source: trunk/help/gsasII.html @ 610

Last change on this file since 610 was 610, checked in by vondreele, 10 years ago

minor cdhange to GSAS

  • Property svn:keywords set to Author
  • Property svn:mime-type set to text/html
File size: 220.7 KB
Line 
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>92</o:Revision>
28  <o:TotalTime>2863</o:TotalTime>
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34  <o:Company>Argonne National Laboratory</o:Company>
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381        mso-fareast-theme-font:minor-fareast;}
382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-noshow:yes;
432        mso-style-priority:9;
433        mso-style-qformat:yes;
434        mso-style-link:"Heading 4 Char";
435        mso-style-next:Normal;
436        margin-top:10.0pt;
437        margin-right:0in;
438        margin-bottom:0in;
439        margin-left:0in;
440        margin-bottom:.0001pt;
441        mso-pagination:widow-orphan lines-together;
442        page-break-after:avoid;
443        mso-outline-level:4;
444        font-size:13.0pt;
445        font-family:"Cambria","serif";
446        mso-ascii-font-family:Cambria;
447        mso-ascii-theme-font:major-latin;
448        mso-fareast-font-family:"Times New Roman";
449        mso-fareast-theme-font:major-fareast;
450        mso-hansi-font-family:Cambria;
451        mso-hansi-theme-font:major-latin;
452        mso-bidi-font-family:"Times New Roman";
453        mso-bidi-theme-font:major-bidi;
454        color:#4F81BD;
455        mso-themecolor:accent1;
456        font-weight:bold;
457        font-style:italic;}
458h5
459        {mso-style-noshow:yes;
460        mso-style-priority:9;
461        mso-style-qformat:yes;
462        mso-style-link:"Heading 5 Char";
463        mso-margin-top-alt:auto;
464        margin-right:0in;
465        mso-margin-bottom-alt:auto;
466        margin-left:0in;
467        mso-pagination:widow-orphan;
468        mso-outline-level:5;
469        font-size:12.0pt;
470        font-family:"Times New Roman","serif";
471        mso-fareast-font-family:"Times New Roman";
472        mso-fareast-theme-font:minor-fareast;
473        color:#4F4FFF;
474        font-weight:bold;}
475p.MsoTitle, li.MsoTitle, div.MsoTitle
476        {mso-style-noshow:yes;
477        mso-style-priority:10;
478        mso-style-unhide:no;
479        mso-style-qformat:yes;
480        mso-style-link:"Title Char";
481        mso-style-next:Normal;
482        margin-top:0in;
483        margin-right:0in;
484        margin-bottom:15.0pt;
485        margin-left:0in;
486        mso-add-space:auto;
487        mso-pagination:widow-orphan;
488        border:none;
489        mso-border-bottom-alt:solid #4F81BD 1.0pt;
490        mso-border-bottom-themecolor:accent1;
491        padding:0in;
492        mso-padding-alt:0in 0in 4.0pt 0in;
493        font-size:26.0pt;
494        font-family:"Cambria","serif";
495        mso-ascii-font-family:Cambria;
496        mso-ascii-theme-font:major-latin;
497        mso-fareast-font-family:"Times New Roman";
498        mso-fareast-theme-font:major-fareast;
499        mso-hansi-font-family:Cambria;
500        mso-hansi-theme-font:major-latin;
501        mso-bidi-font-family:"Times New Roman";
502        mso-bidi-theme-font:major-bidi;
503        color:#17365D;
504        mso-themecolor:text2;
505        mso-themeshade:191;
506        letter-spacing:.25pt;
507        mso-font-kerning:14.0pt;}
508p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
509        {mso-style-noshow:yes;
510        mso-style-priority:10;
511        mso-style-unhide:no;
512        mso-style-qformat:yes;
513        mso-style-link:"Title Char";
514        mso-style-next:Normal;
515        mso-style-type:export-only;
516        margin:0in;
517        margin-bottom:.0001pt;
518        mso-add-space:auto;
519        mso-pagination:widow-orphan;
520        border:none;
521        mso-border-bottom-alt:solid #4F81BD 1.0pt;
522        mso-border-bottom-themecolor:accent1;
523        padding:0in;
524        mso-padding-alt:0in 0in 4.0pt 0in;
525        font-size:26.0pt;
526        font-family:"Cambria","serif";
527        mso-ascii-font-family:Cambria;
528        mso-ascii-theme-font:major-latin;
529        mso-fareast-font-family:"Times New Roman";
530        mso-fareast-theme-font:major-fareast;
531        mso-hansi-font-family:Cambria;
532        mso-hansi-theme-font:major-latin;
533        mso-bidi-font-family:"Times New Roman";
534        mso-bidi-theme-font:major-bidi;
535        color:#17365D;
536        mso-themecolor:text2;
537        mso-themeshade:191;
538        letter-spacing:.25pt;
539        mso-font-kerning:14.0pt;}
540p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
541        {mso-style-noshow:yes;
542        mso-style-priority:10;
543        mso-style-unhide:no;
544        mso-style-qformat:yes;
545        mso-style-link:"Title Char";
546        mso-style-next:Normal;
547        mso-style-type:export-only;
548        margin:0in;
549        margin-bottom:.0001pt;
550        mso-add-space:auto;
551        mso-pagination:widow-orphan;
552        border:none;
553        mso-border-bottom-alt:solid #4F81BD 1.0pt;
554        mso-border-bottom-themecolor:accent1;
555        padding:0in;
556        mso-padding-alt:0in 0in 4.0pt 0in;
557        font-size:26.0pt;
558        font-family:"Cambria","serif";
559        mso-ascii-font-family:Cambria;
560        mso-ascii-theme-font:major-latin;
561        mso-fareast-font-family:"Times New Roman";
562        mso-fareast-theme-font:major-fareast;
563        mso-hansi-font-family:Cambria;
564        mso-hansi-theme-font:major-latin;
565        mso-bidi-font-family:"Times New Roman";
566        mso-bidi-theme-font:major-bidi;
567        color:#17365D;
568        mso-themecolor:text2;
569        mso-themeshade:191;
570        letter-spacing:.25pt;
571        mso-font-kerning:14.0pt;}
572p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
573        {mso-style-noshow:yes;
574        mso-style-priority:10;
575        mso-style-unhide:no;
576        mso-style-qformat:yes;
577        mso-style-link:"Title Char";
578        mso-style-next:Normal;
579        mso-style-type:export-only;
580        margin-top:0in;
581        margin-right:0in;
582        margin-bottom:15.0pt;
583        margin-left:0in;
584        mso-add-space:auto;
585        mso-pagination:widow-orphan;
586        border:none;
587        mso-border-bottom-alt:solid #4F81BD 1.0pt;
588        mso-border-bottom-themecolor:accent1;
589        padding:0in;
590        mso-padding-alt:0in 0in 4.0pt 0in;
591        font-size:26.0pt;
592        font-family:"Cambria","serif";
593        mso-ascii-font-family:Cambria;
594        mso-ascii-theme-font:major-latin;
595        mso-fareast-font-family:"Times New Roman";
596        mso-fareast-theme-font:major-fareast;
597        mso-hansi-font-family:Cambria;
598        mso-hansi-theme-font:major-latin;
599        mso-bidi-font-family:"Times New Roman";
600        mso-bidi-theme-font:major-bidi;
601        color:#17365D;
602        mso-themecolor:text2;
