source: trunk/help/gsasII.html @ 586

Last change on this file since 586 was 586, checked in by vondreele, 10 years ago

tutorial stuff

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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>81</o:Revision>
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383        mso-style-unhide:no;
384        mso-style-qformat:yes;
385        mso-style-link:"Heading 1 Char";
386        mso-margin-top-alt:auto;
387        margin-right:0in;
388        mso-margin-bottom-alt:auto;
389        margin-left:0in;
390        mso-pagination:widow-orphan;
391        mso-outline-level:1;
392        font-size:24.0pt;
393        font-family:"Times New Roman","serif";
394        mso-fareast-font-family:"Times New Roman";
395        mso-fareast-theme-font:minor-fareast;
396        font-weight:bold;}
397h2
398        {mso-style-priority:9;
399        mso-style-unhide:no;
400        mso-style-qformat:yes;
401        mso-style-link:"Heading 2 Char";
402        mso-margin-top-alt:auto;
403        margin-right:0in;
404        mso-margin-bottom-alt:auto;
405        margin-left:0in;
406        mso-pagination:widow-orphan;
407        mso-outline-level:2;
408        font-size:18.0pt;
409        font-family:"Times New Roman","serif";
410        mso-fareast-font-family:"Times New Roman";
411        mso-fareast-theme-font:minor-fareast;
412        font-weight:bold;}
413h3
414        {mso-style-priority:9;
415        mso-style-unhide:no;
416        mso-style-qformat:yes;
417        mso-style-link:"Heading 3 Char";
418        mso-margin-top-alt:auto;
419        margin-right:0in;
420        mso-margin-bottom-alt:auto;
421        margin-left:0in;
422        mso-pagination:widow-orphan;
423        mso-outline-level:3;
424        font-size:13.5pt;
425        font-family:"Times New Roman","serif";
426        mso-fareast-font-family:"Times New Roman";
427        mso-fareast-theme-font:minor-fareast;
428        font-weight:bold;}
429h4
430        {mso-style-noshow:yes;
431        mso-style-priority:9;
432        mso-style-qformat:yes;
433        mso-style-link:"Heading 4 Char";
434        mso-style-next:Normal;
435        margin-top:10.0pt;
436        margin-right:0in;
437        margin-bottom:0in;
438        margin-left:0in;
439        margin-bottom:.0001pt;
440        mso-pagination:widow-orphan lines-together;
441        page-break-after:avoid;
442        mso-outline-level:4;
443        font-size:13.0pt;
444        font-family:"Cambria","serif";
445        mso-ascii-font-family:Cambria;
446        mso-ascii-theme-font:major-latin;
447        mso-fareast-font-family:"Times New Roman";
448        mso-fareast-theme-font:major-fareast;
449        mso-hansi-font-family:Cambria;
450        mso-hansi-theme-font:major-latin;
451        mso-bidi-font-family:"Times New Roman";
452        mso-bidi-theme-font:major-bidi;
453        color:#4F81BD;
454        mso-themecolor:accent1;
455        font-weight:bold;
456        font-style:italic;}
457h5
458        {mso-style-noshow:yes;
459        mso-style-priority:9;
460        mso-style-qformat:yes;
461        mso-style-link:"Heading 5 Char";
462        mso-margin-top-alt:auto;
463        margin-right:0in;
464        mso-margin-bottom-alt:auto;
465        margin-left:0in;
466        mso-pagination:widow-orphan;
467        mso-outline-level:5;
468        font-size:12.0pt;
469        font-family:"Times New Roman","serif";
470        mso-fareast-font-family:"Times New Roman";
471        mso-fareast-theme-font:minor-fareast;
472        color:#4F4FFF;
473        font-weight:bold;}
474p.MsoTitle, li.MsoTitle, div.MsoTitle
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-priority:10;
508        mso-style-unhide:no;
509        mso-style-qformat:yes;
510        mso-style-link:"Title Char";
511        mso-style-next:Normal;
512        mso-style-type:export-only;
513        margin:0in;
514        margin-bottom:.0001pt;
515        mso-add-space:auto;
516        mso-pagination:widow-orphan;
517        border:none;
518        mso-border-bottom-alt:solid #4F81BD 1.0pt;
519        mso-border-bottom-themecolor:accent1;
520        padding:0in;
521        mso-padding-alt:0in 0in 4.0pt 0in;
522        font-size:26.0pt;
523        font-family:"Cambria","serif";
524        mso-ascii-font-family:Cambria;
525        mso-ascii-theme-font:major-latin;
526        mso-fareast-font-family:"Times New Roman";
527        mso-fareast-theme-font:major-fareast;
528        mso-hansi-font-family:Cambria;
529        mso-hansi-theme-font:major-latin;
530        mso-bidi-font-family:"Times New Roman";
531        mso-bidi-theme-font:major-bidi;
532        color:#17365D;
533        mso-themecolor:text2;
534        mso-themeshade:191;
535        letter-spacing:.25pt;
536        mso-font-kerning:14.0pt;}
537p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
538        {mso-style-priority:10;
539        mso-style-unhide:no;
540        mso-style-qformat:yes;
541        mso-style-link:"Title Char";
542        mso-style-next:Normal;
543        mso-style-type:export-only;
544        margin:0in;
545        margin-bottom:.0001pt;
546        mso-add-space:auto;
547        mso-pagination:widow-orphan;
548        border:none;
549        mso-border-bottom-alt:solid #4F81BD 1.0pt;
550        mso-border-bottom-themecolor:accent1;
551        padding:0in;
552        mso-padding-alt:0in 0in 4.0pt 0in;
553        font-size:26.0pt;
554        font-family:"Cambria","serif";
555        mso-ascii-font-family:Cambria;
556        mso-ascii-theme-font:major-latin;
557        mso-fareast-font-family:"Times New Roman";
558        mso-fareast-theme-font:major-fareast;
559        mso-hansi-font-family:Cambria;
560        mso-hansi-theme-font:major-latin;
561        mso-bidi-font-family:"Times New Roman";
562        mso-bidi-theme-font:major-bidi;
563        color:#17365D;
564        mso-themecolor:text2;
565        mso-themeshade:191;
566        letter-spacing:.25pt;
567        mso-font-kerning:14.0pt;}
568p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
569        {mso-style-priority:10;
570        mso-style-unhide:no;
571        mso-style-qformat:yes;
572        mso-style-link:"Title Char";
573        mso-style-next:Normal;
574        mso-style-type:export-only;
575        margin-top:0in;
576        margin-right:0in;
577        margin-bottom:15.0pt;
578        margin-left:0in;
579        mso-add-space:auto;
580        mso-pagination:widow-orphan;
581        border:none;
582        mso-border-bottom-alt:solid #4F81BD 1.0pt;
583        mso-border-bottom-themecolor:accent1;
584        padding:0in;
585        mso-padding-alt:0in 0in 4.0pt 0in;
586        font-size:26.0pt;
587        font-family:"Cambria","serif";
588        mso-ascii-font-family:Cambria;
589        mso-ascii-theme-font:major-latin;
590        mso-fareast-font-family:"Times New Roman";
591        mso-fareast-theme-font:major-fareast;
592        mso-hansi-font-family:Cambria;
593        mso-hansi-theme-font:major-latin;
594        mso-bidi-font-family:"Times New Roman";
595        mso-bidi-theme-font:major-bidi;
596        color:#17365D;
597        mso-themecolor:text2;
598        mso-themeshade:191;
599        letter-spacing:.25pt;
600        mso-font-kerning:14.0pt;}
601a:link, span.MsoHyperlink
602        {mso-style-noshow:yes;
603        mso-style-priority:99;
604        color:blue;
605        text-decoration:underline;
606        text-underline:single;}
607a:visited, span.MsoHyperlinkFollowed
608        {mso-style-noshow:yes;
609        mso-style-priority:99;
610        color:purple;
611        text-decoration:underline;
612        text-underline:single;}
613p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
614        {mso-style-noshow:yes;
615        mso-style-priority:99;
616        mso-style-link:"Document Map Char";
617        margin:0in;
618        margin-bottom:.0001pt;
619        mso-pagination:widow-orphan;
620        font-size:8.0pt;
621        font-family:"Tahoma","sans-serif";
622        mso-fareast-font-family:"Times New Roman";
623        mso-fareast-theme-font:minor-fareast;}
624p
625        {mso-style-noshow:yes;
626        mso-style-priority:99;
627        mso-margin-top-alt:auto;
628        margin-right:0in;
629        mso-margin-bottom-alt:auto;
630        margin-left:0in;
631        mso-pagination:widow-orphan;
632        font-size:12.0pt;
633        font-family:"Times New Roman","serif";
634        mso-fareast-font-family:"Times New Roman";
635        mso-fareast-theme-font:minor-fareast;}
636pre
637        {mso-style-noshow:yes;
638        mso-style-priority:99;
639        mso-style-link:"HTML Preformatted Char";
640        margin:0in;
641        margin-bottom:.0001pt;
642        mso-pagination:widow-orphan;
643        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;
644        font-size:10.0pt;
645        font-family:"Courier New";
646        mso-fareast-font-family:"Times New Roman";}
647p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
648        {mso-style-noshow:yes;
649        mso-style-priority:99;
650        mso-style-link:"Balloon Text Char";
651        margin:0in;
652        margin-bottom:.0001pt;
653        mso-pagination:widow-orphan;
654        font-size:8.0pt;
655        font-family:"Tahoma","sans-serif";
656        mso-fareast-font-family:"Times New Roman";
657        mso-fareast-theme-font:minor-fareast;}
658span.MsoPlaceholderText
659        {mso-style-noshow:yes;
660        mso-style-priority:99;
661        mso-style-unhide:no;
662        color:gray;}
663p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
664        {mso-style-noshow:yes;
665        mso-style-priority:1;
666        mso-style-unhide:no;
667        mso-style-qformat:yes;
668        mso-style-parent:"";
669        margin:0in;
670        margin-bottom:.0001pt;
671        mso-pagination:widow-orphan;
672        font-size:12.0pt;
673        font-family:"Times New Roman","serif";
674        mso-fareast-font-family:"Times New Roman";
675        mso-fareast-theme-font:minor-fareast;}
676p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
677        {mso-style-noshow:yes;
678        mso-style-priority:34;
679        mso-style-unhide:no;
680        mso-style-qformat:yes;
681        margin-top:0in;
682        margin-right:0in;
683        margin-bottom:0in;
684        margin-left:.5in;
685        margin-bottom:.0001pt;
686        mso-add-space:auto;
687        mso-pagination:widow-orphan;
688        font-size:12.0pt;
689        font-family:"Times New Roman","serif";
690        mso-fareast-font-family:"Times New Roman";
691        mso-fareast-theme-font:minor-fareast;}
692p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
693        {mso-style-noshow:yes;
694        mso-style-priority:34;
695        mso-style-unhide:no;
696        mso-style-qformat:yes;
697        mso-style-type:export-only;
698        margin-top:0in;
699        margin-right:0in;
700        margin-bottom:0in;
701        margin-left:.5in;
702        margin-bottom:.0001pt;
703        mso-add-space:auto;
704        mso-pagination:widow-orphan;
705        font-size:12.0pt;
706        font-family:"Times New Roman","serif";
707        mso-fareast-font-family:"Times New Roman";
708        mso-fareast-theme-font:minor-fareast;}
709p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
710        {mso-style-noshow:yes;
711        mso-style-priority:34;
712        mso-style-unhide:no;
713        mso-style-qformat:yes;
714        mso-style-type:export-only;
715        margin-top:0in;
716        margin-right:0in;
717        margin-bottom:0in;
718        margin-left:.5in;
719        margin-bottom:.0001pt;
720        mso-add-space:auto;
721        mso-pagination:widow-orphan;
722        font-size:12.0pt;
723        font-family:"Times New Roman","serif";
724        mso-fareast-font-family:"Times New Roman";
725        mso-fareast-theme-font:minor-fareast;}
726p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
727        {mso-style-noshow:yes;
728        mso-style-priority:34;
729        mso-style-unhide:no;
730        mso-style-qformat:yes;
731        mso-style-type:export-only;
732        margin-top:0in;
733        margin-right:0in;
734        margin-bottom:0in;
735        margin-left:.5in;
736        margin-bottom:.0001pt;
737        mso-add-space:auto;
738        mso-pagination:widow-orphan;
739        font-size:12.0pt;
740        font-family:"Times New Roman","serif";
741        mso-fareast-font-family:"Times New Roman";
742        mso-fareast-theme-font:minor-fareast;}
743span.MsoIntenseReference
744        {mso-style-priority:32;
745        mso-style-unhide:no;
746        mso-style-qformat:yes;
747        font-variant:small-caps;
748        color:#C0504D;
749        mso-themecolor:accent2;
750        letter-spacing:.25pt;
