
778@list l1:level3
779        {mso-level-tab-stop:1.5in;
780        mso-level-number-position:left;
781        text-indent:-.25in;}
782@list l1:level4
783        {mso-level-tab-stop:2.0in;
784        mso-level-number-position:left;
785        text-indent:-.25in;}
786@list l1:level5
787        {mso-level-tab-stop:2.5in;
788        mso-level-number-position:left;
789        text-indent:-.25in;}
790@list l1:level6
791        {mso-level-tab-stop:3.0in;
792        mso-level-number-position:left;
793        text-indent:-.25in;}
794@list l1:level7
795        {mso-level-tab-stop:3.5in;
796        mso-level-number-position:left;
797        text-indent:-.25in;}
798@list l1:level8
799        {mso-level-tab-stop:4.0in;
800        mso-level-number-position:left;
801        text-indent:-.25in;}
802@list l1:level9
803        {mso-level-tab-stop:4.5in;
804        mso-level-number-position:left;
805        text-indent:-.25in;}
806@list l2
807        {mso-list-id:734669460;
808        mso-list-type:hybrid;
809        mso-list-template-ids:1679557810 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
810@list l2:level1
811        {mso-level-tab-stop:none;
812        mso-level-number-position:left;
813        text-indent:-.25in;}
814@list l2:level2
815        {mso-level-tab-stop:1.0in;
816        mso-level-number-position:left;
817        text-indent:-.25in;}
818@list l2:level3
819        {mso-level-tab-stop:1.5in;
820        mso-level-number-position:left;
821        text-indent:-.25in;}
822@list l2:level4
823        {mso-level-tab-stop:2.0in;
824        mso-level-number-position:left;
825        text-indent:-.25in;}
826@list l2:level5
827        {mso-level-tab-stop:2.5in;
828        mso-level-number-position:left;
829        text-indent:-.25in;}
830@list l2:level6
831        {mso-level-tab-stop:3.0in;
832        mso-level-number-position:left;
833        text-indent:-.25in;}
834@list l2:level7
835        {mso-level-tab-stop:3.5in;
836        mso-level-number-position:left;
837        text-indent:-.25in;}
838@list l2:level8
839        {mso-level-tab-stop:4.0in;
840        mso-level-number-position:left;
841        text-indent:-.25in;}
842@list l2:level9
843        {mso-level-tab-stop:4.5in;
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1008ol
1009        {margin-bottom:0in;}
1010ul
1011        {margin-bottom:0in;}
1012-->
1013</style>
1014<!--[if gte mso 10]>
1015<style>
1016 /* Style Definitions */
1017 table.MsoNormalTable
1018        {mso-style-name:"Table Normal";
1019        mso-tstyle-rowband-size:0;
1020        mso-tstyle-colband-size:0;
1021        mso-style-noshow:yes;
1022        mso-style-priority:99;
1023        mso-style-qformat:yes;
1024        mso-style-parent:"";
1025        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1026        mso-para-margin:0in;
1027        mso-para-margin-bottom:.0001pt;
1028        mso-pagination:widow-orphan;
1029        font-size:10.0pt;
1030        font-family:"Times New Roman","serif";}
1031</style>
1032<![endif]--><!--[if gte mso 9]><xml>
1033 <o:shapedefaults v:ext="edit" spidmax="6146"/>
1034</xml><![endif]--><!--[if gte mso 9]><xml>
1035 <o:shapelayout v:ext="edit">
1036  <o:idmap v:ext="edit" data="1"/>
1037 </o:shapelayout></xml><![endif]-->
1038</head>
1039
1040<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1041
1042<div class=WordSection1>
1043
1044<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1045 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1046 stroked="f">
1047 <v:stroke joinstyle="miter"/>
1048 <v:formulas>
1049  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
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1064</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1035" type="#_x0000_t75"
1065 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0;
1066 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square;
1067 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
1068 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1069 mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1070 mso-position-vertical-relative:line' o:allowoverlap="f">
1071 <v:imagedata src="gsas2logo.png"/>
1072 <w:wrap type="square" anchory="line"/>
1073</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1074align=right alt="GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1075style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1076
1077<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1078is where to find help on various GSAS-II windows and plots.