603        mso-themeshade:191;
604        letter-spacing:.25pt;
605        mso-font-kerning:14.0pt;}
606a:link, span.MsoHyperlink
607        {mso-style-noshow:yes;
608        mso-style-priority:99;
609        color:blue;
610        text-decoration:underline;
611        text-underline:single;}
612a:visited, span.MsoHyperlinkFollowed
613        {mso-style-noshow:yes;
614        mso-style-priority:99;
615        color:purple;
616        text-decoration:underline;
617        text-underline:single;}
618p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
619        {mso-style-noshow:yes;
620        mso-style-priority:99;
621        mso-style-link:"Document Map Char";
622        margin:0in;
623        margin-bottom:.0001pt;
624        mso-pagination:widow-orphan;
625        font-size:8.0pt;
626        font-family:"Tahoma","sans-serif";
627        mso-fareast-font-family:"Times New Roman";
628        mso-fareast-theme-font:minor-fareast;}
629p
630        {mso-style-noshow:yes;
631        mso-style-priority:99;
632        mso-margin-top-alt:auto;
633        margin-right:0in;
634        mso-margin-bottom-alt:auto;
635        margin-left:0in;
636        mso-pagination:widow-orphan;
637        font-size:12.0pt;
638        font-family:"Times New Roman","serif";
639        mso-fareast-font-family:"Times New Roman";
640        mso-fareast-theme-font:minor-fareast;}
641pre
642        {mso-style-noshow:yes;
643        mso-style-priority:99;
644        mso-style-link:"HTML Preformatted Char";
645        margin:0in;
646        margin-bottom:.0001pt;
647        mso-pagination:widow-orphan;
648        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;
649        font-size:10.0pt;
650        font-family:"Courier New";
651        mso-fareast-font-family:"Times New Roman";}
652p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
653        {mso-style-noshow:yes;
654        mso-style-priority:99;
655        mso-style-link:"Balloon Text Char";
656        margin:0in;
657        margin-bottom:.0001pt;
658        mso-pagination:widow-orphan;
659        font-size:8.0pt;
660        font-family:"Tahoma","sans-serif";
661        mso-fareast-font-family:"Times New Roman";
662        mso-fareast-theme-font:minor-fareast;}
663span.MsoPlaceholderText
664        {mso-style-noshow:yes;
665        mso-style-priority:99;
666        mso-style-unhide:no;
667        color:gray;}
668p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
669        {mso-style-noshow:yes;
670        mso-style-priority:1;
671        mso-style-unhide:no;
672        mso-style-qformat:yes;
673        mso-style-parent:"";
674        margin:0in;
675        margin-bottom:.0001pt;
676        mso-pagination:widow-orphan;
677        font-size:12.0pt;
678        font-family:"Times New Roman","serif";
679        mso-fareast-font-family:"Times New Roman";
680        mso-fareast-theme-font:minor-fareast;}
681p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
682        {mso-style-noshow:yes;
683        mso-style-priority:34;
684        mso-style-unhide:no;
685        mso-style-qformat:yes;
686        margin-top:0in;
687        margin-right:0in;
688        margin-bottom:0in;
689        margin-left:.5in;
690        margin-bottom:.0001pt;
691        mso-add-space:auto;
692        mso-pagination:widow-orphan;
693        font-size:12.0pt;
694        font-family:"Times New Roman","serif";
695        mso-fareast-font-family:"Times New Roman";
696        mso-fareast-theme-font:minor-fareast;}
697p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
698        {mso-style-noshow:yes;
699        mso-style-priority:34;
700        mso-style-unhide:no;
701        mso-style-qformat:yes;
702        mso-style-type:export-only;
703        margin-top:0in;
704        margin-right:0in;
705        margin-bottom:0in;
706        margin-left:.5in;
707        margin-bottom:.0001pt;
708        mso-add-space:auto;
709        mso-pagination:widow-orphan;
710        font-size:12.0pt;
711        font-family:"Times New Roman","serif";
712        mso-fareast-font-family:"Times New Roman";
713        mso-fareast-theme-font:minor-fareast;}
714p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
715        {mso-style-noshow:yes;
716        mso-style-priority:34;
717        mso-style-unhide:no;
718        mso-style-qformat:yes;
719        mso-style-type:export-only;
720        margin-top:0in;
721        margin-right:0in;
722        margin-bottom:0in;
723        margin-left:.5in;
724        margin-bottom:.0001pt;
725        mso-add-space:auto;
726        mso-pagination:widow-orphan;
727        font-size:12.0pt;
728        font-family:"Times New Roman","serif";
729        mso-fareast-font-family:"Times New Roman";
730        mso-fareast-theme-font:minor-fareast;}
731p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
732        {mso-style-noshow:yes;
733        mso-style-priority:34;
734        mso-style-unhide:no;
735        mso-style-qformat:yes;
736        mso-style-type:export-only;
737        margin-top:0in;
738        margin-right:0in;
739        margin-bottom:0in;
740        margin-left:.5in;
741        margin-bottom:.0001pt;
742        mso-add-space:auto;
743        mso-pagination:widow-orphan;
744        font-size:12.0pt;
745        font-family:"Times New Roman","serif";
746        mso-fareast-font-family:"Times New Roman";
747        mso-fareast-theme-font:minor-fareast;}
748span.MsoIntenseReference
749        {mso-style-priority:32;
750        mso-style-unhide:no;
751        mso-style-qformat:yes;
752        font-variant:small-caps;
753        color:#C0504D;
754        mso-themecolor:accent2;
755        letter-spacing:.25pt;
756        font-weight:bold;
757        text-decoration:underline;
758        text-underline:single;}
759span.Heading1Char
760        {mso-style-name:"Heading 1 Char";
761        mso-style-priority:9;
762        mso-style-unhide:no;
763        mso-style-locked:yes;
764        mso-style-link:"Heading 1";
765        mso-ansi-font-size:14.0pt;
766        mso-bidi-font-size:14.0pt;
767        font-family:"Cambria","serif";
768        mso-ascii-font-family:Cambria;
769        mso-ascii-theme-font:major-latin;
770        mso-fareast-font-family:"Times New Roman";
771        mso-fareast-theme-font:major-fareast;
772        mso-hansi-font-family:Cambria;
773        mso-hansi-theme-font:major-latin;
774        mso-bidi-font-family:"Times New Roman";
775        mso-bidi-theme-font:major-bidi;
776        color:#365F91;
777        mso-themecolor:accent1;
778        mso-themeshade:191;
779        font-weight:bold;}
780span.Heading2Char
781        {mso-style-name:"Heading 2 Char";
782        mso-style-noshow:yes;
783        mso-style-priority:9;
784        mso-style-unhide:no;
785        mso-style-locked:yes;
786        mso-style-link:"Heading 2";
787        mso-ansi-font-size:13.0pt;
788        mso-bidi-font-size:13.0pt;
789        font-family:"Cambria","serif";
790        mso-ascii-font-family:Cambria;
791        mso-ascii-theme-font:major-latin;
792        mso-fareast-font-family:"Times New Roman";
793        mso-fareast-theme-font:major-fareast;