751        font-weight:bold;
752        text-decoration:underline;
753        text-underline:single;}
754span.Heading1Char
755        {mso-style-name:"Heading 1 Char";
756        mso-style-priority:9;
757        mso-style-unhide:no;
758        mso-style-locked:yes;
759        mso-style-link:"Heading 1";
760        mso-ansi-font-size:14.0pt;
761        mso-bidi-font-size:14.0pt;
762        font-family:"Cambria","serif";
763        mso-ascii-font-family:Cambria;
764        mso-ascii-theme-font:major-latin;
765        mso-fareast-font-family:"Times New Roman";
766        mso-fareast-theme-font:major-fareast;
767        mso-hansi-font-family:Cambria;
768        mso-hansi-theme-font:major-latin;
769        mso-bidi-font-family:"Times New Roman";
770        mso-bidi-theme-font:major-bidi;
771        color:#365F91;
772        mso-themecolor:accent1;
773        mso-themeshade:191;
774        font-weight:bold;}
775span.Heading2Char
776        {mso-style-name:"Heading 2 Char";
777        mso-style-noshow:yes;
778        mso-style-priority:9;
779        mso-style-unhide:no;
780        mso-style-locked:yes;
781        mso-style-link:"Heading 2";
782        mso-ansi-font-size:13.0pt;
783        mso-bidi-font-size:13.0pt;
784        font-family:"Cambria","serif";
785        mso-ascii-font-family:Cambria;
786        mso-ascii-theme-font:major-latin;
787        mso-fareast-font-family:"Times New Roman";
788        mso-fareast-theme-font:major-fareast;
789        mso-hansi-font-family:Cambria;
790        mso-hansi-theme-font:major-latin;
791        mso-bidi-font-family:"Times New Roman";
792        mso-bidi-theme-font:major-bidi;
793        color:#4F81BD;
794        mso-themecolor:accent1;
795        font-weight:bold;}
796span.Heading3Char
797        {mso-style-name:"Heading 3 Char";
798        mso-style-noshow:yes;
799        mso-style-priority:9;
800        mso-style-unhide:no;
801        mso-style-locked:yes;
802        mso-style-link:"Heading 3";
803        mso-ansi-font-size:12.0pt;
804        mso-bidi-font-size:12.0pt;
805        font-family:"Cambria","serif";
806        mso-ascii-font-family:Cambria;
807        mso-ascii-theme-font:major-latin;
808        mso-fareast-font-family:"Times New Roman";
809        mso-fareast-theme-font:major-fareast;
810        mso-hansi-font-family:Cambria;
811        mso-hansi-theme-font:major-latin;
812        mso-bidi-font-family:"Times New Roman";
813        mso-bidi-theme-font:major-bidi;
814        color:#4F81BD;
815        mso-themecolor:accent1;
816        font-weight:bold;}
817span.Heading4Char
818        {mso-style-name:"Heading 4 Char";
819        mso-style-noshow:yes;
820        mso-style-priority:9;
821        mso-style-unhide:no;
822        mso-style-locked:yes;
823        mso-style-link:"Heading 4";
824        mso-ansi-font-size:12.0pt;
825        mso-bidi-font-size:12.0pt;
826        font-family:"Cambria","serif";
827        mso-ascii-font-family:Cambria;
828        mso-ascii-theme-font:major-latin;
829        mso-fareast-font-family:"Times New Roman";
830        mso-fareast-theme-font:major-fareast;
831        mso-hansi-font-family:Cambria;
832        mso-hansi-theme-font:major-latin;
833        mso-bidi-font-family:"Times New Roman";
834        mso-bidi-theme-font:major-bidi;
835        color:#4F81BD;
836        mso-themecolor:accent1;
837        font-weight:bold;
838        font-style:italic;}
839span.Heading5Char
840        {mso-style-name:"Heading 5 Char";
841        mso-style-noshow:yes;
842        mso-style-priority:9;
843        mso-style-unhide:no;
844        mso-style-locked:yes;
845        mso-style-link:"Heading 5";
846        mso-ansi-font-size:12.0pt;
847        mso-bidi-font-size:12.0pt;
848        font-family:"Cambria","serif";
849        mso-ascii-font-family:Cambria;
850        mso-ascii-theme-font:major-latin;
851        mso-fareast-font-family:"Times New Roman";
852        mso-fareast-theme-font:major-fareast;
853        mso-hansi-font-family:Cambria;
854        mso-hansi-theme-font:major-latin;
855        mso-bidi-font-family:"Times New Roman";
856        mso-bidi-theme-font:major-bidi;
857        color:#243F60;
858        mso-themecolor:accent1;
859        mso-themeshade:127;}
860span.HTMLPreformattedChar
861        {mso-style-name:"HTML Preformatted Char";
862        mso-style-noshow:yes;
863        mso-style-priority:99;
864        mso-style-unhide:no;
865        mso-style-locked:yes;
866        mso-style-link:"HTML Preformatted";
867        font-family:"Courier New";
868        mso-ascii-font-family:"Courier New";
869        mso-hansi-font-family:"Courier New";
870        mso-bidi-font-family:"Courier New";}
871span.DocumentMapChar
872        {mso-style-name:"Document Map Char";
873        mso-style-noshow:yes;
874        mso-style-priority:99;
875        mso-style-unhide:no;
876        mso-style-locked:yes;
877        mso-style-link:"Document Map";
878        mso-ansi-font-size:8.0pt;
879        mso-bidi-font-size:8.0pt;
880        font-family:"Tahoma","sans-serif";
881        mso-ascii-font-family:Tahoma;
882        mso-fareast-font-family:"Times New Roman";
883        mso-fareast-theme-font:minor-fareast;
884        mso-hansi-font-family:Tahoma;
885        mso-bidi-font-family:Tahoma;}
886span.BalloonTextChar
887        {mso-style-name:"Balloon Text Char";
888        mso-style-noshow:yes;
889        mso-style-priority:99;
890        mso-style-unhide:no;
891        mso-style-locked:yes;
892        mso-style-link:"Balloon Text";
893        mso-ansi-font-size:8.0pt;
894        mso-bidi-font-size:8.0pt;
895        font-family:"Tahoma","sans-serif";
896        mso-ascii-font-family:Tahoma;
897        mso-fareast-font-family:"Times New Roman";
898        mso-fareast-theme-font:minor-fareast;
899        mso-hansi-font-family:Tahoma;
900        mso-bidi-font-family:Tahoma;}
901span.TitleChar
902        {mso-style-name:"Title Char";
903        mso-style-priority:10;
904        mso-style-unhide:no;
905        mso-style-locked:yes;
906        mso-style-link:Title;
907        mso-ansi-font-size:26.0pt;
908        mso-bidi-font-size:26.0pt;
909        font-family:"Cambria","serif";
910        mso-ascii-font-family:Cambria;
911        mso-ascii-theme-font:major-latin;
912        mso-fareast-font-family:"Times New Roman";
913        mso-fareast-theme-font:major-fareast;
914        mso-hansi-font-family:Cambria;
915        mso-hansi-theme-font:major-latin;
916        mso-bidi-font-family:"Times New Roman";
917        mso-bidi-theme-font:major-bidi;
918        color:#17365D;
919        mso-themecolor:text2;
920        mso-themeshade:191;
921        letter-spacing:.25pt;
922        mso-font-kerning:14.0pt;}
923span.SpellE
924        {mso-style-name:"";
925        mso-spl-e:yes;}
926.MsoChpDefault
927        {mso-style-type:export-only;
928        mso-default-props:yes;
929        font-size:10.0pt;
930        mso-ansi-font-size:10.0pt;
931        mso-bidi-font-size:10.0pt;}
932@page WordSection1
933        {size:8.5in 11.0in;
934        margin:1.0in 1.0in 1.0in 1.0in;
935        mso-header-margin:.5in;
936        mso-footer-margin:.5in;
937        mso-paper-source:0;}
938div.WordSection1
939        {page:WordSection1;}
940 /* List Definitions */
941 @list l0
942        {mso-list-id:142163818;
943        mso-list-type:hybrid;
944        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
945@list l0:level1
946        {mso-level-tab-stop:none;
947        mso-level-number-position:left;
948        text-indent:-.25in;}
949@list l0:level2
950        {mso-level-number-format:alpha-lower;
951        mso-level-tab-stop:none;
952        mso-level-number-position:left;
953        text-indent:-.25in;}
954@list l0:level3
955        {mso-level-number-format:roman-lower;
956        mso-level-tab-stop:none;
957        mso-level-number-position:right;
958        text-indent:-9.0pt;}
959@list l0:level4
960        {mso-level-tab-stop:2.0in;
961        mso-level-number-position:left;
962        text-indent:-.25in;}
963@list l0:level5
964        {mso-level-tab-stop:2.5in;
965        mso-level-number-position:left;
966        text-indent:-.25in;}
967@list l0:level6
968        {mso-level-tab-stop:3.0in;
969        mso-level-number-position:left;
970        text-indent:-.25in;}
971@list l0:level7
972        {mso-level-tab-stop:3.5in;
973        mso-level-number-position:left;
974        text-indent:-.25in;}
975@list l0:level8
976        {mso-level-tab-stop:4.0in;
977        mso-level-number-position:left;
978        text-indent:-.25in;}
979@list l0:level9
980        {mso-level-tab-stop:4.5in;
981        mso-level-number-position:left;
982        text-indent:-.25in;}
983@list l1
984        {mso-list-id:203979460;
985        mso-list-template-ids:88359672;}
986@list l1:level1
987        {mso-level-number-format:bullet;
988        mso-level-text:\F0B7;
989        mso-level-tab-stop:.5in;
990        mso-level-number-position:left;
991        text-indent:-.25in;
992        mso-ansi-font-size:10.0pt;
993        font-family:Symbol;}
994@list l1:level2
995        {mso-level-tab-stop:1.0in;
996        mso-level-number-position:left;
997        text-indent:-.25in;}
998@list l1:level3
999        {mso-level-tab-stop:1.5in;
1000        mso-level-number-position:left;
1001        text-indent:-.25in;}
1002@list l1:level4
1003        {mso-level-tab-stop:2.0in;
1004        mso-level-number-position:left;
1005        text-indent:-.25in;}
1006@list l1:level5
1007        {mso-level-tab-stop:2.5in;
1008        mso-level-number-position:left;
1009        text-indent:-.25in;}
1010@list l1:level6
1011        {mso-level-tab-stop:3.0in;
1012        mso-level-number-position:left;
1013        text-indent:-.25in;}
1014@list l1:level7
1015        {mso-level-tab-stop:3.5in;
1016        mso-level-number-position:left;
1017        text-indent:-.25in;}
1018@list l1:level8
1019        {mso-level-tab-stop:4.0in;
1020        mso-level-number-position:left;
1021        text-indent:-.25in;}
1022@list l1:level9
1023        {mso-level-tab-stop:4.5in;
1024        mso-level-number-position:left;
1025        text-indent:-.25in;}
1026@list l2
1027        {mso-list-id:268514595;
1028        mso-list-type:hybrid;
1029        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1030@list l2:level1
1031        {mso-level-number-format:alpha-lower;
1032        mso-level-tab-stop:none;
1033        mso-level-number-position:left;
1034        margin-left:1.0in;
1035        text-indent:-.25in;
1036        mso-ansi-font-weight:normal;}
1037@list l2:level2
1038        {mso-level-tab-stop:1.0in;
1039        mso-level-number-position:left;
1040        text-indent:-.25in;}
1041@list l2:level3
1042        {mso-level-tab-stop:112.5pt;
1043        mso-level-number-position:left;
1044        margin-left:112.5pt;
1045        text-indent:-.25in;}
1046@list l2:level4
1047        {mso-level-tab-stop:2.0in;
1048        mso-level-number-position:left;
1049        text-indent:-.25in;}
1050@list l2:level5
1051        {mso-level-tab-stop:2.5in;
1052        mso-level-number-position:left;
1053        text-indent:-.25in;}
1054@list l2:level6
1055        {mso-level-tab-stop:3.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l2:level7
1059        {mso-level-tab-stop:3.5in;
1060        mso-level-number-position:left;
1061        text-indent:-.25in;}
1062@list l2:level8
1063        {mso-level-tab-stop:4.0in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l2:level9
1067        {mso-level-tab-stop:4.5in;
1068        mso-level-number-position:left;
1069        text-indent:-.25in;}
1070@list l3
1071        {mso-list-id:301277244;
1072        mso-list-template-ids:-445226636;}
1073@list l3:level1
1074        {mso-level-tab-stop:none;
1075        mso-level-number-position:left;
1076        text-indent:-.25in;}
1077@list l3:level2
1078        {mso-level-number-format:alpha-lower;
1079        mso-level-tab-stop:1.0in;
1080        mso-level-number-position:left;
1081        text-indent:-.25in;}
1082@list l3:level3
1083        {mso-level-tab-stop:1.5in;
1084        mso-level-number-position:left;
1085        text-indent:-.25in;}
1086@list l3:level4
1087        {mso-level-number-format:alpha-lower;
1088        mso-level-tab-stop:2.0in;
1089        mso-level-number-position:left;
1090        text-indent:-.25in;}
1091@list l3:level5
1092        {mso-level-tab-stop:2.5in;
1093        mso-level-number-position:left;
1094        text-indent:-.25in;}
1095@list l3:level6
1096        {mso-level-tab-stop:3.0in;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l3:level7
1100        {mso-level-tab-stop:3.5in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l3:level8
1104        {mso-level-tab-stop:4.0in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l3:level9