1079Note that GSAS-II operates with three windows: the main <a href="#Data_tree">
1080GSAS-II data tree</A> window, which provides a hierarchical view of
1081  the current project; the <a href="#Data_Frame">
1082GSAS-II data editing</A> window, which shows the contents of a
1083  particular section of the project, where values can be examined and
1084changed; and the <a href="#Plots">
1085GSAS-II Plots</A> window, which shows graphical representations of the results.
1086  <o:p></o:p></span></p>
1087
1088<P><hr><hr>
1089  <h2><a name="Data_tree"><span style='mso-fareast-font-family:"Times
1090  New Roman"'>1. GSAS-II
1091data tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
1092
1093<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1094is a hierarchical view of the data items in your GSAS-II project (name.gpx). Clicking
1095on any item in the window opens a view where information in that item can be
1096viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
1097Parameters&quot;</a> item contains information about how data were collected,
1098such as the sample temperature <a href="#Sample_Parameters">(see below)</a>. <o:p></o:p></span></p>
1099
1100<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1101The menus associated with this window provide access to many features
1102of GSAS-II, as outlined below:
1103<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1104style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1105style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1106&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211;</p>
1107
1108<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1109auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1110style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1111style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1112style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
1113saved GSAS-II project file (name.gpx). If you currently have a project file
1114open, you are asked if it is OK to over write it; Cancel will cancel the
1115process.</p>
1116
1117<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1118auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1119style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1120style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1121style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
1122project. If a file name is shown after &#8216;Loaded <span class=GramE>Data:&#8217;<span
1123style='mso-fareast-font-family:"Times New Roman"'>,</span></span><span
1124style='mso-fareast-font-family:"Times New Roman"'> it will be saved there.
1125Otherwise, you will be prompted for a new name in a file dialog (you may change
1126directory as well). If the file exists, you will be asked if it OK to
1127overwrite.</span></p>
1128
1129<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1130auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1131style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1133style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
1134As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
1135Save the current project to a new file. A file dialog will be shown to enter
1136the name (and change directory if desired). If the file exists, you will be
1137asked if it OK to overwrite.</span></p>
1138
1139<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1140auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1141style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1142style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1143style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
1144project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1145&#8211; Close the current project; you will be asked if you want to save it
1146first.</span></p>
1147
1148<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1149auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1150style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1151style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1152style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
1153style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
1154program; if there is a current project you will be asked if you want to save it
1155first. Pressing the red X in the upper right (Windows) also exits (no save
1156option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
1157
1158<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1159style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1160style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1161&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
1162
1163<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1164auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1165style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1166style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1167style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
1168powder diffraction patterns (multiple patterns can be selected). GSAS-II can
1169read most of the old GSAS powder format files with the position in <span
1170class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
1171class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
1172where the position is in degrees 2-theta. As each file is read, an old GSAS
1173style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
1174class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
1175data set is assumed. </p>
1176
1177<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1178auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1179style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1180style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1181style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - </p>
1182
1183<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1184auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1185style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1186style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1187style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - </p>
1188
1189<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1190auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1191style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1192style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1193style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
1194
1195<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1196auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1197style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1198style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1199style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
1200
1201<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1202auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1203style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1204style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1205style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
1206
1207<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1208auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1209style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
1210style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1211style='mso-bidi-font-weight:normal'>Add phase</b> - </p>
1212
1213<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1214auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1215style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
1216style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1217style='mso-bidi-font-weight:normal'>Delete phase</b> - </p>
1218
1219<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1220auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1221style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
1222style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1223</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
1224data</b> - </p>
1225
1226<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1227auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1228style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