794        mso-hansi-font-family:Cambria;
795        mso-hansi-theme-font:major-latin;
796        mso-bidi-font-family:"Times New Roman";
797        mso-bidi-theme-font:major-bidi;
798        color:#4F81BD;
799        mso-themecolor:accent1;
800        font-weight:bold;}
801span.Heading3Char
802        {mso-style-name:"Heading 3 Char";
803        mso-style-noshow:yes;
804        mso-style-priority:9;
805        mso-style-unhide:no;
806        mso-style-locked:yes;
807        mso-style-link:"Heading 3";
808        mso-ansi-font-size:12.0pt;
809        mso-bidi-font-size:12.0pt;
810        font-family:"Cambria","serif";
811        mso-ascii-font-family:Cambria;
812        mso-ascii-theme-font:major-latin;
813        mso-fareast-font-family:"Times New Roman";
814        mso-fareast-theme-font:major-fareast;
815        mso-hansi-font-family:Cambria;
816        mso-hansi-theme-font:major-latin;
817        mso-bidi-font-family:"Times New Roman";
818        mso-bidi-theme-font:major-bidi;
819        color:#4F81BD;
820        mso-themecolor:accent1;
821        font-weight:bold;}
822span.Heading4Char
823        {mso-style-name:"Heading 4 Char";
824        mso-style-noshow:yes;
825        mso-style-priority:9;
826        mso-style-unhide:no;
827        mso-style-locked:yes;
828        mso-style-link:"Heading 4";
829        mso-ansi-font-size:12.0pt;
830        mso-bidi-font-size:12.0pt;
831        font-family:"Cambria","serif";
832        mso-ascii-font-family:Cambria;
833        mso-ascii-theme-font:major-latin;
834        mso-fareast-font-family:"Times New Roman";
835        mso-fareast-theme-font:major-fareast;
836        mso-hansi-font-family:Cambria;
837        mso-hansi-theme-font:major-latin;
838        mso-bidi-font-family:"Times New Roman";
839        mso-bidi-theme-font:major-bidi;
840        color:#4F81BD;
841        mso-themecolor:accent1;
842        font-weight:bold;
843        font-style:italic;}
844span.Heading5Char
845        {mso-style-name:"Heading 5 Char";
846        mso-style-noshow:yes;
847        mso-style-priority:9;
848        mso-style-unhide:no;
849        mso-style-locked:yes;
850        mso-style-link:"Heading 5";
851        mso-ansi-font-size:12.0pt;
852        mso-bidi-font-size:12.0pt;
853        font-family:"Cambria","serif";
854        mso-ascii-font-family:Cambria;
855        mso-ascii-theme-font:major-latin;
856        mso-fareast-font-family:"Times New Roman";
857        mso-fareast-theme-font:major-fareast;
858        mso-hansi-font-family:Cambria;
859        mso-hansi-theme-font:major-latin;
860        mso-bidi-font-family:"Times New Roman";
861        mso-bidi-theme-font:major-bidi;
862        color:#243F60;
863        mso-themecolor:accent1;
864        mso-themeshade:127;}
865span.HTMLPreformattedChar
866        {mso-style-name:"HTML Preformatted Char";
867        mso-style-noshow:yes;
868        mso-style-priority:99;
869        mso-style-unhide:no;
870        mso-style-locked:yes;
871        mso-style-link:"HTML Preformatted";
872        font-family:"Courier New";
873        mso-ascii-font-family:"Courier New";
874        mso-hansi-font-family:"Courier New";
875        mso-bidi-font-family:"Courier New";}
876span.TitleChar
877        {mso-style-name:"Title Char";
878        mso-style-priority:10;
879        mso-style-unhide:no;
880        mso-style-locked:yes;
881        mso-style-link:Title;
882        mso-ansi-font-size:26.0pt;
883        mso-bidi-font-size:26.0pt;
884        font-family:"Cambria","serif";
885        mso-ascii-font-family:Cambria;
886        mso-ascii-theme-font:major-latin;
887        mso-fareast-font-family:"Times New Roman";
888        mso-fareast-theme-font:major-fareast;
889        mso-hansi-font-family:Cambria;
890        mso-hansi-theme-font:major-latin;
891        mso-bidi-font-family:"Times New Roman";
892        mso-bidi-theme-font:major-bidi;
893        color:#17365D;
894        mso-themecolor:text2;
895        mso-themeshade:191;
896        letter-spacing:.25pt;
897        mso-font-kerning:14.0pt;}
898span.DocumentMapChar
899        {mso-style-name:"Document Map Char";
900        mso-style-noshow:yes;
901        mso-style-priority:99;
902        mso-style-unhide:no;
903        mso-style-locked:yes;
904        mso-style-link:"Document Map";
905        mso-ansi-font-size:8.0pt;
906        mso-bidi-font-size:8.0pt;
907        font-family:"Tahoma","sans-serif";
908        mso-ascii-font-family:Tahoma;
909        mso-fareast-font-family:"Times New Roman";
910        mso-fareast-theme-font:minor-fareast;
911        mso-hansi-font-family:Tahoma;
912        mso-bidi-font-family:Tahoma;}
913span.BalloonTextChar
914        {mso-style-name:"Balloon Text Char";
915        mso-style-noshow:yes;
916        mso-style-priority:99;
917        mso-style-unhide:no;
918        mso-style-locked:yes;
919        mso-style-link:"Balloon Text";
920        mso-ansi-font-size:8.0pt;
921        mso-bidi-font-size:8.0pt;
922        font-family:"Tahoma","sans-serif";
923        mso-ascii-font-family:Tahoma;
924        mso-fareast-font-family:"Times New Roman";
925        mso-fareast-theme-font:minor-fareast;
926        mso-hansi-font-family:Tahoma;
927        mso-bidi-font-family:Tahoma;}
928span.SpellE
929        {mso-style-name:"";
930        mso-spl-e:yes;}
931span.GramE
932        {mso-style-name:"";
933        mso-gram-e:yes;}
934.MsoChpDefault
935        {mso-style-type:export-only;
936        mso-default-props:yes;
937        font-size:10.0pt;
938        mso-ansi-font-size:10.0pt;
939        mso-bidi-font-size:10.0pt;}
940@page WordSection1
941        {size:8.5in 11.0in;
942        margin:1.0in 1.0in 1.0in 1.0in;
943        mso-header-margin:.5in;
944        mso-footer-margin:.5in;
945        mso-paper-source:0;}
946div.WordSection1
947        {page:WordSection1;}
948 /* List Definitions */
949 @list l0
950        {mso-list-id:142163818;
951        mso-list-type:hybrid;
952        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
953@list l0:level1
954        {mso-level-tab-stop:none;
955        mso-level-number-position:left;
956        text-indent:-.25in;}
957@list l0:level2
958        {mso-level-number-format:alpha-lower;
959        mso-level-tab-stop:none;
960        mso-level-number-position:left;
961        text-indent:-.25in;}
962@list l0:level3
963        {mso-level-number-format:roman-lower;
964        mso-level-tab-stop:none;
965        mso-level-number-position:right;
966        text-indent:-9.0pt;}
967@list l0:level4
968        {mso-level-tab-stop:2.0in;
969        mso-level-number-position:left;
970        text-indent:-.25in;}
971@list l0:level5
972        {mso-level-tab-stop:2.5in;
973        mso-level-number-position:left;
974        text-indent:-.25in;}
975@list l0:level6
976        {mso-level-tab-stop:3.0in;
977        mso-level-number-position:left;
978        text-indent:-.25in;}
979@list l0:level7
980        {mso-level-tab-stop:3.5in;
981        mso-level-number-position:left;
982        text-indent:-.25in;}
983@list l0:level8
984        {mso-level-tab-stop:4.0in;
985        mso-level-number-position:left;