1108        {mso-level-tab-stop:4.5in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l4
1112        {mso-list-id:424421782;
1113        mso-list-template-ids:-445226636;}
1114@list l4:level1
1115        {mso-level-tab-stop:none;
1116        mso-level-number-position:left;
1117        text-indent:-.25in;}
1118@list l4:level2
1119        {mso-level-number-format:alpha-lower;
1120        mso-level-tab-stop:1.0in;
1121        mso-level-number-position:left;
1122        text-indent:-.25in;}
1123@list l4:level3
1124        {mso-level-tab-stop:1.5in;
1125        mso-level-number-position:left;
1126        text-indent:-.25in;}
1127@list l4:level4
1128        {mso-level-number-format:alpha-lower;
1129        mso-level-tab-stop:2.0in;
1130        mso-level-number-position:left;
1131        text-indent:-.25in;}
1132@list l4:level5
1133        {mso-level-tab-stop:2.5in;
1134        mso-level-number-position:left;
1135        text-indent:-.25in;}
1136@list l4:level6
1137        {mso-level-tab-stop:3.0in;
1138        mso-level-number-position:left;
1139        text-indent:-.25in;}
1140@list l4:level7
1141        {mso-level-tab-stop:3.5in;
1142        mso-level-number-position:left;
1143        text-indent:-.25in;}
1144@list l4:level8
1145        {mso-level-tab-stop:4.0in;
1146        mso-level-number-position:left;
1147        text-indent:-.25in;}
1148@list l4:level9
1149        {mso-level-tab-stop:4.5in;
1150        mso-level-number-position:left;
1151        text-indent:-.25in;}
1152@list l5
1153        {mso-list-id:617220658;
1154        mso-list-type:hybrid;
1155        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1156@list l5:level1
1157        {mso-level-tab-stop:none;
1158        mso-level-number-position:left;
1159        text-indent:-.25in;}
1160@list l5:level2
1161        {mso-level-tab-stop:1.0in;
1162        mso-level-number-position:left;
1163        text-indent:-.25in;}
1164@list l5:level3
1165        {mso-level-tab-stop:1.5in;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l5:level4
1169        {mso-level-tab-stop:2.0in;
1170        mso-level-number-position:left;
1171        text-indent:-.25in;}
1172@list l5:level5
1173        {mso-level-tab-stop:2.5in;
1174        mso-level-number-position:left;
1175        text-indent:-.25in;}
1176@list l5:level6
1177        {mso-level-tab-stop:3.0in;
1178        mso-level-number-position:left;
1179        text-indent:-.25in;}
1180@list l5:level7
1181        {mso-level-tab-stop:3.5in;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l5:level8
1185        {mso-level-tab-stop:4.0in;
1186        mso-level-number-position:left;
1187        text-indent:-.25in;}
1188@list l5:level9
1189        {mso-level-tab-stop:4.5in;
1190        mso-level-number-position:left;
1191        text-indent:-.25in;}
1192@list l6
1193        {mso-list-id:649361966;
1194        mso-list-template-ids:326264828;}
1195@list l6:level1
1196        {mso-level-tab-stop:none;
1197        mso-level-number-position:left;
1198        text-indent:-.25in;}
1199@list l6:level2
1200        {mso-level-number-format:alpha-lower;
1201        mso-level-tab-stop:1.0in;
1202        mso-level-number-position:left;
1203        text-indent:-.25in;
1204        mso-ansi-font-size:12.0pt;
1205        font-family:"Times New Roman","serif";
1206        mso-ansi-font-weight:normal;
1207        mso-ansi-font-style:normal;}
1208@list l6:level3
1209        {mso-level-tab-stop:1.5in;
1210        mso-level-number-position:left;
1211        text-indent:-.25in;}
1212@list l6:level4
1213        {mso-level-number-format:alpha-lower;
1214        mso-level-tab-stop:2.0in;
1215        mso-level-number-position:left;
1216        text-indent:-.25in;}
1217@list l6:level5
1218        {mso-level-tab-stop:2.5in;
1219        mso-level-number-position:left;
1220        text-indent:-.25in;}
1221@list l6:level6
1222        {mso-level-tab-stop:3.0in;
1223        mso-level-number-position:left;
1224        text-indent:-.25in;}
1225@list l6:level7
1226        {mso-level-tab-stop:3.5in;
1227        mso-level-number-position:left;
1228        text-indent:-.25in;}
1229@list l6:level8
1230        {mso-level-tab-stop:4.0in;
1231        mso-level-number-position:left;
1232        text-indent:-.25in;}
1233@list l6:level9
1234        {mso-level-tab-stop:4.5in;
1235        mso-level-number-position:left;
1236        text-indent:-.25in;}
1237@list l7
1238        {mso-list-id:656106218;
1239        mso-list-type:hybrid;
1240        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1241@list l7:level1
1242        {mso-level-tab-stop:none;
1243        mso-level-number-position:left;
1244        text-indent:-.25in;}
1245@list l7:level2
1246        {mso-level-tab-stop:1.0in;
1247        mso-level-number-position:left;
1248        text-indent:-.25in;}
1249@list l7:level3
1250        {mso-level-tab-stop:1.5in;
1251        mso-level-number-position:left;
1252        text-indent:-.25in;}
1253@list l7:level4
1254        {mso-level-tab-stop:2.0in;
1255        mso-level-number-position:left;
1256        text-indent:-.25in;}
1257@list l7:level5
1258        {mso-level-tab-stop:2.5in;
1259        mso-level-number-position:left;
1260        text-indent:-.25in;}
1261@list l7:level6
1262        {mso-level-tab-stop:3.0in;
1263        mso-level-number-position:left;
1264        text-indent:-.25in;}
1265@list l7:level7
1266        {mso-level-tab-stop:3.5in;
1267        mso-level-number-position:left;
1268        text-indent:-.25in;}
1269@list l7:level8
1270        {mso-level-tab-stop:4.0in;
1271        mso-level-number-position:left;
1272        text-indent:-.25in;}
1273@list l7:level9
1274        {mso-level-tab-stop:4.5in;
1275        mso-level-number-position:left;
1276        text-indent:-.25in;}
1277@list l8
1278        {mso-list-id:734669460;
1279        mso-list-type:hybrid;
1280        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1281@list l8:level1
1282        {mso-level-tab-stop:none;
1283        mso-level-number-position:left;
1284        text-indent:-.25in;}
1285@list l8:level2
1286        {mso-level-tab-stop:1.0in;
1287        mso-level-number-position:left;
1288        text-indent:-.25in;}
1289@list l8:level3
1290        {mso-level-tab-stop:1.5in;
1291        mso-level-number-position:left;
1292        text-indent:-.25in;}
1293@list l8:level4
1294        {mso-level-tab-stop:2.0in;
1295        mso-level-number-position:left;
1296        text-indent:-.25in;}
1297@list l8:level5
1298        {mso-level-tab-stop:2.5in;
1299        mso-level-number-position:left;
1300        text-indent:-.25in;}
1301@list l8:level6
1302        {mso-level-tab-stop:3.0in;
1303        mso-level-number-position:left;
1304        text-indent:-.25in;}
1305@list l8:level7
1306        {mso-level-tab-stop:3.5in;
1307        mso-level-number-position:left;
1308        text-indent:-.25in;}
1309@list l8:level8
1310        {mso-level-tab-stop:4.0in;
1311        mso-level-number-position:left;
1312        text-indent:-.25in;}
1313@list l8:level9
1314        {mso-level-tab-stop:4.5in;
1315        mso-level-number-position:left;
1316        text-indent:-.25in;}
1317@list l9
1318        {mso-list-id:742676264;
1319        mso-list-template-ids:326264828;}
1320@list l9:level1
1321        {mso-level-tab-stop:none;
1322        mso-level-number-position:left;
1323        text-indent:-.25in;}
1324@list l9:level2
1325        {mso-level-number-format:alpha-lower;
1326        mso-level-tab-stop:1.0in;
1327        mso-level-number-position:left;
1328        text-indent:-.25in;
1329        mso-ansi-font-size:12.0pt;
1330        font-family:"Times New Roman","serif";
1331        mso-ansi-font-weight:normal;
1332        mso-ansi-font-style:normal;}
1333@list l9:level3
1334        {mso-level-tab-stop:1.5in;
1335        mso-level-number-position:left;
1336        text-indent:-.25in;}
1337@list l9:level4
1338        {mso-level-number-format:alpha-lower;
1339        mso-level-tab-stop:2.0in;
1340        mso-level-number-position:left;
1341        text-indent:-.25in;}
1342@list l9:level5
1343        {mso-level-tab-stop:2.5in;
1344        mso-level-number-position:left;
1345        text-indent:-.25in;}
1346@list l9:level6
1347        {mso-level-tab-stop:3.0in;
1348        mso-level-number-position:left;
1349        text-indent:-.25in;}
1350@list l9:level7
1351        {mso-level-tab-stop:3.5in;
1352        mso-level-number-position:left;
1353        text-indent:-.25in;}
1354@list l9:level8
1355        {mso-level-tab-stop:4.0in;
1356        mso-level-number-position:left;
1357        text-indent:-.25in;}
1358@list l9:level9
1359        {mso-level-tab-stop:4.5in;
1360        mso-level-number-position:left;
1361        text-indent:-.25in;}
1362@list l10
1363        {mso-list-id:919948450;
1364        mso-list-type:hybrid;
1365        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1366@list l10:level1
1367        {mso-level-tab-stop:none;
1368        mso-level-number-position:left;
1369        text-indent:-.25in;}
1370@list l10:level2
1371        {mso-level-tab-stop:1.0in;
1372        mso-level-number-position:left;
1373        text-indent:-.25in;}
1374@list l10:level3
1375        {mso-level-tab-stop:1.5in;
1376        mso-level-number-position:left;
1377        text-indent:-.25in;}
1378@list l10:level4
1379        {mso-level-tab-stop:2.0in;
1380        mso-level-number-position:left;
1381        text-indent:-.25in;}
1382@list l10:level5
1383        {mso-level-tab-stop:2.5in;
1384        mso-level-number-position:left;
1385        text-indent:-.25in;}
1386@list l10:level6
1387        {mso-level-tab-stop:3.0in;
1388        mso-level-number-position:left;
1389        text-indent:-.25in;}
1390@list l10:level7
1391        {mso-level-tab-stop:3.5in;
1392        mso-level-number-position:left;
1393        text-indent:-.25in;}
1394@list l10:level8
1395        {mso-level-tab-stop:4.0in;
1396        mso-level-number-position:left;
1397        text-indent:-.25in;}
1398@list l10:level9
1399        {mso-level-tab-stop:4.5in;
1400        mso-level-number-position:left;
1401        text-indent:-.25in;}
1402@list l11
1403        {mso-list-id:1035230400;
1404        mso-list-type:hybrid;
1405        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1406@list l11:level1
1407        {mso-level-tab-stop:none;
1408        mso-level-number-position:left;
1409        text-indent:-.25in;}
1410@list l11:level2
1411        {mso-level-number-format:alpha-lower;
1412        mso-level-tab-stop:none;
1413        mso-level-number-position:left;
1414        text-indent:-.25in;}
1415@list l11:level3
1416        {mso-level-tab-stop:1.5in;
1417        mso-level-number-position:left;
1418        text-indent:-.25in;}
1419@list l11:level4
1420        {mso-level-tab-stop:2.0in;
1421        mso-level-number-position:left;
1422        text-indent:-.25in;}
1423@list l11:level5
1424        {mso-level-tab-stop:2.5in;
1425        mso-level-number-position:left;
1426        text-indent:-.25in;}
1427@list l11:level6
1428        {mso-level-tab-stop:3.0in;
1429        mso-level-number-position:left;
1430        text-indent:-.25in;}
1431@list l11:level7
1432        {mso-level-tab-stop:3.5in;
1433        mso-level-number-position:left;
1434        text-indent:-.25in;}
1435@list l11:level8
1436        {mso-level-tab-stop:4.0in;
1437        mso-level-number-position:left;
1438        text-indent:-.25in;}
1439@list l11:level9
1440        {mso-level-tab-stop:4.5in;
1441        mso-level-number-position:left;
1442        text-indent:-.25in;}
1443@list l12
1444        {mso-list-id:1074664733;
1445        mso-list-type:hybrid;
1446        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1447@list l12:level1
1448        {mso-level-number-format:alpha-lower;
1449        mso-level-tab-stop:none;
1450        mso-level-number-position:left;
1451        margin-left:1.0in;
1452        text-indent:-.25in;
1453        mso-ansi-font-weight:normal;}
1454@list l12:level2
1455        {mso-level-number-format:alpha-lower;
1456        mso-level-tab-stop:none;
1457        mso-level-number-position:left;
1458        text-indent:-.25in;}
1459@list l12:level3
1460        {mso-level-tab-stop:1.5in;
1461        mso-level-number-position:left;
1462        text-indent:-.25in;}
1463@list l12:level4
1464        {mso-level-tab-stop:2.0in;
1465        mso-level-number-position:left;
1466        text-indent:-.25in;}
1467@list l12:level5
1468        {mso-level-tab-stop:2.5in;
1469        mso-level-number-position:left;
1470        text-indent:-.25in;}
1471@list l12:level6
1472        {mso-level-tab-stop:3.0in;
1473        mso-level-number-position:left;
1474        text-indent:-.25in;}
1475@list l12:level7
1476        {mso-level-tab-stop:3.5in;
1477        mso-level-number-position:left;
1478        text-indent:-.25in;}
1479@list l12:level8
1480        {mso-level-tab-stop:4.0in;