1229style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1230</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
1231data</b> - </p>
1232
1233<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1234style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1235style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1236&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
1237
1238<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1239auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1240style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1241style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1242style='mso-bidi-font-weight:normal'>Make new PDFs</b> - </p>
1243
1244<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1245auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1246style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1247style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1248style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
1249- </p>
1250
1251<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1252auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1253style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1254style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1255style='mso-bidi-font-weight:normal'>Refine</b> - </p>
1256
1257<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1258auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1259style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1260style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1261style='mso-bidi-font-weight:normal'>Sequential refine</b> - </p>
1262
1263<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1264auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1265style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1266style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1267style='mso-bidi-font-weight:normal'>Solve</b> - </p>
1268
1269<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1270style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1271style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1272&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
1273
1274<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1275auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1276style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1277style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1278style='mso-bidi-font-weight:normal'>Import GSAS Exp phase&#8230;</b> - </p>
1279
1280<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1281auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1282style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1283style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1284style='mso-bidi-font-weight:normal'>Import PDB phase&#8230;</b> - </p>
1285
1286<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1287auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1288style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1289style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1290style='mso-bidi-font-weight:normal'>Import CIF phase&#8230;</b> - </p>
1291
1292<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1293auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1294style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1295style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1296style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
1297
1298<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span
1299style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1300style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1301&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
1302
1303<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1304auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1305style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1306style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1307style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
1308
1309<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1310auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1311style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1312style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1313style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
1314
1315<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1316auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1317style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1318style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1319style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
1320
1321<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1322auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1323style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1324style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1325style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
1326
1327<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1328auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1329style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1330style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1331style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
1332
1333<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
1334text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span
1335style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1336style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1337style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
1338
1339<P><hr><hr>
1340<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times
1341New Roman"'>2. GSAS-II
1342Data Editing Window</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
1343Different information is displayed in the Data Editing Window,
1344depending on which section of the <a href="#Data_tree">data tree</A>
1345is selected. For example, clicking on the "Notebook" entry of the tree
1346brings up the Notebook editing window described below.
1347
1348<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
1349style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1350
1351<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1352window provides a place for you to enter whatever text commentary you wish.
1353Each time you enter this window, a date/time entry is provided for you. A
1354possibly useful technique is to select a portion of the console window after a
1355refinement completes (it will contain refinement results with residuals, new
1356values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
1357window so it becomes a part of your project file.<o:p></o:p></span></p>
1358
1359<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
1360style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1361
1362<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1363window provides the main controls for the major calculations in GSAS-II. At
1364present only Refinement Controls are presented.<o:p></o:p></span></p>
1365
1366<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1367main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
1368MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
1369algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
1370package. Their purpose is to </span>minimize the sum of the squares of M<span
1371style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
1372variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
1373algorithm as written by </span>Burton S. <span class=SpellE>Garbow</span>,
1374Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
1375J. <span class=GramE>More (Argonne National Laboratory, 1980).</span></p>
1376
1377<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1378
1379<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span
1380style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1381style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1382style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
1383uses &#8216;analytic&#8217; or &#8216;numeric&#8217; derivatives. The latter is
1384slower and perhaps a bit less accurate, but may be needed if the analytic
1385functions are not fully developed. Generally use &#8216;analytic&#8217; for