986        text-indent:-.25in;}
987@list l0:level9
988        {mso-level-tab-stop:4.5in;
989        mso-level-number-position:left;
990        text-indent:-.25in;}
991@list l1
992        {mso-list-id:203979460;
993        mso-list-template-ids:88359672;}
994@list l1:level1
995        {mso-level-number-format:bullet;
996        mso-level-text:\F0B7;
997        mso-level-tab-stop:.5in;
998        mso-level-number-position:left;
999        text-indent:-.25in;
1000        mso-ansi-font-size:10.0pt;
1001        font-family:Symbol;}
1002@list l1:level2
1003        {mso-level-tab-stop:1.0in;
1004        mso-level-number-position:left;
1005        text-indent:-.25in;}
1006@list l1:level3
1007        {mso-level-tab-stop:1.5in;
1008        mso-level-number-position:left;
1009        text-indent:-.25in;}
1010@list l1:level4
1011        {mso-level-tab-stop:2.0in;
1012        mso-level-number-position:left;
1013        text-indent:-.25in;}
1014@list l1:level5
1015        {mso-level-tab-stop:2.5in;
1016        mso-level-number-position:left;
1017        text-indent:-.25in;}
1018@list l1:level6
1019        {mso-level-tab-stop:3.0in;
1020        mso-level-number-position:left;
1021        text-indent:-.25in;}
1022@list l1:level7
1023        {mso-level-tab-stop:3.5in;
1024        mso-level-number-position:left;
1025        text-indent:-.25in;}
1026@list l1:level8
1027        {mso-level-tab-stop:4.0in;
1028        mso-level-number-position:left;
1029        text-indent:-.25in;}
1030@list l1:level9
1031        {mso-level-tab-stop:4.5in;
1032        mso-level-number-position:left;
1033        text-indent:-.25in;}
1034@list l2
1035        {mso-list-id:268514595;
1036        mso-list-type:hybrid;
1037        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1038@list l2:level1
1039        {mso-level-number-format:alpha-lower;
1040        mso-level-tab-stop:none;
1041        mso-level-number-position:left;
1042        margin-left:1.0in;
1043        text-indent:-.25in;
1044        mso-ansi-font-weight:normal;}
1045@list l2:level2
1046        {mso-level-tab-stop:1.0in;
1047        mso-level-number-position:left;
1048        text-indent:-.25in;}
1049@list l2:level3
1050        {mso-level-tab-stop:112.5pt;
1051        mso-level-number-position:left;
1052        margin-left:112.5pt;
1053        text-indent:-.25in;}
1054@list l2:level4
1055        {mso-level-tab-stop:2.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l2:level5
1059        {mso-level-tab-stop:2.5in;
1060        mso-level-number-position:left;
1061        text-indent:-.25in;}
1062@list l2:level6
1063        {mso-level-tab-stop:3.0in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l2:level7
1067        {mso-level-tab-stop:3.5in;
1068        mso-level-number-position:left;
1069        text-indent:-.25in;}
1070@list l2:level8
1071        {mso-level-tab-stop:4.0in;
1072        mso-level-number-position:left;
1073        text-indent:-.25in;}
1074@list l2:level9
1075        {mso-level-tab-stop:4.5in;
1076        mso-level-number-position:left;
1077        text-indent:-.25in;}
1078@list l3
1079        {mso-list-id:301277244;
1080        mso-list-template-ids:-445226636;}
1081@list l3:level1
1082        {mso-level-tab-stop:none;
1083        mso-level-number-position:left;
1084        text-indent:-.25in;}
1085@list l3:level2
1086        {mso-level-number-format:alpha-lower;
1087        mso-level-tab-stop:1.0in;
1088        mso-level-number-position:left;
1089        text-indent:-.25in;}
1090@list l3:level3
1091        {mso-level-tab-stop:1.5in;
1092        mso-level-number-position:left;
1093        text-indent:-.25in;}
1094@list l3:level4
1095        {mso-level-number-format:alpha-lower;
1096        mso-level-tab-stop:2.0in;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l3:level5
1100        {mso-level-tab-stop:2.5in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l3:level6
1104        {mso-level-tab-stop:3.0in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l3:level7
1108        {mso-level-tab-stop:3.5in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l3:level8
1112        {mso-level-tab-stop:4.0in;
1113        mso-level-number-position:left;
1114        text-indent:-.25in;}
1115@list l3:level9
1116        {mso-level-tab-stop:4.5in;
1117        mso-level-number-position:left;
1118        text-indent:-.25in;}
1119@list l4
1120        {mso-list-id:424421782;
1121        mso-list-template-ids:-445226636;}
1122@list l4:level1
1123        {mso-level-tab-stop:none;
1124        mso-level-number-position:left;
1125        text-indent:-.25in;}
1126@list l4:level2
1127        {mso-level-number-format:alpha-lower;
1128        mso-level-tab-stop:1.0in;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l4:level3
1132        {mso-level-tab-stop:1.5in;
1133        mso-level-number-position:left;
1134        text-indent:-.25in;}
1135@list l4:level4
1136        {mso-level-number-format:alpha-lower;
1137        mso-level-tab-stop:2.0in;
1138        mso-level-number-position:left;
1139        text-indent:-.25in;}
1140@list l4:level5
1141        {mso-level-tab-stop:2.5in;
1142        mso-level-number-position:left;
1143        text-indent:-.25in;}
1144@list l4:level6
1145        {mso-level-tab-stop:3.0in;
1146        mso-level-number-position:left;
1147        text-indent:-.25in;}
1148@list l4:level7
1149        {mso-level-tab-stop:3.5in;
1150        mso-level-number-position:left;
1151        text-indent:-.25in;}
1152@list l4:level8
1153        {mso-level-tab-stop:4.0in;
1154        mso-level-number-position:left;
1155        text-indent:-.25in;}
1156@list l4:level9
1157        {mso-level-tab-stop:4.5in;
1158        mso-level-number-position:left;
1159        text-indent:-.25in;}
1160@list l5
1161        {mso-list-id:617220658;
1162        mso-list-type:hybrid;
1163        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1164@list l5:level1
1165        {mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l5:level2
1169        {mso-level-tab-stop:1.0in;
1170        mso-level-number-position:left;
1171        text-indent:-.25in;}
1172@list l5:level3
1173        {mso-level-tab-stop:1.5in;
1174        mso-level-number-position:left;
1175        text-indent:-.25in;}
1176@list l5:level4
1177        {mso-level-tab-stop:2.0in;
1178        mso-level-number-position:left;
1179        text-indent:-.25in;}
1180@list l5:level5
1181        {mso-level-tab-stop:2.5in;
1182        mso-level-number-position:left;
1183        text-indent:-.25in;}
1184@list l5:level6
1185        {mso-level-tab-stop:3.0in;
1186        mso-level-number-position:left;
1187        text-indent:-.25in;}
1188@list l5:level7
1189        {mso-level-tab-stop:3.5in;
1190        mso-level-number-position:left;
1191        text-indent:-.25in;}
1192@list l5:level8
1193        {mso-level-tab-stop:4.0in;
1194        mso-level-number-position:left;
1195        text-indent:-.25in;}
1196@list l5:level9
1197        {mso-level-tab-stop:4.5in;
1198        mso-level-number-position:left;
1199        text-indent:-.25in;}
1200@list l6
1201        {mso-list-id:649361966;