1481        mso-level-number-position:left;
1482        text-indent:-.25in;}
1483@list l12:level9
1484        {mso-level-tab-stop:4.5in;
1485        mso-level-number-position:left;
1486        text-indent:-.25in;}
1487@list l13
1488        {mso-list-id:1162892763;
1489        mso-list-type:hybrid;
1490        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1491@list l13:level1
1492        {mso-level-number-format:alpha-lower;
1493        mso-level-tab-stop:none;
1494        mso-level-number-position:left;
1495        margin-left:1.0in;
1496        text-indent:-.25in;}
1497@list l13:level2
1498        {mso-level-tab-stop:1.0in;
1499        mso-level-number-position:left;
1500        text-indent:-.25in;}
1501@list l13:level3
1502        {mso-level-tab-stop:1.5in;
1503        mso-level-number-position:left;
1504        text-indent:-.25in;}
1505@list l13:level4
1506        {mso-level-tab-stop:2.0in;
1507        mso-level-number-position:left;
1508        text-indent:-.25in;}
1509@list l13:level5
1510        {mso-level-tab-stop:2.5in;
1511        mso-level-number-position:left;
1512        text-indent:-.25in;}
1513@list l13:level6
1514        {mso-level-tab-stop:3.0in;
1515        mso-level-number-position:left;
1516        text-indent:-.25in;}
1517@list l13:level7
1518        {mso-level-tab-stop:3.5in;
1519        mso-level-number-position:left;
1520        text-indent:-.25in;}
1521@list l13:level8
1522        {mso-level-tab-stop:4.0in;
1523        mso-level-number-position:left;
1524        text-indent:-.25in;}
1525@list l13:level9
1526        {mso-level-tab-stop:4.5in;
1527        mso-level-number-position:left;
1528        text-indent:-.25in;}
1529@list l14
1530        {mso-list-id:1323200535;
1531        mso-list-type:hybrid;
1532        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1533@list l14:level1
1534        {mso-level-number-format:alpha-lower;
1535        mso-level-tab-stop:none;
1536        mso-level-number-position:left;
1537        margin-left:1.0in;
1538        text-indent:-.25in;}
1539@list l14:level2
1540        {mso-level-tab-stop:1.0in;
1541        mso-level-number-position:left;
1542        text-indent:-.25in;}
1543@list l14:level3
1544        {mso-level-tab-stop:1.5in;
1545        mso-level-number-position:left;
1546        text-indent:-.25in;}
1547@list l14:level4
1548        {mso-level-tab-stop:2.0in;
1549        mso-level-number-position:left;
1550        text-indent:-.25in;}
1551@list l14:level5
1552        {mso-level-tab-stop:2.5in;
1553        mso-level-number-position:left;
1554        text-indent:-.25in;}
1555@list l14:level6
1556        {mso-level-tab-stop:3.0in;
1557        mso-level-number-position:left;
1558        text-indent:-.25in;}
1559@list l14:level7
1560        {mso-level-tab-stop:3.5in;
1561        mso-level-number-position:left;
1562        text-indent:-.25in;}
1563@list l14:level8
1564        {mso-level-tab-stop:4.0in;
1565        mso-level-number-position:left;
1566        text-indent:-.25in;}
1567@list l14:level9
1568        {mso-level-tab-stop:4.5in;
1569        mso-level-number-position:left;
1570        text-indent:-.25in;}
1571@list l15
1572        {mso-list-id:1326516832;
1573        mso-list-type:hybrid;
1574        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1575@list l15:level1
1576        {mso-level-tab-stop:none;
1577        mso-level-number-position:left;
1578        text-indent:-.25in;}
1579@list l15:level2
1580        {mso-level-tab-stop:1.0in;
1581        mso-level-number-position:left;
1582        text-indent:-.25in;}
1583@list l15:level3
1584        {mso-level-tab-stop:1.5in;
1585        mso-level-number-position:left;
1586        text-indent:-.25in;}
1587@list l15:level4
1588        {mso-level-tab-stop:2.0in;
1589        mso-level-number-position:left;
1590        text-indent:-.25in;}
1591@list l15:level5
1592        {mso-level-tab-stop:2.5in;
1593        mso-level-number-position:left;
1594        text-indent:-.25in;}
1595@list l15:level6
1596        {mso-level-tab-stop:3.0in;
1597        mso-level-number-position:left;
1598        text-indent:-.25in;}
1599@list l15:level7
1600        {mso-level-tab-stop:3.5in;
1601        mso-level-number-position:left;
1602        text-indent:-.25in;}
1603@list l15:level8
1604        {mso-level-tab-stop:4.0in;
1605        mso-level-number-position:left;
1606        text-indent:-.25in;}
1607@list l15:level9
1608        {mso-level-tab-stop:4.5in;
1609        mso-level-number-position:left;
1610        text-indent:-.25in;}
1611@list l16
1612        {mso-list-id:1394309879;
1613        mso-list-template-ids:326264828;}
1614@list l16:level1
1615        {mso-level-tab-stop:none;
1616        mso-level-number-position:left;
1617        text-indent:-.25in;}
1618@list l16:level2
1619        {mso-level-number-format:alpha-lower;
1620        mso-level-tab-stop:1.0in;
1621        mso-level-number-position:left;
1622        text-indent:-.25in;
1623        mso-ansi-font-size:12.0pt;
1624        font-family:"Times New Roman","serif";
1625        mso-ansi-font-weight:normal;
1626        mso-ansi-font-style:normal;}
1627@list l16:level3
1628        {mso-level-tab-stop:1.5in;
1629        mso-level-number-position:left;
1630        text-indent:-.25in;}
1631@list l16:level4
1632        {mso-level-number-format:alpha-lower;
1633        mso-level-tab-stop:2.0in;
1634        mso-level-number-position:left;
1635        text-indent:-.25in;}
1636@list l16:level5
1637        {mso-level-tab-stop:2.5in;
1638        mso-level-number-position:left;
1639        text-indent:-.25in;}
1640@list l16:level6
1641        {mso-level-tab-stop:3.0in;
1642        mso-level-number-position:left;
1643        text-indent:-.25in;}
1644@list l16:level7
1645        {mso-level-tab-stop:3.5in;
1646        mso-level-number-position:left;
1647        text-indent:-.25in;}
1648@list l16:level8
1649        {mso-level-tab-stop:4.0in;
1650        mso-level-number-position:left;
1651        text-indent:-.25in;}
1652@list l16:level9
1653        {mso-level-tab-stop:4.5in;
1654        mso-level-number-position:left;
1655        text-indent:-.25in;}
1656@list l17
1657        {mso-list-id:1602683002;
1658        mso-list-type:hybrid;
1659        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1660@list l17:level1
1661        {mso-level-tab-stop:none;
1662        mso-level-number-position:left;
1663        text-indent:-.25in;}
1664@list l17:level2
1665        {mso-level-number-format:alpha-lower;
1666        mso-level-tab-stop:none;
1667        mso-level-number-position:left;
1668        text-indent:-.25in;}
1669@list l17:level3
1670        {mso-level-tab-stop:1.5in;
1671        mso-level-number-position:left;
1672        text-indent:-.25in;}
1673@list l17:level4
1674        {mso-level-tab-stop:2.0in;
1675        mso-level-number-position:left;
1676        text-indent:-.25in;}
1677@list l17:level5
1678        {mso-level-tab-stop:2.5in;
1679        mso-level-number-position:left;
1680        text-indent:-.25in;}
1681@list l17:level6
1682        {mso-level-tab-stop:3.0in;
1683        mso-level-number-position:left;
1684        text-indent:-.25in;}
1685@list l17:level7
1686        {mso-level-tab-stop:3.5in;
1687        mso-level-number-position:left;
1688        text-indent:-.25in;}
1689@list l17:level8
1690        {mso-level-tab-stop:4.0in;
1691        mso-level-number-position:left;
1692        text-indent:-.25in;}
1693@list l17:level9
1694        {mso-level-tab-stop:4.5in;
1695        mso-level-number-position:left;
1696        text-indent:-.25in;}
1697@list l18
1698        {mso-list-id:1669404025;
1699        mso-list-type:hybrid;
1700        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1701@list l18:level1
1702        {mso-level-number-format:alpha-lower;
1703        mso-level-tab-stop:none;
1704        mso-level-number-position:left;
1705        margin-left:1.0in;
1706        text-indent:-.25in;
1707        mso-ansi-font-weight:normal;}
1708@list l18:level2
1709        {mso-level-tab-stop:1.0in;
1710        mso-level-number-position:left;
1711        text-indent:-.25in;}
1712@list l18:level3
1713        {mso-level-tab-stop:112.5pt;
1714        mso-level-number-position:left;
1715        margin-left:112.5pt;
1716        text-indent:-.25in;}
1717@list l18:level4
1718        {mso-level-tab-stop:2.0in;
1719        mso-level-number-position:left;
1720        text-indent:-.25in;}
1721@list l18:level5
1722        {mso-level-tab-stop:2.5in;
1723        mso-level-number-position:left;
1724        text-indent:-.25in;}
1725@list l18:level6
1726        {mso-level-tab-stop:3.0in;
1727        mso-level-number-position:left;
1728        text-indent:-.25in;}
1729@list l18:level7
1730        {mso-level-tab-stop:3.5in;
1731        mso-level-number-position:left;
1732        text-indent:-.25in;}
1733@list l18:level8
1734        {mso-level-tab-stop:4.0in;
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1900ol
1901        {margin-bottom:0in;}
1902ul
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1904-->
1905</style>
1906<!--[if gte mso 10]>
1907<style>
1908 /* Style Definitions */
1909 table.MsoNormalTable
1910        {mso-style-name:"Table Normal";
1911        mso-tstyle-rowband-size:0;
1912        mso-tstyle-colband-size:0;
1913        mso-style-noshow:yes;
1914        mso-style-priority:99;
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1921        font-size:10.0pt;
1922        font-family:"Times New Roman","serif";}
1923</style>
1924<![endif]-->
1925<link href=gsasIIfav.png rel="SHORTCUT ICON">
1926<!--[if gte mso 9]><xml>
1927 <o:shapedefaults v:ext="edit" spidmax="3074"/>
1928</xml><![endif]--><!--[if gte mso 9]><xml>
1929 <o:shapelayout v:ext="edit">
1930  <o:idmap v:ext="edit" data="1"/>
1931 </o:shapelayout></xml><![endif]-->
1932</head>
1933
1934<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1935
1936<div class=WordSection1>
1937
1938<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
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1940 stroked="f">
1941 <v:stroke joinstyle="miter"/>
1942 <v:formulas>
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1958</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1028" type="#_x0000_t75"
1959 alt="Description: Description: GSAS-II logo" style='position:absolute;
1960 margin-left:56pt;margin-top:0;width:96pt;height:96pt;z-index:1;visibility:visible;
1961 mso-wrap-style:square;mso-wrap-distance-left:0;mso-wrap-distance-top:0;
1962 mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
1963 mso-position-horizontal:right;mso-position-horizontal-relative:text;
1964 mso-position-vertical:absolute;mso-position-vertical-relative:line'
1965 o:allowoverlap="f">
1966 <v:imagedata src="gsas2logo.png"/>
1967 <w:wrap type="square" anchory="line"/>
1968</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1969align=right alt="Description: Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1970style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1971
1972<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1973is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1974operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1975window, which provides a hierarchical view of the current project; the <a
1976href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1977a particular section of the project, where values can be examined and changed;
1978the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1979representations of the results; and the console which has printout information
1980that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1981
1982<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1983
1984<h2><strong>GSAS-II tutorials:<o:p></o:p></strong></h2>
1985
1986<p class=MsoNormal><strong>Starting GSAS-II<o:p></o:p></strong></p>
1987
1988<p class=MsoNormal><strong><a
1989href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
1990style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
1991
1992<p class=MsoNormal><strong><a
1993href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
1994style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
1995
1996<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
1997normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
1998
1999<p class=MsoNormal><strong>Lab X-ray powder pattern <span class=SpellE>Rietveld</span>
2000refinement (future)<o:p></o:p></strong></p>
2001
2002<p class=MsoNormal><strong>CW Neutron powder pattern <span class=SpellE>Rietveld</span>
2003refinement (future)<o:p></o:p></strong></p>
2004
2005<p class=MsoNormal><strong>Synchrotron X-ray powder pattern <span class=SpellE>Rietveld</span>
2006refinement (future)<o:p></o:p></strong></p>
2007
2008<p class=MsoNormal><strong>Crystal structure drawing (balls &amp; sticks, etc.)