1386routine work.<o:p></o:p></span></p>
1387
1388<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span
1389style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1390style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1391style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
1392delta-M/M&#8217; for convergence; the refinement will stop when the change in
1393the minimization function is less than this value. Set Min delta-M/M = 1.0 to
1394force just a single cycle to be performed. A value less than 10<sup>-4</sup>
1395(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
1396to 1.0.<o:p></o:p></span></p>
1397
1398<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span
1399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1401style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Initial shift
1402factor&#8217; for the first cycle of refinement. This value is modified by the
1403least squares routine. The allowed range is 10<sup>-5</sup> to 100. Smaller
1404values may be needed if your initial <span class=GramE>refinement</span> trials
1405immediately diverge, however make sure your starting parameter values are
1406&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
1407performance.<o:p></o:p></span></p>
1408
1409<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span
1410style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1411style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1412style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
1413refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
1414
1415<h4><span style='mso-fareast-font-family:"Times New Roman"'>Covariance<o:p></o:p></span></h4>
1416
1417<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1418window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
1419shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
1420
1421<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
1422
1423<span style='mso-bookmark:Constraints'></span>
1424
1425<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1426window shows the constraints to be used in a refinement. It is organized into
1427three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
1428parameters that describe aspects of the crystalline phases to be used in the
1429refinement (e.g. atom coordinates, thermal motion and site fraction
1430parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
1431aspects of the pattern that depend on both the phase and the data set used in
1432the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
1433"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
1434and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
1435that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
1436and Y).<o:p></o:p></span></p>
1437
1438<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1439
1440<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
1441style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1442style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1443style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the parameter
1444types you wish to constrain. Each will have the same possibilities in the
1445&#8216;Edit menu.<o:p></o:p></span></p>
1446
1447<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span
1448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1450style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
1451style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
1452
1453<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1454auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
1455style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1456style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1457class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
1458"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
1459style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
1460style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
1461that you wish to remain fixed although other parameters of the same type may be
1462selected as a group for refinement. For example, if the space group for a phase
1463has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
1464is arbitrary and should be selected for a Hold to keep the structure from
1465drifting up or down the y-axis during refinement. If selected, a dialog box
1466will appear showing the list of available parameters; select one and then OK to
1467implement it, Cancel will cancel the operation. The held parameter will be
1468shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
1469button can be used to remove it.<o:p></o:p></span></p>
1470
1471<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1472auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
1473style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1474style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1475style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
1476equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1477&#8211; select a list of parameters that should have the same value (possibly
1478with a non-unitary multiplier for some). Examples are a list of atoms with the
1479same thermal motion <span class=SpellE>Uiso</span>, sets of profile
1480coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
1481selected, a dialog box will appear with a list of the available parameters.
1482Select one and press OK; a second dialog box will appear with only those
1483parameters that can be made equivalent to the first one. Choose those and press
1484OK. Cancel in either dialog will cancel the operation. The equivalenced
1485parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
1486usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
1487button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
1488equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
1489
1490<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1491auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
1492style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1493style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1494style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
1495constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1496&#8211; select a list of parameters whose sum (with possible non-unitary
1497multipliers) is fixed. For example, the sum of site fractions for atoms on the
1498same site could be fixed to unity. If selected, a dialog box will appear with a
1499list of the available parameters. Select one and press OK; a second dialog box
1500will appear with only those parameters that can be used in a constraint with
1501the first one. Choose those and press OK. Cancel in either dialog will cancel
1502the operation. The equivalenced parameters will show as an equation of the form
1503M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
1504multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
1505the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
1506constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
1507
1508<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
1509text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span
1510style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1511style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1512style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
1513function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1514&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
1515the result of the sum can be varied in the refinement. The keyword
1516&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
1517indicates your choice to refine the result of the sum. A Delete button can be
1518used to remove it.<o:p></o:p></span></p>
1519
1520<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
1521style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1522
1523<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1524window... <o:p></o:p></span></p>
1525
1526<h4><a name=Limits><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></a><span
1527style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1528
1529<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1530window shows the limits in position to be used in any fitting for this powder