1202        mso-list-template-ids:326264828;}
1203@list l6:level1
1204        {mso-level-tab-stop:none;
1205        mso-level-number-position:left;
1206        text-indent:-.25in;}
1207@list l6:level2
1208        {mso-level-number-format:alpha-lower;
1209        mso-level-tab-stop:1.0in;
1210        mso-level-number-position:left;
1211        text-indent:-.25in;
1212        mso-ansi-font-size:12.0pt;
1213        font-family:"Times New Roman","serif";
1214        mso-ansi-font-weight:normal;
1215        mso-ansi-font-style:normal;}
1216@list l6:level3
1217        {mso-level-tab-stop:1.5in;
1218        mso-level-number-position:left;
1219        text-indent:-.25in;}
1220@list l6:level4
1221        {mso-level-number-format:alpha-lower;
1222        mso-level-tab-stop:2.0in;
1223        mso-level-number-position:left;
1224        text-indent:-.25in;}
1225@list l6:level5
1226        {mso-level-tab-stop:2.5in;
1227        mso-level-number-position:left;
1228        text-indent:-.25in;}
1229@list l6:level6
1230        {mso-level-tab-stop:3.0in;
1231        mso-level-number-position:left;
1232        text-indent:-.25in;}
1233@list l6:level7
1234        {mso-level-tab-stop:3.5in;
1235        mso-level-number-position:left;
1236        text-indent:-.25in;}
1237@list l6:level8
1238        {mso-level-tab-stop:4.0in;
1239        mso-level-number-position:left;
1240        text-indent:-.25in;}
1241@list l6:level9
1242        {mso-level-tab-stop:4.5in;
1243        mso-level-number-position:left;
1244        text-indent:-.25in;}
1245@list l7
1246        {mso-list-id:656106218;
1247        mso-list-type:hybrid;
1248        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1249@list l7:level1
1250        {mso-level-tab-stop:none;
1251        mso-level-number-position:left;
1252        text-indent:-.25in;}
1253@list l7:level2
1254        {mso-level-tab-stop:1.0in;
1255        mso-level-number-position:left;
1256        text-indent:-.25in;}
1257@list l7:level3
1258        {mso-level-tab-stop:1.5in;
1259        mso-level-number-position:left;
1260        text-indent:-.25in;}
1261@list l7:level4
1262        {mso-level-tab-stop:2.0in;
1263        mso-level-number-position:left;
1264        text-indent:-.25in;}
1265@list l7:level5
1266        {mso-level-tab-stop:2.5in;
1267        mso-level-number-position:left;
1268        text-indent:-.25in;}
1269@list l7:level6
1270        {mso-level-tab-stop:3.0in;
1271        mso-level-number-position:left;
1272        text-indent:-.25in;}
1273@list l7:level7
1274        {mso-level-tab-stop:3.5in;
1275        mso-level-number-position:left;
1276        text-indent:-.25in;}
1277@list l7:level8
1278        {mso-level-tab-stop:4.0in;
1279        mso-level-number-position:left;
1280        text-indent:-.25in;}
1281@list l7:level9
1282        {mso-level-tab-stop:4.5in;
1283        mso-level-number-position:left;
1284        text-indent:-.25in;}
1285@list l8
1286        {mso-list-id:734669460;
1287        mso-list-type:hybrid;
1288        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1289@list l8:level1
1290        {mso-level-tab-stop:none;
1291        mso-level-number-position:left;
1292        text-indent:-.25in;}
1293@list l8:level2
1294        {mso-level-tab-stop:1.0in;
1295        mso-level-number-position:left;
1296        text-indent:-.25in;}
1297@list l8:level3
1298        {mso-level-tab-stop:1.5in;
1299        mso-level-number-position:left;
1300        text-indent:-.25in;}
1301@list l8:level4
1302        {mso-level-tab-stop:2.0in;
1303        mso-level-number-position:left;
1304        text-indent:-.25in;}
1305@list l8:level5
1306        {mso-level-tab-stop:2.5in;
1307        mso-level-number-position:left;
1308        text-indent:-.25in;}
1309@list l8:level6
1310        {mso-level-tab-stop:3.0in;
1311        mso-level-number-position:left;
1312        text-indent:-.25in;}
1313@list l8:level7
1314        {mso-level-tab-stop:3.5in;
1315        mso-level-number-position:left;
1316        text-indent:-.25in;}
1317@list l8:level8
1318        {mso-level-tab-stop:4.0in;
1319        mso-level-number-position:left;
1320        text-indent:-.25in;}
1321@list l8:level9
1322        {mso-level-tab-stop:4.5in;
1323        mso-level-number-position:left;
1324        text-indent:-.25in;}
1325@list l9
1326        {mso-list-id:742676264;
1327        mso-list-template-ids:326264828;}
1328@list l9:level1
1329        {mso-level-tab-stop:none;
1330        mso-level-number-position:left;
1331        text-indent:-.25in;}
1332@list l9:level2
1333        {mso-level-number-format:alpha-lower;
1334        mso-level-tab-stop:1.0in;
1335        mso-level-number-position:left;
1336        text-indent:-.25in;
1337        mso-ansi-font-size:12.0pt;
1338        font-family:"Times New Roman","serif";
1339        mso-ansi-font-weight:normal;
1340        mso-ansi-font-style:normal;}
1341@list l9:level3
1342        {mso-level-tab-stop:1.5in;
1343        mso-level-number-position:left;
1344        text-indent:-.25in;}
1345@list l9:level4
1346        {mso-level-number-format:alpha-lower;
1347        mso-level-tab-stop:2.0in;
1348        mso-level-number-position:left;
1349        text-indent:-.25in;}
1350@list l9:level5
1351        {mso-level-tab-stop:2.5in;
1352        mso-level-number-position:left;
1353        text-indent:-.25in;}
1354@list l9:level6
1355        {mso-level-tab-stop:3.0in;
1356        mso-level-number-position:left;
1357        text-indent:-.25in;}
1358@list l9:level7
1359        {mso-level-tab-stop:3.5in;
1360        mso-level-number-position:left;
1361        text-indent:-.25in;}
1362@list l9:level8
1363        {mso-level-tab-stop:4.0in;
1364        mso-level-number-position:left;
1365        text-indent:-.25in;}
1366@list l9:level9
1367        {mso-level-tab-stop:4.5in;
1368        mso-level-number-position:left;
1369        text-indent:-.25in;}
1370@list l10
1371        {mso-list-id:919948450;
1372        mso-list-type:hybrid;
1373        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1374@list l10:level1
1375        {mso-level-tab-stop:none;
1376        mso-level-number-position:left;
1377        text-indent:-.25in;}
1378@list l10:level2
1379        {mso-level-tab-stop:1.0in;
1380        mso-level-number-position:left;
1381        text-indent:-.25in;}
1382@list l10:level3
1383        {mso-level-tab-stop:1.5in;
1384        mso-level-number-position:left;
1385        text-indent:-.25in;}
1386@list l10:level4
1387        {mso-level-tab-stop:2.0in;
1388        mso-level-number-position:left;
1389        text-indent:-.25in;}
1390@list l10:level5
1391        {mso-level-tab-stop:2.5in;
1392        mso-level-number-position:left;
1393        text-indent:-.25in;}
1394@list l10:level6
1395        {mso-level-tab-stop:3.0in;
1396        mso-level-number-position:left;
1397        text-indent:-.25in;}
1398@list l10:level7
1399        {mso-level-tab-stop:3.5in;
1400        mso-level-number-position:left;
1401        text-indent:-.25in;}
1402@list l10:level8
1403        {mso-level-tab-stop:4.0in;
1404        mso-level-number-position:left;
1405        text-indent:-.25in;}