2009(future)<o:p></o:p></strong></p>
2010
2011<p class=MsoNormal><strong>Crystal structure drawing (<span class=SpellE>polyhedra</span>)
2012(future)<o:p></o:p></strong></p>
2013
2014<p class=MsoNormal><strong>Distance/Angle/Torsion calculations(future)<o:p></o:p></strong></p>
2015
2016<p class=MsoNormal><strong>Charge flipping structure solution(future)<o:p></o:p></strong></p>
2017
2018<p class=MsoNormal><strong>etc., etc.<o:p></o:p></strong></p>
2019
2020<div class=MsoNormal align=center style='text-align:center'><span
2021style='mso-fareast-font-family:"Times New Roman"'>
2022
2023<hr size=2 width="100%" align=center>
2024
2025</span></div>
2026
2027<div class=MsoNormal align=center style='text-align:center'><span
2028style='mso-fareast-font-family:"Times New Roman"'>
2029
2030<hr size=2 width="100%" align=center>
2031
2032</span></div>
2033
2034<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2035GSAS-II data tree<o:p></o:p></span></h2>
2036
2037<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2038is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2039Clicking on any item in the tree opens a window where information in that item
2040can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2041Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2042about how data were collected, such as the sample temperature <a
2043href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2044the selection to successive entries in the data tree; both the data window and
2045the associated plot (if any) will change.<o:p></o:p></span></p>
2046
2047<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2048
2049<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2050menus associated with this window provide access to many features of GSAS-II,
2051as outlined below: <o:p></o:p></span></p>
2052
2053<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2054style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2055style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2056&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2057
2058<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2059auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2060style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2061style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2062style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2063saved GSAS-II project file (name.gpx). If you currently have a project file
2064open, you are asked if it is OK to over write it; Cancel will cancel the
2065process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2066class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2067of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2068to e.g. name.gpx to overwrite the current version. Otherwise you may get
2069backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2070
2071<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2072auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2075style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2076project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2077tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2078there. Otherwise, you will be prompted for a new name in a file dialog (you may
2079change directory as well). If the file exists, you will be asked if it OK to
2080overwrite.</span></p>
2081
2082<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2083auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2084style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2085style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2086style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2087As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2088Save the current project to a new file. A file dialog will be shown to enter the
2089name (and change directory if desired). If the file exists, you will be asked
2090if it OK to overwrite.</span></p>
2091
2092<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2093auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2094style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2095style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2096style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2097project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2098&#8211; Close the current project; you will be asked if you want to save it
2099first.</span></p>
2100
2101<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2102auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2103style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2104style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2105style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2106style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2107program; if there is a current project you will be asked if you want to save it
2108first. Pressing the red X in the upper right (Windows) also exits (no save
2109option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2110
2111<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2112style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2113style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2114&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2115
2116<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2117auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2118style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2119style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2120style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in powder
2121diffraction patterns (multiple patterns can be selected). GSAS-II can read most
2122of the old GSAS powder format files with the position in <span class=SpellE>centidegrees</span>
21232-theta. It can also read &#8220;<span class=SpellE>xye</span>&#8221; format
2124files used by <span class=SpellE>topas</span> where the position is in degrees
21252-theta. As each file is read, an old GSAS style &#8220;instrument parameter
2126file&#8221; is searched for; if not found a <span class=SpellE>CuK</span><span
2127style='font-family:Symbol'>a</span> laboratory data set is assumed. </p>
2128
2129<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2130auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2131style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2133style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2134powder diffraction images (multiple patterns can be selected). GSAS-II can read
2135many different image file formats including MAR345 files, Quantum ADSC files,
2136and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2137formats have data fields that should contain relevant information for the
2138exposure (e.g. wavelength), these are rarely filled in correctly by the data
2139acquisition software. Thus, you should have separately noted this information
2140as it will be needed</p>
2141
2142<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2143auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2144style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2145style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2146style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2147in a list of powder pattern peak positions as either a d-spacing table or a set
2148of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2149GSAS-II powder pattern indexing. </p>
2150
2151<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2152auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2153style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2154style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2155style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2156
2157<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2158auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2159style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2160style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2161style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2162
2163<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2164auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2165style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2166style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2167style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2168
2169<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2170auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2171style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2172style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2173style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2174creation of a new phase in the data tree (under Phases). You are first prompted
2175in a dialog box for a name to be assigned to the new phase. Then the <b
2176style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2177opened for this phase; you should first select the phase type, enter the space
2178group symbol and then lattice parameters. Note that nonstandard space group
2179symbols are permitted; there must be spaces between the axial fields (e.g. use
2180&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2181
2182<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2183auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2184style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2185style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2186style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2187phase from the data tree. A dialog box will present the list of phases; pick
2188one (or more) to delete.</p>
2189
2190<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2191auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2192style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2193style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2194</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2195data</b> &#8211; This might be a bad idea!!</p>
2196
2197<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2198auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2199style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2200style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2201</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2202data</b> &#8211; This will remove an item from the data tree. A dialog box with
2203a list of choices is presented.</p>
2204
2205<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2206style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2207style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2208&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2209
2210<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2211auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2212style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2213style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2214style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2215pair distribution function (PDF) controls for each powder pattern selected in
2216the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2217style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2218Controls</a></span></b> for further directions.</p>
2219
2220<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2221auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2222style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2223style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2224style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2225&#8211; This shows a dialog box with all the parameters for your project; those
2226to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2227Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2228The total number of refined parameters is also shown at the top of the list.
2229The value of each parameter is also given. The parameter names are of the form
2230&#8216;p:h:name:id&#8217; where &#8216;p&#8217; is the phase index,
2231&#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the item index
2232(if needed). Indexes all begin with &#8216;0&#8217; (zero). Note that for atom
2233positions the value is not a <span class=SpellE>refinable</span> parameter, but
2234the shift in the value is. Position names are, e.g. &#8216;0::Ax:0&#8217; for
2235the x-position of the <span class=SpellE>zeroth</span> atom in the <span
2236class=SpellE>zeroth</span> phase while shift names have a &#8216;d&#8217; in
2237then, e.g. &#8216;0::dAx:0&#8217;. </p>
2238
2239<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2240auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2241style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2242style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2243style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2244refinement (Pawley/Rietveld or single crystal) according to the controls set in
2245the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2246data tree item.</p>
2247
2248<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2249auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2250style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2251style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2252style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2253sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2254normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2255
2256<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2257style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2258style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2259&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2260
2261<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2262auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2263style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2264style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2265style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2266
2267<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2268auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2269style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2270style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2271style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2272reads one phase from a GSAS experiment file (name.EXP). The file name is found
2273in a directory dialog; you can change directories as needed. Only .EXP (or
2274.exp) file names are shown. If the selected file has more than one phase, a
2275dialog is shown with the choices; only one can be chosen. If you want more than
2276one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2277command. After selecting a phase, a dialog box is shown with the proposed phase
2278name. You can change it if desired.</p>
2279
2280<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2281auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2282style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2283style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2284style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2285the macromolecular phase information from a Protein Data Base file (name.PDB or
2286name.ENT). The file name is found in a directory dialog; you can change
2287directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2288the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2289follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2290dialog box is shown with the proposed phase name. You can change it if desired.</p>
2291
2292<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2293auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2294style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2295style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2296style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2297phase from a Crystallographic Information File (name.CIF). The file name is
2298found in a directory dialog; you can change directories as needed. Only .CIF
2299(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2300has more than one phase, a dialog is shown with the choices; only one can be
2301chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2302normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2303shown with the proposed phase name. You can change it if desired.</p>
2304
2305<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2306auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2307style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2308style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2309style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2310This reads one phase from a GSAS-II project file (name.GPX). The file name is
2311found in a directory dialog; you can change directories as needed. Only .GPX
2312(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2313has more than one phase, a dialog is shown with the choices; only one can be
2314chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2315normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2316selecting a phase, a dialog box is shown with the proposed phase name. You can
2317change it if desired.</p>
2318
2319<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2320auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2321style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2322style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2323style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2324
2325<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2326auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2327style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2328style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2329style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2330
2331<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2332style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2333style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2334&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2335
2336<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2337auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2338style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2339style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2340style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2341
2342<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2343auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2344style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2345style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2346style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2347
2348<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2349auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2350style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2351style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2352style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2353
2354<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2355auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2356style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2357style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2358style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2359
2360<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2361auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2362style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2363style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2364style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2365
2366<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2367text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2368style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2369style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2370style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2371
2372<div class=MsoNormal align=center style='text-align:center'><span
2373style='mso-fareast-font-family:"Times New Roman"'>
2374
2375<hr size=2 width="100%" align=center>
2376
2377</span></div>
2378
2379<div class=MsoNormal align=center style='text-align:center'><span
2380style='mso-fareast-font-family:"Times New Roman"'>
2381
2382<hr size=2 width="100%" align=center>
2383
2384</span></div>
2385
2386<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2387GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2388"Times New Roman"'><o:p></o:p></span></h2>
2389
2390<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2391information is displayed in the Data Editing Window, depending on which section
2392of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2393the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2394window described below. <o:p></o:p></span></p>
2395
2396<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2397style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2398
2399<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2400window provides a place for you to enter whatever text commentary you wish.