1531pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
1532maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
1533needed.<o:p></o:p></span></p>
1534
1535<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1536
1537<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
1538style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1539style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1540style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
1541style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <b
1542style='mso-bidi-font-weight:normal'>Copy</b> - this copies the limits shown to
1543other selected powder patterns. If used, a dialog box (Copy Limits) will appear
1544showing the list of available powder patterns, you can copy the limits to any
1545or all of them; select &#8216;All&#8217; to copy them to all patterns. Then
1546select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the
1547operation.<o:p></o:p></span></p>
1548
1549<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span
1550style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1551style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1552style='mso-fareast-font-family:"Times New Roman"'>You can change <span
1553class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
1554&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
1555changed (the background on the box will be blue or have a black border or a
1556vertical bar will appear in the value), then enter the new value and press
1557Enter or click the mouse elsewhere in the Background window. This will set the
1558new value.<o:p></o:p></span></p>
1559
1560
1561<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture Control
1562Window<o:p></o:p></span></h4>
1563
1564<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1565window... <o:p></o:p></span></p>
1566
1567<h4><span style='mso-fareast-font-family:"Times New Roman"'>Image Masks<o:p></o:p></span></h4>
1568
1569<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1570window... <o:p></o:p></span></p>
1571
1572<h4><span style='mso-fareast-font-family:"Times New Roman"'>Atoms Control
1573Window<o:p></o:p></span></h4>
1574
1575<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1576window... <o:p></o:p></span></p>
1577
1578<h3><span style='mso-fareast-font-family:"Times New Roman"'>Diffraction Data
1579Control Window<o:p></o:p></span></h3>
1580
1581<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1582window... <o:p></o:p></span></p>
1583
1584<h3><span style='mso-fareast-font-family:"Times New Roman"'>Draw Atoms Control
1585Window<o:p></o:p></span></h3>
1586
1587<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1588window... <o:p></o:p></span></p>
1589
1590<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pawley Control
1591Window<o:p></o:p></span></h3>
1592
1593<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1594window... <o:p></o:p></span></p>
1595
1596<h3><a name=Images><span style='mso-fareast-font-family:"Times New Roman"'>Images
1597Control<o:p></o:p></span></a></h3>
1598
1599<span style='mso-bookmark:Images'></span>
1600
1601<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1602window... <o:p></o:p></span></p>
1603
1604<h3><span style='mso-fareast-font-family:"Times New Roman"'>PDF Controls
1605Control Window<o:p></o:p></span></h3>
1606
1607<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1608window... <o:p></o:p></span></p>
1609
1610<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1611
1612<H3>Phase Windows</H3>
1613When a phase is selected from the <a href="#Data_tree">data tree</A>,
1614parameters are show from that selected phase in a tabbed
1615window. Clicking on the tab raises the windows listed below.
1616<blockquote>
1617<A name="General"><H4><U>General</U> Phase Parameters</H4></A>
1618This is used for overall parameters describing the phase such as the
1619space group, the unit cell parameters and overall parameters for
1620the atom present in the phase.
1621<A name="Data"><H4>Sample <U>Data</U></H4></A>
1622<A name="Texture"><H4><U>Texture</U> Parameters</H4></A>
1623<A name="Atoms"><H4><U>Atom</U> Parameter<U>s</U></H4></A>
1624<A name="Draw_Options"><H4><U>Draw Options</U></H4></A>
1625<A name="Draw_Atoms"><H4><U>Draw Atoms</U></H4></A>
1626
1627</blockquote>
1628
1629<H3>Powder Histogram Windows</H3>
1630When a powder diffraction data set (histogram) is selected from the
1631<a href="#Data_tree">data tree</A>, a variety of subcategories in the
1632tree are shown. The items that are shown depend on the data set type.
1633Selecting a subcategory raises the window listed below.
1634<blockquote>
1635<A name=""><H4><U></U></H4></A>
1636<A name="Comments"><H4><U>Comments</U></H4></A>
1637
1638<h4><a name=Background><span style='mso-fareast-font-family:"Times New Roman"'>Background</span></a><span
1639style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1640
1641<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1642window shows the choice of background function and coefficients to be used in
1643fitting this powder pattern.<o:p></o:p></span></p>
1644
1645<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1646
1647<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span
1648style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1649style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1650style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
1651style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <b
1652style='mso-bidi-font-weight:normal'>Copy</b> &#8211; this copies the background
1653parameters shown to other selected powder patterns. If used, a dialog box (Copy
1654Parameters) will appear showing the list of available powder patterns, you can
1655copy the background parameters to any or all of them; select &#8216;All&#8217;
1656to copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
1657&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
1658
1659<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span
1660style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1661style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1662style='mso-fareast-font-family:"Times New Roman"'>You can select a different
1663Background function from the pull down tab.<o:p></o:p></span></p>
1664
1665<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span
1666style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1667style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1668style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
1669refine the background coefficients.<o:p></o:p></span></p>
1670
1671<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span
1672style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1673style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1674style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
1675background coefficients to be used (1-36).<o:p></o:p></span></p>
1676
1677<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span
1678style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1679style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1680style='mso-fareast-font-family:"Times New Roman"'>You can change individual
1681background coefficient values. Enter the value then press Enter or click the
1682mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
1683
1684<h4><a name="Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
1685Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1686
1687<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1688window... <o:p></o:p></span></p>
1689
1690<h4><a name="Sample_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Sample
1691Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1692
1693<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1694window... <o:p></o:p></span></p>
1695
1696<h4><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
1697Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a><span
1698style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1699
1700<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1701window shows the list of peaks that will be used by the peak fitting refinement.