1406@list l10:level9
1407        {mso-level-tab-stop:4.5in;
1408        mso-level-number-position:left;
1409        text-indent:-.25in;}
1410@list l11
1411        {mso-list-id:1035230400;
1412        mso-list-type:hybrid;
1413        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1414@list l11:level1
1415        {mso-level-tab-stop:none;
1416        mso-level-number-position:left;
1417        text-indent:-.25in;}
1418@list l11:level2
1419        {mso-level-number-format:alpha-lower;
1420        mso-level-tab-stop:none;
1421        mso-level-number-position:left;
1422        text-indent:-.25in;}
1423@list l11:level3
1424        {mso-level-tab-stop:1.5in;
1425        mso-level-number-position:left;
1426        text-indent:-.25in;}
1427@list l11:level4
1428        {mso-level-tab-stop:2.0in;
1429        mso-level-number-position:left;
1430        text-indent:-.25in;}
1431@list l11:level5
1432        {mso-level-tab-stop:2.5in;
1433        mso-level-number-position:left;
1434        text-indent:-.25in;}
1435@list l11:level6
1436        {mso-level-tab-stop:3.0in;
1437        mso-level-number-position:left;
1438        text-indent:-.25in;}
1439@list l11:level7
1440        {mso-level-tab-stop:3.5in;
1441        mso-level-number-position:left;
1442        text-indent:-.25in;}
1443@list l11:level8
1444        {mso-level-tab-stop:4.0in;
1445        mso-level-number-position:left;
1446        text-indent:-.25in;}
1447@list l11:level9
1448        {mso-level-tab-stop:4.5in;
1449        mso-level-number-position:left;
1450        text-indent:-.25in;}
1451@list l12
1452        {mso-list-id:1074664733;
1453        mso-list-type:hybrid;
1454        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1455@list l12:level1
1456        {mso-level-number-format:alpha-lower;
1457        mso-level-tab-stop:none;
1458        mso-level-number-position:left;
1459        margin-left:1.0in;
1460        text-indent:-.25in;
1461        mso-ansi-font-weight:normal;}
1462@list l12:level2
1463        {mso-level-number-format:alpha-lower;
1464        mso-level-tab-stop:none;
1465        mso-level-number-position:left;
1466        text-indent:-.25in;}
1467@list l12:level3
1468        {mso-level-tab-stop:1.5in;
1469        mso-level-number-position:left;
1470        text-indent:-.25in;}
1471@list l12:level4
1472        {mso-level-tab-stop:2.0in;
1473        mso-level-number-position:left;
1474        text-indent:-.25in;}
1475@list l12:level5
1476        {mso-level-tab-stop:2.5in;
1477        mso-level-number-position:left;
1478        text-indent:-.25in;}
1479@list l12:level6
1480        {mso-level-tab-stop:3.0in;
1481        mso-level-number-position:left;
1482        text-indent:-.25in;}
1483@list l12:level7
1484        {mso-level-tab-stop:3.5in;
1485        mso-level-number-position:left;
1486        text-indent:-.25in;}
1487@list l12:level8
1488        {mso-level-tab-stop:4.0in;
1489        mso-level-number-position:left;
1490        text-indent:-.25in;}
1491@list l12:level9
1492        {mso-level-tab-stop:4.5in;
1493        mso-level-number-position:left;
1494        text-indent:-.25in;}
1495@list l13
1496        {mso-list-id:1162892763;
1497        mso-list-type:hybrid;
1498        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1499@list l13:level1
1500        {mso-level-number-format:alpha-lower;
1501        mso-level-tab-stop:none;
1502        mso-level-number-position:left;
1503        margin-left:1.0in;
1504        text-indent:-.25in;}
1505@list l13:level2
1506        {mso-level-tab-stop:1.0in;
1507        mso-level-number-position:left;
1508        text-indent:-.25in;}
1509@list l13:level3
1510        {mso-level-tab-stop:1.5in;
1511        mso-level-number-position:left;
1512        text-indent:-.25in;}
1513@list l13:level4
1514        {mso-level-tab-stop:2.0in;
1515        mso-level-number-position:left;
1516        text-indent:-.25in;}
1517@list l13:level5
1518        {mso-level-tab-stop:2.5in;
1519        mso-level-number-position:left;
1520        text-indent:-.25in;}
1521@list l13:level6
1522        {mso-level-tab-stop:3.0in;
1523        mso-level-number-position:left;
1524        text-indent:-.25in;}
1525@list l13:level7
1526        {mso-level-tab-stop:3.5in;
1527        mso-level-number-position:left;
1528        text-indent:-.25in;}
1529@list l13:level8
1530        {mso-level-tab-stop:4.0in;
1531        mso-level-number-position:left;
1532        text-indent:-.25in;}
1533@list l13:level9
1534        {mso-level-tab-stop:4.5in;
1535        mso-level-number-position:left;
1536        text-indent:-.25in;}
1537@list l14
1538        {mso-list-id:1323200535;
1539        mso-list-type:hybrid;
1540        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1541@list l14:level1
1542        {mso-level-number-format:alpha-lower;
1543        mso-level-tab-stop:none;
1544        mso-level-number-position:left;
1545        margin-left:1.0in;
1546        text-indent:-.25in;}
1547@list l14:level2
1548        {mso-level-tab-stop:1.0in;
1549        mso-level-number-position:left;
1550        text-indent:-.25in;}
1551@list l14:level3
1552        {mso-level-tab-stop:1.5in;
1553        mso-level-number-position:left;
1554        text-indent:-.25in;}
1555@list l14:level4
1556        {mso-level-tab-stop:2.0in;
1557        mso-level-number-position:left;
1558        text-indent:-.25in;}
1559@list l14:level5
1560        {mso-level-tab-stop:2.5in;
1561        mso-level-number-position:left;
1562        text-indent:-.25in;}
1563@list l14:level6
1564        {mso-level-tab-stop:3.0in;
1565        mso-level-number-position:left;
1566        text-indent:-.25in;}
1567@list l14:level7
1568        {mso-level-tab-stop:3.5in;
1569        mso-level-number-position:left;
1570        text-indent:-.25in;}
1571@list l14:level8
1572        {mso-level-tab-stop:4.0in;
1573        mso-level-number-position:left;
1574        text-indent:-.25in;}
1575@list l14:level9
1576        {mso-level-tab-stop:4.5in;
1577        mso-level-number-position:left;
1578        text-indent:-.25in;}
1579@list l15
1580        {mso-list-id:1326516832;
1581        mso-list-type:hybrid;
1582        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1583@list l15:level1
1584        {mso-level-tab-stop:none;
1585        mso-level-number-position:left;
1586        text-indent:-.25in;}
1587@list l15:level2
1588        {mso-level-tab-stop:1.0in;
1589        mso-level-number-position:left;
1590        text-indent:-.25in;}
1591@list l15:level3
1592        {mso-level-tab-stop:1.5in;
1593        mso-level-number-position:left;
1594        text-indent:-.25in;}
1595@list l15:level4
1596        {mso-level-tab-stop:2.0in;
1597        mso-level-number-position:left;
1598        text-indent:-.25in;}
1599@list l15:level5
1600        {mso-level-tab-stop:2.5in;
1601        mso-level-number-position:left;
1602        text-indent:-.25in;}
1603@list l15:level6
1604        {mso-level-tab-stop:3.0in;
1605        mso-level-number-position:left;
1606        text-indent:-.25in;}
1607@list l15:level7
1608        {mso-level-tab-stop:3.5in;