2401Each time you enter this window, a date/time entry is provided for you. A
2402possibly useful technique is to select a portion of the console window after a
2403refinement completes (it will contain refinement results with residuals, new
2404values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2405window so it becomes a part of your project file.<o:p></o:p></span></p>
2406
2407<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2408style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2409
2410<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2411window provides the main controls for the major calculations in GSAS-II. At
2412present only Refinement Controls are presented. <o:p></o:p></span></p>
2413
2414<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2415of the main refinement tools are the <span class=SpellE>fortran</span> MINPACK <span
2416class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms
2417wrapped in python as provided in the <span class=SpellE>Scipy</span> package
2418and a third one is a python version utilizing only the <span class=SpellE>numpy</span>
2419package. The purpose is to </span>minimize the sum of the squares of M<span
2420style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
2421variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2422algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2423routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2424Kenneth E. <span class=SpellE>Hillstrom</span>, Jorge J. More (Argonne National
2425Laboratory, 1980). The python/numpy version was developed by us based on the
2426material in Numerical Recipes (Press, Flannery, <span class=SpellE>Teulosky</span>
2427&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2428algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2429
2430<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2431
2432<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2433style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2434style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2435style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2436uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2437Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2438perhaps a bit less accurate, but may be needed if the analytic functions are
2439not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2440x M (parameters x observations) and is much larger than the Hessian matrix
2441which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2442Hessian&#8217; for routine work.<o:p></o:p></span></p>
2443
2444<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2445style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2446style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2447style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2448delta-M/M&#8217; for convergence; the refinement will stop when the change in
2449the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2450force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2451(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2452to 1.0.<o:p></o:p></span></p>
2453
2454<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2455style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2456style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2457style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2458Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2459the first cycle of refinement. This value is modified by the least squares
2460routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2461needed if your initial refinement trials immediately diverge, however make sure
2462your starting parameter values are &#8216;reasonable&#8217;. The selected
2463default (=1.0) normally gives good performance.<o:p></o:p></span></p>
2464
2465<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2466style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2467style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2468style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2469Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2470number of least squares cycles to be performed. Least squares cycles are
2471determined by the number of times a new Hessian matrix is computes; the <span
2472class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2473several times between cycles as it finds the optimal value of the Marquardt
2474coefficient. Choices are given in the pull down selection; the default is 3
2475cycles.<o:p></o:p></span></p>
2476
2477<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2478style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2479style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2480style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2481refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2482
2483<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2484
2485<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2486window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2487shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2488
2489<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2490
2491<span style='mso-bookmark:Constraints'></span>
2492
2493<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2494window shows the constraints to be used in a refinement. It is organized into
2495three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2496parameters that describe aspects of the crystalline phases to be used in the
2497refinement (e.g. atom coordinates, thermal motion and site fraction
2498parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2499aspects of the pattern that depend on both the phase and the data set used in
2500the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2501"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2502and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2503that depend only on the data set (e.g. profile coefficients U,V,W,X and Y).<o:p></o:p></span></p>
2504
2505<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2506
2507<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2508style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2509style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2510style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2511parameter types you wish to constrain. Each will have the same possibilities in
2512the &#8216;Edit menu.<o:p></o:p></span></p>
2513
2514<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2515style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2516style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2517style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2518style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2519
2520<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2521auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2522style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2523style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2524style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2525Hold</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
2526select a parameter that you wish to remain fixed although other parameters of
2527the same type may be selected as a group for refinement. For example, if the
2528space group for a phase has a polar axis (e.g. the b-axis in P2<sub>1</sub>),
2529then one atom y-parameter is arbitrary and should be selected for a Hold to
2530keep the structure from drifting up or down the y-axis during refinement. If
2531selected, a dialog box will appear showing the list of available parameters;
2532select one and then OK to implement it, Cancel will cancel the operation. The
2533held parameter will be shown in the constraint window with the keyword
2534&#8216;FIXED&#8217;. A Delete button can be used to remove it.<o:p></o:p></span></p>
2535
2536<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2537auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2538style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2539style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2540style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2541equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2542&#8211; select a list of parameters that should have the same value (possibly
2543with a non-unitary multiplier for some). Examples are a list of atoms with the
2544same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2545coefficients U,V,W across multiple data sets. If selected, a dialog box will
2546appear with a list of the available parameters. Select one and press OK; a
2547second dialog box will appear with only those parameters that can be made
2548equivalent to the first one. Choose those and press OK. Cancel in either dialog
2549will cancel the operation. The equivalenced parameters will show as an equation
2550of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0; usually
2551M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217; button. The
2552keyword &#8216;EQUIV&#8217; marks it as an equivalence. A Delete button can be
2553used to remove it.<o:p></o:p></span></p>
2554
2555<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2556auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2557style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2558style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2559style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2560constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2561&#8211; select a list of parameters whose sum (with possible non-unitary
2562multipliers) is fixed. For example, the sum of site fractions for atoms on the
2563same site could be fixed to unity. If selected, a dialog box will appear with a
2564list of the available parameters. Select one and press OK; a second dialog box
2565will appear with only those parameters that can be used in a constraint with
2566the first one. Choose those and press OK. Cancel in either dialog will cancel
2567the operation. The equivalenced parameters will show as an equation of the form
2568M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2569multipliers M1, M2, &#8230; and C can be changed via the &#8216;Edit&#8217;
2570button. The keyword &#8216;CONSTR&#8217; marks it as a constraint. A Delete
2571button can be used to remove it.<o:p></o:p></span></p>
2572
2573<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2574text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2575style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2576style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2577style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2578function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2579&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2580the result of the sum can be varied in the refinement. The keyword
2581&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2582indicates your choice to refine the result of the sum. A Delete button can be
2583used to remove it.<o:p></o:p></span></p>
2584
2585<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2586style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2587
2588<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2589window is empty<o:p></o:p></span></p>
2590
2591<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2592
2593<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2594just yet<o:p></o:p></span></p>
2595
2596<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2597style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2598
2599<p class=MsoNormal>In this window is tabulated the results of your sequential
2600refinement. The columns are the parameter names; the naming convention is
2601&#8216;p:h:name:n&#8217; where p is the phase number, h is the histogram
2602number, name is the parameter name, and num (if needed) is the item number
2603(e.g. atom number). The rows are the data sets used in the sequential
2604refinement.</p>
2605
2606<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2607
2608<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2609
2610<h3>Histograms</h3>
2611
2612<p class=MsoNormal>These are shown in the data tree with a prefix of
2613&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2614&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2615constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2616analysis. Selection of these items does not produce any information in the data
2617window but does display the data in the Plots Window. They are described below.</p>
2618
2619<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2620
2621<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2622a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2623href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2624tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2625variety of subcategories in the tree are shown. The items that are shown depend
2626on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2627
2628<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2629style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2630
2631<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2632style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2633"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2634</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2635&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2636
2637<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2638text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2639style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2640style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2641style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2642style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2643&#8211; this produces a &#8216;normal probability&#8217; plot for the
2644refinement result as bounded by the limits. The slope and intercept of the
2645curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2646Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2647style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2648style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2649"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2650style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2651plot status line. The slope is the square root of GOF for the best fit set of
2652data points (~68% of the data).<o:p></o:p></span></span></p>
2653
2654<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2655
2656<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2657whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2658file was read by GSAS-II. If you are lucky, there will be useful information
2659here (e.g. sample name, date collected, wavelength used, etc.). If not, this
2660window will be blank. The text is read-only in that anything you try to enter
2661here is not saved.</span></p>
2662
2663<span style='mso-bookmark:Comments'></span>
2664
2665<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2666style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2667
2668<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2669window shows the limits in position to be used in any fitting for this powder
2670pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2671maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2672needed.<o:p></o:p></span></p>
2673
2674<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2675
2676<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2677style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2678style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2679style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2680class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2681&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2682changed (the background on the box will be blue or have a black border or a
2683vertical bar will appear in the value), then enter the new value and press
2684Enter or click the mouse elsewhere in the Background window. This will set the
2685new value.<o:p></o:p></span></p>
2686
2687<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2688style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2689style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2690style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2691&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2692(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2693line) into position. A left or right mouse click on a data point on the plot
2694will set the associated limit. In either case the appropriate value on the
2695&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2696
2697<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2698style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2699style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2700style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2701style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2702
2703<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2704text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2705style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2706style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2707style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2708style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the limits
2709shown to other selected powder patterns. If used, a dialog box (Copy
2710Parameters) will appear showing the list of available powder patterns, you can
2711copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2712copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2713&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2714
2715<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2716
2717<span style='mso-bookmark:Background'></span>
2718
2719<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2720window shows the choice of background functions and coefficients to be used in
2721fitting this powder pattern. There are three types of contributions available
2722for the background:<o:p></o:p></span></p>
2723
2724<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). A
2725continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2726&#8216;cosine&#8217;, &#8216;<span class=SpellE>lin</span> interpolate&#8217;,
2727&#8216;inv interpolate&#8217; &amp; &#8216;log interpolate&#8217;). The latter
2728three select fixed points with spacing that is either equal, inversely equal or
2729equal on a log scale of the x-coordinate. The set of magnitudes at each point
2730then comprise the background variables. All are refined when refine is
2731selected.<o:p></o:p></span></p>
2732
2733<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2734"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2735form:<o:p></o:p></span></p>
2736
2737<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2738"Times New Roman"'><span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span><!--[if gte msEquation 12]><m:oMath><i
2739 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2740 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
2741   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2742   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2743   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2744     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2745     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2746     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2747     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2748     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2749     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2750     mso-fareast-font-family:"Times New Roman"'><m:r>QR</m:r></span></i></m:den></m:f></m:e></m:d><m:sSup><m:sSupPr><span
2751   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2752   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2753   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2754   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2755   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2756   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2757   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2758     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2759     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2760     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2761     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2762     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2763     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2764     mso-fareast-font-family:"Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span
2765style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2766"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2767top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2768EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2769 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2770 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2771</v:shape><![endif]--><![if !vml]><img width=178 height=51
2772src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2773style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27741'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2775
2776<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>where
2777A,R &amp; U are the possible variables and can be individually selected as
2778desired; Q = 2</span><span style='font-family:Symbol;mso-fareast-font-family:
2779"Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2780
2781<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2782A set of individual Bragg peaks using the pseudo-Voigt profile function as
2783their shapes. Their parameters are &#8216;pos&#8217;, &#8217;<span
2784class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp; &#8216;<span
2785class=SpellE>gam</span>&#8217;; each can be selected for refinement. The
2786default values for sig &amp; gam (=0.10) are for very sharp peaks, you may
2787adjust them accordingly to the kind of peak you are trying to fit before trying
2788to refine them.<o:p></o:p></span></p>
2789
2790<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2791
2792<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2795style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2796style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2797
2798<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2799auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2800style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2801style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2802style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2803style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2804background parameters shown to other selected powder patterns. If used, a
2805dialog box (Copy Parameters) will appear showing the list of available powder
2806patterns, you can copy the background parameters to any or all of them; select
2807&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2808do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2809
2810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2811auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2814style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2815flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2816this copies only the refinement flags shown to other selected powder patterns.
2817If used, a dialog box (Copy Refinement Flags) will appear showing the list of
2818available powder patterns, you can copy the refinement flags to any or all of
2819them; select &#8216;All&#8217; to copy them to all patterns. Then select
2820&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2821
2822<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2823style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2824style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2825style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2826Background function from the pull down tab.<o:p></o:p></span></p>
2827
2828<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2829style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2830style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2831style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2832refine the background coefficients.<o:p></o:p></span></p>
2833
2834<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2835style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2836style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2837style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2838background coefficients to be used (1-36).<o:p></o:p></span></p>
2839
2840<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2841style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2842style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2843style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2844background coefficient values. Enter the value then press Enter or click the
2845mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2846
2847<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2848style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2849style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2850style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2851Debye scattering terms into the background. For each one you should enter a
2852sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2853an amorphous phase is appropriate. Select parameters to refine; usually start
2854with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2855
2856<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2857style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2858style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2859style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2860Bragg peaks into the background. For each you should specify at least the
2861position. Select parameters to refine; usually start with the &#8216;<span
2862class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2863
2864<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2865"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2866style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2867
2868<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2869window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2870
2871<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2872
2873<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2876style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2877style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2878
2879<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2880auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2881style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2882style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2883style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2884profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2885loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2886replacing the existing instrument parameter values. All refinement flags are
2887unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2888
2889<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2890auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2891style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2892style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2893style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2894profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2895the current instrument parameter values in a simple text file (<span
2896class=SpellE>name.instprm</span>); you will be prompted for the file name
2897&#8211; do not change the extension. This file may be edited but heed the
2898warning to not change the parameter names, the order of the parameter records
2899or add new parameter records as this will invalidate the file. You may only
2900change the numeric values if necessary. You can change or add comment records
2901(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2902
2903<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2904auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2905style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2906style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2907style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2908profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2909resets the values for the instrument parameters to the default values shown in
2910parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2911
2912<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2913auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2914style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2915style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2916style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2917style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2918instrument parameters shown to other selected powder patterns. If used, a
2919dialog box (Copy parameters) will appear showing the list of available powder
2920patterns, you can copy the instrument parameters to any or all of them; select
2921&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2922do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2923work for instrument parameters that are commensurate with the one that is
2924shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2925style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2926style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2927style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2928style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2929style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2930style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2931
2932<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2933auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2934style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2935style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2936style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2937flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2938&#8211; this copies the instrument parameter refinement flags shown to other
2939selected powder patterns. If used, a dialog box (Copy refinement flags) will
2940appear showing the list of available powder patterns, you can copy the
2941instrument parameter refinement flags to any or all of them; select
2942&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2943do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2944work for instrument parameters that are commensurate with the one that is
2945shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2946style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2947style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2948style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2949style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2950style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2951style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2952
2953<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2954auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2955style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2956style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2957style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2958radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2959&#8211; this changes the radiation between single wavelength (e.g. for
2960synchrotron source) and K</span><sub><span style='font-family:Symbol;
2961mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2962style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2963style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2964style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2965style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2966style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2967laboratory tube source).<o:p></o:p></span></p>
2968
2969<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2970style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2971style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2972style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2973profile coefficients<o:p></o:p></span></p>
2974
2975<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2976style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2977style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2978style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2979profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2980circumstances some choices are ignored e.g. Zero is not refined during peak
2981fitting. Also some choices may lead to unstable refinement, e.g. Lam refinement
2982and lattice parameter refinement. Examine the &#8216;</span><a
2983href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2984style='mso-fareast-font-family:"Times New Roman"'> display for highly
2985correlated parameters.<o:p></o:p></span></p>
2986
2987<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2988"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2989
2990<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2991window show the various sample dependent parameters for this powder pattern.