1702It is filled by picking peaks in the powder pattern displayed in the GSASII
1703Plots window as a sequence of &#8216;+&#8217; marks. See <a
1704href="#Powder_Patterns">Powder Patterns</a> below for details for what can be
1705done on this plot.<o:p></o:p></span></p>
1706
1707<h4><a name="Index_Peaks"><span style='mso-fareast-font-family:"Times New Roman"'>Index
1708Peak List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1709
1710<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1711window shows the list of peaks that will be used for indexing (see </span><a
1712href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
1713Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
1714It must be filled before indexing can proceed. When indexing is completed, this
1715display will show the resulting <span class=SpellE>hkl</span> values for every
1716indexed reflection along with the calculated d-spacing (&#8216;d-<span
1717class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
1718href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
1719Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
1720
1721<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1722
1723<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo12'><![if !supportLists]><span
1724style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1725style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1726style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
1727style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
1728style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
1729positions &amp; intensities from the </span><a href="#Peak_List"><span
1730style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
1731style='mso-fareast-font-family:"Times New Roman"'> to make them available for
1732the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
1733Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
1734href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
1735Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
1736table to the position shown here.<o:p></o:p></span></p>
1737
1738<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo12'><![if !supportLists]><span
1739style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1740style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1741style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
1742peaks from indexing by <span class=SpellE>unchecking</span> the corresponding
1743&#8216;use&#8217; box.<o:p></o:p></span></p>
1744
1745<h4><a name="Cell_Indexing_Refine"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
1746Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1747
1748<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1749window... <o:p></o:p></span></p>
1750
1751<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
1752List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1753
1754<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1755window... <o:p></o:p></span></p>
1756
1757</blockquote>
1758
1759<P><hr><hr>
1760<h2><a name=Plots><span style='mso-fareast-font-family:"Times New
1761Roman"'>3. GSAS-II
1762Plots Window</span></a><span style='mso-bookmark:Plots'></span><span style='mso-fareast-font-family:
1763"Times New Roman";font-weight:normal'> </span><span style='mso-fareast-font-family:
1764"Times New Roman"'><o:p></o:p></span></h2>
1765
1766<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1767window presents all the graphical material as a multipage tabbed set of plots
1768utilizing the <span class=SpellE>matplotlib</span> python package. Each page
1769has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
1770
1771<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
1772mso-no-proof:yes'><img border=0 width=225 height=31
1773src="graphbar.jpg" align="middle"></span><span
1774style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
1775
1776<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
1777are Home, Back, Forward, Pan, Zoom, Save and Help, respectively.
1778<UL>
1779  <LI>Home: returns the plot to the initial scaling
1780  <LI>Back: returns the plot to the previous scaling
1781  <LI>Forward: reverses the action in the previous press(es)
1782  of the Back button
1783  <LI>Pan: allows you to control panning across the plot (press left mouse button) and
1784zooming (press right mouse button),
1785  <LI>Zoom: allows you to select a
1786portion of the plot (press right mouse button &amp; drag for zoom box) for the
1787next plot.
1788  <LI>Save: allows you to save the currently displayed plot in one of
1789several graphical formats suitable for printing or insertion in a document. The
1790  <LI>Help: accesses GSASII help on the specific plot type.