1609        mso-level-number-position:left;
1610        text-indent:-.25in;}
1611@list l15:level8
1612        {mso-level-tab-stop:4.0in;
1613        mso-level-number-position:left;
1614        text-indent:-.25in;}
1615@list l15:level9
1616        {mso-level-tab-stop:4.5in;
1617        mso-level-number-position:left;
1618        text-indent:-.25in;}
1619@list l16
1620        {mso-list-id:1394309879;
1621        mso-list-template-ids:326264828;}
1622@list l16:level1
1623        {mso-level-tab-stop:none;
1624        mso-level-number-position:left;
1625        text-indent:-.25in;}
1626@list l16:level2
1627        {mso-level-number-format:alpha-lower;
1628        mso-level-tab-stop:1.0in;
1629        mso-level-number-position:left;
1630        text-indent:-.25in;
1631        mso-ansi-font-size:12.0pt;
1632        font-family:"Times New Roman","serif";
1633        mso-ansi-font-weight:normal;
1634        mso-ansi-font-style:normal;}
1635@list l16:level3
1636        {mso-level-tab-stop:1.5in;
1637        mso-level-number-position:left;
1638        text-indent:-.25in;}
1639@list l16:level4
1640        {mso-level-number-format:alpha-lower;
1641        mso-level-tab-stop:2.0in;
1642        mso-level-number-position:left;
1643        text-indent:-.25in;}
1644@list l16:level5
1645        {mso-level-tab-stop:2.5in;
1646        mso-level-number-position:left;
1647        text-indent:-.25in;}
1648@list l16:level6
1649        {mso-level-tab-stop:3.0in;
1650        mso-level-number-position:left;
1651        text-indent:-.25in;}
1652@list l16:level7
1653        {mso-level-tab-stop:3.5in;
1654        mso-level-number-position:left;
1655        text-indent:-.25in;}
1656@list l16:level8
1657        {mso-level-tab-stop:4.0in;
1658        mso-level-number-position:left;
1659        text-indent:-.25in;}
1660@list l16:level9
1661        {mso-level-tab-stop:4.5in;
1662        mso-level-number-position:left;
1663        text-indent:-.25in;}
1664@list l17
1665        {mso-list-id:1602683002;
1666        mso-list-type:hybrid;
1667        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1668@list l17:level1
1669        {mso-level-tab-stop:none;
1670        mso-level-number-position:left;
1671        text-indent:-.25in;}
1672@list l17:level2
1673        {mso-level-number-format:alpha-lower;
1674        mso-level-tab-stop:none;
1675        mso-level-number-position:left;
1676        text-indent:-.25in;}
1677@list l17:level3
1678        {mso-level-tab-stop:1.5in;
1679        mso-level-number-position:left;
1680        text-indent:-.25in;}
1681@list l17:level4
1682        {mso-level-tab-stop:2.0in;
1683        mso-level-number-position:left;
1684        text-indent:-.25in;}
1685@list l17:level5
1686        {mso-level-tab-stop:2.5in;
1687        mso-level-number-position:left;
1688        text-indent:-.25in;}
1689@list l17:level6
1690        {mso-level-tab-stop:3.0in;
1691        mso-level-number-position:left;
1692        text-indent:-.25in;}
1693@list l17:level7
1694        {mso-level-tab-stop:3.5in;
1695        mso-level-number-position:left;
1696        text-indent:-.25in;}
1697@list l17:level8
1698        {mso-level-tab-stop:4.0in;
1699        mso-level-number-position:left;
1700        text-indent:-.25in;}
1701@list l17:level9
1702        {mso-level-tab-stop:4.5in;
1703        mso-level-number-position:left;
1704        text-indent:-.25in;}
1705@list l18
1706        {mso-list-id:1669404025;
1707        mso-list-type:hybrid;
1708        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1709@list l18:level1
1710        {mso-level-number-format:alpha-lower;
1711        mso-level-tab-stop:none;
1712        mso-level-number-position:left;
1713        margin-left:1.0in;
1714        text-indent:-.25in;
1715        mso-ansi-font-weight:normal;}
1716@list l18:level2
1717        {mso-level-tab-stop:1.0in;
1718        mso-level-number-position:left;
1719        text-indent:-.25in;}
1720@list l18:level3
1721        {mso-level-tab-stop:112.5pt;
1722        mso-level-number-position:left;
1723        margin-left:112.5pt;
1724        text-indent:-.25in;}
1725@list l18:level4
1726        {mso-level-tab-stop:2.0in;
1727        mso-level-number-position:left;
1728        text-indent:-.25in;}
1729@list l18:level5
1730        {mso-level-tab-stop:2.5in;
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1908ol
1909        {margin-bottom:0in;}
1910ul
1911        {margin-bottom:0in;}
1912-->
1913</style>
1914<!--[if gte mso 10]>
1915<style>
1916 /* Style Definitions */
1917 table.MsoNormalTable
1918        {mso-style-name:"Table Normal";
1919        mso-tstyle-rowband-size:0;
1920        mso-tstyle-colband-size:0;
1921        mso-style-noshow:yes;
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1928        font-size:10.0pt;
1929        font-family:"Times New Roman","serif";}
1930</style>
1931<![endif]-->
1932<link href=gsasIIfav.png rel="SHORTCUT ICON">
1933<!--[if gte mso 9]><xml>
1934 <o:shapedefaults v:ext="edit" spidmax="1027"/>
1935</xml><![endif]--><!--[if gte mso 9]><xml>
1936 <o:shapelayout v:ext="edit">
1937  <o:idmap v:ext="edit" data="1"/>
1938 </o:shapelayout></xml><![endif]-->
1939</head>
1940
1941<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1942
1943<div class=WordSection1>
1944
1945<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1946 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1947 stroked="f">
1948 <v:stroke joinstyle="miter"/>
1949 <v:formulas>
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1965</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1966 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
1967 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
1968 z-index:251657728;visibility:visible;mso-wrap-style:square;
1969 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0;
1970 mso-wrap-distance-top:0;mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
1971 mso-position-horizontal:right;mso-position-horizontal-relative:text;
1972 mso-position-vertical:absolute;mso-position-vertical-relative:line;
1973 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
1974 mso-height-relative:page' o:allowoverlap="f">
1975 <v:imagedata src="gsas2logo.png"/>
1976 <w:wrap type="square" anchory="line"/>
1977</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1978align=right
1979alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
1980v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
1981for GSAS-II<o:p></o:p></span></h1>
1982
1983<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1984is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1985operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1986window, which provides a hierarchical view of the current project; the <a
1987href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1988a particular section of the project, where values can be examined and changed;
1989the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1990representations of the results; and the console which has printout information
1991that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1992
1993<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1994