2992The presence of a refine button indicates which can be refined while others are
2993fixed. All values can be changed in this window.<o:p></o:p></span></p>
2994
2995<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
2996Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
2997I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
2998style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2999color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3000
3001<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3002style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3003style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3004normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3005style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3006style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3007normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3008style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3009style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3010style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3011style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3012normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3013
3014<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3015text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3016style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3017style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3018style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3019style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3020style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3021style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3022sample parameters shown to other selected powder patterns. If used, a dialog
3023box (Copy parameters) will appear showing the list of available powder
3024patterns, you can copy the sample parameters to any or all of them; select
3025&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3026do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3027
3028<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3029text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3030style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3031style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3032style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3033style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3034flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
3035style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
3036- &#8211; this copies the sample parameter refinement flags shown to other
3037selected powder patterns. If used, a dialog box (Copy refinement flags) will
3038appear showing the list of available powder patterns, you can copy the sample
3039parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3040copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3041&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3042
3043<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3044style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3045style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3046
3047<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3048window shows the list of peaks that will be used by the peak fitting
3049refinement. It is filled by picking peaks in the powder pattern displayed in
3050the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3051
3052<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3053style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3054can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3055style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3056normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3057
3058<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3059style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3060"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3061bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3062</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3063color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3064style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3065color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3066style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3067normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3068
3069<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3070tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3071style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3072normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3073style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3074class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3075style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3076color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3077peak parameters, background and instrument parameter values varied in the last
3078peak fitting refinement back to their original values. Use this to recover from
3079a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3080only a single level of recovery available.<o:p></o:p></span></span></h5>
3081
3082<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3083tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3084style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3085normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3087style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3088class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3089style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3090normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3091peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3092background parameters and instrument parameters with refine checked will be
3093varied in this refinement. The refinement will proceed until convergence. We
3094suggest you vary the intensity along with the background first (the default),
3095then vary the position and instrument parameters after. The order will depend
3096on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3097&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3098difference curve displayed in the GSASII Plots window. If individual peaks show
3099peak widths that are widely different, their individual sigma and gamma
3100parameters may be refined. If the refinement results in negative peak
3101coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3102style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3103"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3104style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3105color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3106and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3107
3108<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3109tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3110style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3111normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3113style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3114cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3115style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3116normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3117squares refinement. This can be used in difficult cases to get a refinement
3118started toward convergence.<o:p></o:p></span></span></h5>
3119
3120<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3121tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3122style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3123normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3124style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3125style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3126and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3127style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3128normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3129gamma to those computed from the instrument parameters U, V, W, X &amp; Y.<o:p></o:p></span></span></h5>
3130
3131<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3132tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3133style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3134normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3135style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3136style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3137style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3138color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3139removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3140
3141<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3142style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3143"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3144bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3145</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3146color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3147peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3148near to the top point on a peak, 2) press the left mouse button. The selected
3149peak will be added to the Peak List in its correct sorted order and a blue
3150vertical line will be plotted on that position. Be sure that the Zoom/Pan
3151buttons are not selected on the Plot window. We recommend that you begin
3152picking peaks from the right side of the pattern; that way the tool tip
3153won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3154
3155<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3156style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3157"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3158bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3159</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3160color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3161Peak List item using the mouse on the plot by: 1) position the pointer on the
3162blue line for the peak you wish to move, 2) holding the left mouse button down,
3163drag to the desired position &amp; then release the button. The peak line will
3164be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3165selected on the Plot window.<o:p></o:p></span></span></h5>
3166
3167<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3168style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3169"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3170</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3171can change individual peak coefficient values. Enter the value then press Enter
3172or Tab or click the mouse elsewhere in the Peak List window. This will set the
3173new value.<o:p></o:p></span></span></p>
3174
3175<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3176style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3177"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3178</span></span></span><![endif]>You can change the refine flags either by
3179clicking on the box or by selecting one and then selecting the column (a single
3180click on the column heading; column should show in blue). Then type
3181&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3182style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3183
3184<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3185style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3186"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3187bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3188</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3189color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3190peaks in the Peak List by selecting rows (should appear in blue) and then
3191pressing the Delete key. You can also delete peaks using the mouse on the plot
3192by positioning the pointer on the blue line for the peak to be deleted and then
3193pressing the right mouse button. The blue line should vanish and the
3194corresponding peak will be removed from the Peak List. Be sure that the
3195Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3196
3197<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3198"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3199"Times New Roman"'><o:p></o:p></span></h4>
3200
3201<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3202window shows the list of peaks that will be used for indexing (see </span><a
3203href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3204Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3205It must be filled before indexing can proceed. When indexing is completed, this
3206display will show the resulting <span class=SpellE>hkl</span> values for every
3207indexed reflection along with the calculated d-spacing (&#8216;d-<span
3208class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3209href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3210Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3211
3212<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3213
3214<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3215style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3216style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3217style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3218style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3219style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3220positions &amp; intensities from the </span><a href="#Peak_List"><span
3221style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3222style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3223the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3224Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3225href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3226Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3227table to the position shown here.<o:p></o:p></span></p>
3228
3229<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3230style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3231style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3232style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3233peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3234
3235<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3236style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3237"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3238"Times New Roman"'><o:p></o:p></span></h4>
3239
3240<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3241window... <o:p></o:p></span></p>
3242
3243<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3244List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3245
3246<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3247window... <o:p></o:p></span></p>
3248
3249<h3>Single Crystal Histograms - HKLF</h3>
3250
3251<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3252Functions - PDF<o:p></o:p></span></h3>
3253
3254<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3255Controls<o:p></o:p></span></h4>
3256
3257<p class=MsoNormal>This window </p>
3258
3259<h4><a name="I_Q"></a><span style='mso-fareast-font-family:"Times New Roman"'>I(Q),
3260<a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) &amp; <a name="G_R"></a>G(R)<o:p></o:p></span></h4>
3261
3262<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3263window... <o:p></o:p></span></p>
3264
3265<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3266IMG<o:p></o:p></span></h3>
3267
3268<h4><a name=Images>Image Controls</a></h4>
3269
3270<span style='mso-bookmark:Images'></span>
3271
3272<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3273window... <o:p></o:p></span></p>
3274
3275<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3276mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3277style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3278name="Image_Masks"></a><![endif]></h4>
3279
3280<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3281window... <o:p></o:p></span></p>
3282
3283<h3>Phase Windows</h3>
3284
3285<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3286a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3287shown for that selected phase in a tabbed window. Clicking on each tab raises
3288the windows listed below. Each tab is identified by the underlined phrase in
3289the following:<o:p></o:p></span></p>
3290
3291<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3292Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3293
3294<span style='mso-bookmark:General'></span>
3295
3296<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3297gives overall parameters describing the phase such as the name, space group,
3298the unit cell parameters and overall parameters for the atom present in the
3299phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3300
3301<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3302
3303<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3304style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3305style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3306style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3307style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3308shows computations that are possible for this phase.<o:p></o:p></span></p>
3309
3310<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3311auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3312style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3313style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3314style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3315maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3316compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3317
3318<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3319auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3320style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3321style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3322style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3323maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3324search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3325% of the maximum will be found in this procedure; they will be printed on the
3326console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3327page. This page will immediately be shown and the peaks will be shown on the
3328structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3329
3330<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3331style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3332style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3333style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3334of the General page that can be changed are Phase name, Phase type, Space
3335group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3336
3337<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3338auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3339style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3340style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3341style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3342name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3343this is the name assigned to this phase. It should only be changed when the
3344phase is initialized or imported.<u><o:p></o:p></u></span></p>
3345
3346<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3347auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3348style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3349style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3350style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3351type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3352can only be set when there are no atoms in the Atoms page for this phase.
3353Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3354
3355<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3356auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3357style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3358style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3359style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3360group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3361&#8211; this should be set when the phase is initialized; it can be changed later.
3362Be careful about the impact on Atom site symmetry and multiplicity if you do.
3363GSAS-II will recognize any legal space group symbol using the short Hermann-<span
3364class=SpellE>Mauguin</span> forms; put a space between the axial fields (e.g.
3365&#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups with a choice
3366of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where
3367the center of inversion is located at the origin. The choice of space group
3368will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3369
3370<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3371auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3372style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3373style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3374style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3375unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3376&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3377Pawley refinement. The actual parameters refined are the symmetry allowed terms
3378(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3379normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3380"Times New Roman"'><br>
3381</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3382    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3383    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3384    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3385    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3386    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3387    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3388    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3389  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3390  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3391    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3392    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3393    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3394    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3395    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3396    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3397    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3398    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3399    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3400    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3401    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3402    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3403    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3404    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3405  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3406  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3407    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3408    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3409    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3410    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3411    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3412    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3413    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3414    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3415    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3416    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3417    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3418    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3419    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3420    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3421  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3422  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3423    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3424    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3425    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3426    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3427    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3428    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3429    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3430    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3431    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3432    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3433    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3434    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3435    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3436    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3437  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3438  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3439    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3440    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3441    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3442    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3443    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3444    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3445    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3446  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3447  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3448    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3449    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3450    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3451    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3452    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3453    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3454    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3455  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3456  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3457    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3458    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3459    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3460    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3461    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3462    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3463    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3464  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3465  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3466style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3467"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3468mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3469 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3470 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3471</v:shape><![endif]--><![if !vml]><img width=335 height=19
3472src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3473style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3474
3475<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3476auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3477style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3478style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3479style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>a,
3480b, c, alpha, beta, gamma</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3481&#8211; lattice parameters; only those permitted by the space group are shown.
3482The volume is computed from the values entered.<u><o:p></o:p></u></span></p>
3483
3484<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3487style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3488Atoms page then the Elements table is shown next on the General page; you may
3489select the isotope (only relevant for neutron diffraction experiments). The
3490density is computed depending on this choice, the unit cell volume and the atom
3491fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3492
3493<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3494style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3495style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3496style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3497shown at the bottom of the General page. A completed Rietveld or Pawley
3498refinement is required before a Fourier map can be computed. Select the desired
3499type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3500
3501<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3502</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3503
3504<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3505
3506<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3507style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3508mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3509line-break'>
3510<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3511<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3512
3513<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3514
3515<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3516
3517<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3518
3519<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3520
3521<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3522
3523<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3524
3525<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3526
3527<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3528
3529<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3530rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3531ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3532menus for this tab; Edit allows modification of the list of atoms to be
3533rendered and Compute gives some options for geometric characterization of
3534selected atoms.</p>
3535
3536<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3537
3538<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3539style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3540style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3541Selection from table: select individual atoms by a left click of the mouse when
3542pointed at the left most column (atom numbers) of the atom display; hold down
3543the Ctrl key to add to your selection; a previously selected atom will be
3544deselected. A selected atom will be highlighted (in grey) and the atom will be
3545shown in green on the plot. Selection without the Ctrl key will clear previous
3546selections. A double left click in the (empty) upper left box will select or
3547deselect all atoms.</p>
3548
3549<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3550style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3551style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3552Selection from plot: select an atom by a left click of the mouse while holding
3553down the Shift key and pointed at the center of the displayed atom, it will
3554turn green if successful and the corresponding entry in the table will be
3555highlighted (in grey); any previous selections will be cleared. To add to .your
3556selection use the right mouse button (Shift down); if a previously selection is
3557reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3558normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3559to select, they may be selected inadvertently. You can rotate the structure
3560anytime during the selection process.</p>
3561
3562<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3563style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3564style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3565left click a Name, Type and Sym Op column heading: a dialog box is shown that
3566allows you to select all atoms with that characteristic. For example, selecting
3567the Type column will show all the atom types; your choice will then cause all
3568those atoms to be selected.</p>
3569
3570<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3571style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3572style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3573left click a Style, Label or Color column: a dialog box is shown that allows
3574you to select a rendering option for all the atoms. For Color a color choice dialog
3575is displayed that covers the entire color spectrum. Choose a color by any of
3576the means available, press the &#8220;Add to Custom Colors&#8221;, select that
3577color in the Custom colors display and then press OK. <b style='mso-bidi-font-weight:
3578normal'>NB</b>: selecting Color will make all atoms have the same color and for
3579Style &#8220;blank&#8221; means the atoms aren&#8217;t rendered and thus the
3580plot will not show any atoms or bonds!</p>
3581
3582<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3583style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3584style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3585&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3586shows operations that can be performed on your selected atoms. You must select
3587one or more atoms before using any of the menu items.</p>
3588
3589<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3590auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3591style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3592style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3593style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3594style for the selected atoms</p>
3595
3596<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3597auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3598style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3599style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3600style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3601be shown as a label for each atom in selection. The choices are: none, type,
3602name or number.</p>
3603
3604<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3605auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3606style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3607style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3608style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3609the atom; a color choice dialog is displayed that covers the entire color
3610spectrum. Choose a color by any of the means available, press the &#8220;Add to
3611Custom Colors&#8221;, select that color in the Custom colors display and then
3612press OK.</p>
3613
3614<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3615auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3616style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3617style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3618style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3619atom color back to their defaults for the selected atoms.</p>
3620
3621<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3622auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3623style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3624style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3625style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3626view point to the first atom in the selection.</p>
3627
3628<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3629auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3630style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3631style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3632style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3633atoms, new ones are added to the bottom of the list after applying your choice
3634of symmetry operator and unit cell translation selected via a dialog display.