1791</UL>
1792  <o:p></o:p></span></p>
1793
1794<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
1795the toolbar may be a status bar that on the left may show either an instruction
1796for a keyed input or a pull down selection of keyed input; on the right may be
1797displayed position dependent information that is updated as the mouse is moved
1798over the plot region.<o:p></o:p></span></p>
1799
1800<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1801
1802<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1803specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
1804
1805<h4><a name="Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
1806Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1807
1808<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1809powder patterns that are part of your project are shown on this page. They can
1810be displayed as a stack of powder patterns, just a single pattern or as a
1811contour image of the peak intensities. What can be done here will depend on
1812which is displayed and on which item in the GSAS-II data tree you have
1813selected.<o:p></o:p></span></p>
1814<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1815
1816<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
1817style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1818
1819<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1820variance-covariance matrix as a color coded array is shown on this page. The
1821color bar to the right shows the range of <span class=SpellE>covariances</span>
1822(-1 to 1) and corresponding colors. The parameter names are to the right and
1823the parameter numbers are below the plot.<o:p></o:p></span></p>
1824
1825<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1826
1827<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo14'><![if !supportLists]><span
1828style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1829style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
1830the mouse cursor across the plot. If on a diagonal cell, the parameter name,
1831value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
1832right hand portion of the status bar. If the cursor is off the diagonal, the
1833two parameter names and their covariance are shown in the tool tip and the
1834status bar.</p>
1835
1836<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo14'><![if !supportLists]><span
1837style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1838style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1839class=GramE>Type &#8216;s&#8217;</span> &#8211; A color scheme selection dialog
1840is shown. Select a color scheme and press <span class=GramE>OK,</span> the new
1841color scheme will be plotted. The default is &#8216;<span class=SpellE>RdYlGn</span>&#8217;.</p>
1842
1843<h4><a name="Structure_Factors">
1844<span style='mso-fareast-font-family:"Times New Roman"'>
1845Structure Factors
1846</span></a></h4>
1847This plot shows...
1848<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1849
1850<h4><a name="Powder_Lines">
1851<span style='mso-fareast-font-family:"Times New Roman"'>
1852Powder Lines
1853</span></a></h4>
1854This plot shows...
1855<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1856
1857
1858<h4><a name="Peak_Widths">
1859<span style='mso-fareast-font-family:"Times New Roman"'>
1860Peak Widths
1861</span></a></h4>
1862This plot shows...
1863<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1864
1865
1866<h4><a name="Texture">
1867<span style='mso-fareast-font-family:"Times New Roman"'>
1868Texture
1869</span></a></h4>
1870This plot shows...
1871<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1872
1873
1874<h4><a name="Sequential_refinement">
1875<span style='mso-fareast-font-family:"Times New Roman"'>
1876Sequential refinement
1877</span></a></h4>
1878This plot shows...
1879<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1880
1881
1882<h4><a name="2D_Powder_Image">
1883<span style='mso-fareast-font-family:"Times New Roman"'>
18842D Powder Image
1885</span></a></h4>
1886This plot shows...
1887<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1888
1889
1890<h4><a name="2D_Integration">
1891<span style='mso-fareast-font-family:"Times New Roman"'>
18922D Integration
1893</span></a></h4>
1894This plot shows...
1895<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1896
1897
1898<h4><a name="2D_Transformed_Powder_Image">
1899<span style='mso-fareast-font-family:"Times New Roman"'>
19002D Transformed Powder Image
1901</span></a></h4>
1902This plot shows...
1903<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1904
1905
1906<h4><a name="Mustrain">
1907<span style='mso-fareast-font-family:"Times New Roman"'>
1908Mustrain
1909</span></a></h4>
1910This plot shows...
1911<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1912
1913
1914<h4><a name="Size">
1915<span style='mso-fareast-font-family:"Times New Roman"'>
1916Size
1917</span></a></h4>
1918This plot shows...
1919<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1920
1921<h4><a name="Preferred_orientation">
1922<span style='mso-fareast-font-family:"Times New Roman"'>
1923Preferred Orientation
1924</span></a></h4>
1925This plot shows...
1926<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
1927
1928
1929
1930<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1931
1932<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1933
1934<div class=MsoNormal align=center style='text-align:center'><span
1935style='mso-fareast-font-family:"Times New Roman"'>
1936
1937<hr size=2 width="100%" align=center>
1938
1939</span></div>
1940
1941<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last
1942modified: Tue Nov 22 13:19:47 CST 2011 <o:p></o:p></span></p>
1943
1944<!-- hhmts end --></div>
1945
1946</body>
1947
1948</html>
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