3635Duplicate atom positions are not retained. Any anisotropic thermal displacement
3636parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3637
3638<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3639auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3640style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3641style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3642style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3643symmetry operator and unit cell translation to the set of selected atoms; they
3644will be changed in place. Any anisotropic thermal displacement parameters (<span
3645class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3646
3647<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3648auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3649style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3650style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3651style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3652currently in the draw atom table, find all atoms that belong in the
3653coordination sphere around the selected atoms via unit cell translations. NB:
3654symmetry operations are not used in this search.</p>
3655
3656<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3657auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3658style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3659style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3660</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3661cell</b> - using the atoms currently selected from the draw atom table, find
3662all atoms that fall inside or on the edge/surface/corners of the unit cell.
3663This operation is frequently performed before Fill CN-sphere.</p>
3664
3665<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3666auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3667style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3668style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3669</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3670atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3671the Atoms table. You should do this operation after any changes in the Atoms
3672table, e.g. by a structure refinement.</p>
3673
3674<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3675style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3676style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3677&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3678menu gives a choice of geometric calculations to be performed with the selected
3679atoms. You must select the appropriate number of atoms for these to work and
3680the computation is done for the atoms in selection order.</p>
3681
3682<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3683auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3684style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3685style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3686style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3687normal'>Tors. </b>&#8211; when 2-4 atoms are selected, a distance, angle or
3688torsion angle will be found for them. The angles are computed for the atoms in
3689their selection order. The torsion angle is a right hand angle about the A2-A3
3690vector for the sequence of atoms A1-A2-A3-A4. An estimated standard deviation
3691is given for the calculated value if a current variance-covariance matrix is
3692available. The result is shown on the console window; it may be cut &amp;
3693pasted to another application (e.g. Microsoft Word).</p>
3694
3695<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3696text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3697style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3698style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3699style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3700are selected, a best plane is determined for them. The result is shown on the
3701console window; it may be cut &amp; pasted to another application (e.g.
3702Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3703plane coordinates where the largest range is over the X-axis and the smallest
3704is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3705center of the selection. Root mean square displacements along each axis for the
3706best plane are also listed. The Z-axis RMS value indicates the flatness of the
3707proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3708(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3709atoms with respect to a coordinate system where the X-axis is along the longest
3710axis of the atom grouping and the Z-axis is along the shortest distance. The
3711origin is at the <span class=SpellE>unweighted</span> center of the selected
3712atoms.</p>
3713
3714<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3715
3716<p class=MsoNormal>This gives the list of reflections used in a Pawley
3717refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3718style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3719style='color:#00B0F0'>.</span></p>
3720
3721<h5>What can I do here?</h5>
3722
3723<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3724style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3725style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3726<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3727
3728<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3729auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3730style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3731style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3732style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3733new set of Pawley reflections, over writing any preexisting Pawley set. They
3734are generated with d-<span class=SpellE>spacings</span> larger than the limit
3735set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3736for this phase. By default the refine flags are not set and the <span
3737class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>) = 100.0.</p>
3738
3739<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3740auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3741style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3742style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3743style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3744an estimate of <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>)
3745from the peak heights of the reflection as seen in the 1<sup>st</sup> powder
3746pattern of those selected in the <a href="#Data">Data</a> tab.</p>
3747
3748<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3749auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3750style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3751style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3752style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3753set of Pawley reflections.</p>
3754
3755<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3756style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3757style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3758can change the refine flags either by clicking on the box or by selecting one
3759and then selecting the column (a single click on the column heading). Then type
3760&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3761You should deselect those reflections that fall below the lower limit or above
3762the upper limit of the powder pattern otherwise you may have a singular matrix
3763error in your Pawley refinement.</p>
3764
3765<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3766style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3767style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3768can change the individual <span class=SpellE>Fsq</span>(<span class=SpellE>hkl</span>)
3769values by selecting it, typing in the new value and then pressing enter or
3770selecting somewhere else in the table.</p>
3771
3772<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3773
3774<h4><a name="Map_peaks">Map peaks</a></h4>
3775
3776<span style='mso-bookmark:Map_peaks'></span>
3777
3778<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks found
3779within the unit cell from the last Fourier map search sorted in order of
3780decreasing peak magnitude. The crystal structure plot shows each peak position
3781as a white 3-D cross.</p>
3782
3783<h5>What can I do here?</h5>
3784
3785<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3786style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3787style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3788a peak with a left click on the left hand row number, hold Ctrl key down to add
3789more peaks to your selection. Each peak selected will show as a green 3-D cross
3790on the crystal structure plot.</p>
3791
3792<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3795<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3796style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3797
3798<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3799auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3800style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3801style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3802style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3803peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3804Atoms</a> list. They will be appended to the end of each list each with the
3805name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3806drawn as small white spheres at their respective positions in the structure
3807drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3808change the atom type to whatever element you desire; it will be renamed
3809automatically.</p>
3810
3811<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3812text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3813style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3814style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3815style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3816the peaks in the map peak list; they are also removed from the crystal
3817structure drawing plot.</p>
3818
3819<div class=MsoNormal align=center style='text-align:center'><span
3820style='mso-fareast-font-family:"Times New Roman"'>
3821
3822<hr size=2 width="100%" align=center>
3823
3824</span></div>
3825
3826<div class=MsoNormal align=center style='text-align:center'><span
3827style='mso-fareast-font-family:"Times New Roman"'>
3828
3829<hr size=2 width="100%" align=center>
3830
3831</span></div>
3832
3833<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3834GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3835style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3836style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3837
3838<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3839window presents all the graphical material as a multipage tabbed set of plots
3840utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3841has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3842
3843<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3844mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3845src=graphbar.jpg alt="Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3846style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3847
3848<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3849are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3850
3851<ul type=disc>
3852 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3853     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3854     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3855 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3856     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3857     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3858 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3859     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3860     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3861     of the Back button <o:p></o:p></span></li>
3862 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3863     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3864     "Times New Roman"'>Pan: allows you to control panning across the plot
3865     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3866 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3867     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3868     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3869     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3870 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3871     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3872     "Times New Roman"'>Save: allows you to save the currently displayed plot
3873     in one of several graphical formats suitable for printing or insertion in
3874     a document.<o:p></o:p></span></li>
3875 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3876     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3877     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3878</ul>
3879
3880<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3881
3882<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3883the toolbar may be a status bar that on the left may show either an instruction
3884for a keyed input or a pull down selection of keyed input; on the right may be
3885displayed position dependent information that is updated as the mouse is moved
3886over the plot region.<o:p></o:p></span></p>
3887
3888<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3889
3890<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3891specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3892
3893<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3894
3895<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3896powder patterns that are part of your project are shown on this page. They can be
3897displayed as a stack of powder patterns, just a single pattern or as a contour
3898image of the peak intensities. What can be done here will depend on which is
3899displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
3900
3901<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3902
3903<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3906style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3907the plot, the plot status line will show the cursor position in 2</span><span
3908style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3909style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3910intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3911Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3912style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3913
3914<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3915style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3916style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3917the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3918press&#8217; </b>&#8211; you can either press the key on the key board or
3919select from the pull down menu. For line plots:</p>
3920
3921<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3922auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3923style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3924style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3925style='mso-bidi-font-weight:normal'>l: offset left</b> &#8211; for a waterfall
3926plot of multiple powder profiles, increase the offset to the left. Does not
3927apply if only one pattern.</p>
3928
3929<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3930auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3931style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3932style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3933style='mso-bidi-font-weight:normal'>r: offset right</b> - for a waterfall plot
3934of multiple powder profiles, increase the offset to the left. Does not apply if
3935only one pattern.</p>
3936
3937<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3938auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3939style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3940style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3941style='mso-bidi-font-weight:normal'>d: offset down</b> - for a waterfall plot
3942of multiple powder profiles, increase the offset down. Does not apply if only
3943one pattern.</p>
3944
3945<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3946auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3947style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3948style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3949style='mso-bidi-font-weight:normal'>u: offset up</b> - for a waterfall plot of multiple
3950powder profiles, increase the offset up. Does not apply if only one pattern.</p>
3951
3952<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3953auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3954style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3955style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3956style='mso-bidi-font-weight:normal'>o: reset offset</b> - for a waterfall plot
3957of multiple powder profiles, reset to no offset. Does not apply if only one
3958pattern.</p>
3959
3960<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3961auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3962style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3963style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3964style='mso-bidi-font-weight:normal'>n: log(I) on/off</b> &#8211; changes the
3965y-axis to be the log10 of the intensity; difference curve is not shown for
3966log(I) on.</p>
3967
3968<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3969auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3970style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3971style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3972style='mso-bidi-font-weight:normal'>c: contour on/off</b> &#8211; if multiple
3973powder profiles, then a contour plot is shown of the observed intensities. All
3974data sets must be the same length as the first one to be included in the contour
3975plot.</p>
3976
3977<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3978auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3979style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3980style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3981style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
3982x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
3983style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
3984taken at different energies on the same x-axis scale.</p>
3985
3986<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3987auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3988style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3989style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3990</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>s: toggle
3991single plot</b> &#8211; for multiple powder profiles, this will show only the
3992one selected from the data tree. The offset options are not active.</p>
3993
3994<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3995auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3996style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3997style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3998</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>w: toggle
3999divide by sig</b> &#8211; for the pattern selected from the data tree, this
4000will divide the observed, calculated and difference curves by the <span
4001class=SpellE>esd</span> for the data points. Other data sets are not shown.</p>
4002
4003<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4004auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4005style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
4006style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4007style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4008profiles, only the observed curve is shown.</p>
4009
4010<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4011style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4012style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4013style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4014line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4015
4016<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4017auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4018style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4019style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4020style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>d:
4021lower contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4022&#8211; this lowers the level chosen for the highest contour color.<o:p></o:p></span></p>
4023
4024<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4025auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4026style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4028style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4029raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4030&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4031
4032<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4033auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4034style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4035style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4036style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>i:
4037interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4038&#8211; this changes the method used to represent the contours. If selected a
4039dialog box appears with all the possible choices. Default is
4040&#8216;nearest&#8217;; the other useful choice is &#8216;bilinear&#8217;, this
4041will smooth out the contours. <o:p></o:p></span></p>
4042
4043<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4044auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4047style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>s:
4048color scheme</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4049&#8211; this changes the color scheme for the contouring. Default is
4050&#8216;Paired&#8217;, black/ white options are &#8216;Greys&#8217; and
4051&#8216;binary&#8217; (for black on white) or &#8216;gray&#8217; (for white on
4052black). Others can be very colorful (but not useful)!<o:p></o:p></span></p>
4053
4054<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4055auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4056style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
4057style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4058style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>c:
4059contour off/on</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4060&#8211; this turns off contouring and returns to a waterfall plot with any
4061offsets applied.<o:p></o:p></span></p>
4062
4063<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4064style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
4065style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4066style='mso-fareast-font-family:"Times New Roman"'>Depending on the item chosen
4067for the selected powder pattern in the data tree, the mouse buttons have
4068different actions:<o:p></o:p></span></p>
4069
4070<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4071auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4072style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4073style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4074style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b><span
4075style='mso-fareast-font-family:"Times New Roman"'> - Modify the values of
4076&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
4077(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
4078line) into position. A left or right mouse click on a data point on the plot
4079will set the associated limit. In either case the appropriate value on the
4080&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
4081
4082<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
4083text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4084style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4085style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4086style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
4087
4088<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
4089"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
4090
4091<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
4092style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
4093
4094<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
4095variance-covariance matrix as a color coded array is shown on this page. The
4096color bar to the right shows the range of <span class=SpellE>covariances</span>
4097(-1 to 1) and corresponding colors. The parameter names are to the right and
4098the parameter numbers are below the plot.<o:p></o:p></span></p>
4099
4100<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4101
4102<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
4103style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
4104style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
4105the mouse cursor across the plot. If on a diagonal cell, the parameter name,
4106value and <span class=SpellE>esd</span> is shown both as a tool tip and in the right
4107hand portion of the status bar. If the cursor is off the diagonal, the two
4108parameter names and their covariance are shown in the tool tip and the status
4109bar.</p>
4110
4111<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
4112style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
4113style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
4114the Zoom and Pan buttons to focus on some section of the variance-covariance
4115matrix. </p>
4116
4117<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
4118style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4119style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Type
4120&#8216;s&#8217; &#8211; A color scheme selection dialog is shown. Select a
4121color scheme and press OK, the new color scheme will be plotted. The default is
4122