1995<h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2>
1996
1997<p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span
1998style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p>
1999
2000<p class=MsoNormal><strong><a
2001href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
2002style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2003
2004<p class=MsoNormal><strong><a
2005href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2006style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2007
2008<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
2009normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2010
2011<p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight:
2012normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p>
2013
2014<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
2015style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
2016constraints</span></a><o:p></o:p></strong></p>
2017
2018<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
2019
2020<p class=MsoNormal><strong>Charge flipping structure solution (future)<o:p></o:p></strong></p>
2021
2022<div class=MsoNormal align=center style='text-align:center'><span
2023style='mso-fareast-font-family:"Times New Roman"'>
2024
2025<hr size=2 width="100%" align=center>
2026
2027</span></div>
2028
2029<div class=MsoNormal align=center style='text-align:center'><span
2030style='mso-fareast-font-family:"Times New Roman"'>
2031
2032<hr size=2 width="100%" align=center>
2033
2034</span></div>
2035
2036<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2037GSAS-II data tree<o:p></o:p></span></h2>
2038
2039<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2040is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2041Clicking on any item in the tree opens a window where information in that item
2042can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2043Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2044about how data were collected, such as the sample temperature <a
2045href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2046the selection to successive entries in the data tree; both the data window and
2047the associated plot (if any) will change.<o:p></o:p></span></p>
2048
2049<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2050
2051<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2052menus associated with this window provide access to many features of GSAS-II,
2053as outlined below: <o:p></o:p></span></p>
2054
2055<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2056style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2057style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2058&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2059
2060<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2061auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2062style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2063style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2064style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2065saved GSAS-II project file (name.gpx). If you currently have a project file
2066open, you are asked if it is OK to over write it; Cancel will cancel the
2067process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2068class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2069of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2070to e.g. name.gpx to overwrite the current version. Otherwise you may get
2071backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2072
2073<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2074auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2075style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2076style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2077style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2078project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2079tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2080there. Otherwise, you will be prompted for a new name in a file dialog (you may
2081change directory as well). If the file exists, you will be asked if it OK to
2082overwrite.</span></p>
2083
2084<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2085auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2087style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2088style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2089As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2090Save the current project to a new file. A file dialog will be shown to enter
2091the name (and change directory if desired). If the file exists, you will be
2092asked if it OK to overwrite.</span></p>
2093
2094<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2095auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2096style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2097style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2098style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2099project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2100&#8211; Close the current project; you will be asked if you want to save it
2101first.</span></p>
2102
2103<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2104auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2105style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2106style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2107style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2108style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2109program; if there is a current project you will be asked if you want to save it
2110first. Pressing the red X in the upper right (Windows) also exits (no save
2111option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2112
2113<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2114style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2115style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2116&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2117
2118<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2119auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2120style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2121style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2122style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in powder
2123diffraction patterns (multiple patterns can be selected). GSAS-II can read most
2124of the old GSAS powder format files with the position in <span class=SpellE>centidegrees</span>
21252-theta. It can also read &#8220;<span class=SpellE>xye</span>&#8221; format
2126files used by <span class=SpellE>topas</span> where the position is in degrees
21272-theta. As each file is read, an old GSAS style &#8220;instrument parameter
2128file&#8221; is searched for; if not found a <span class=SpellE>CuK</span><span
2129style='font-family:Symbol'>a</span> laboratory data set is assumed. </p>
2130
2131<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2132auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2133style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2134style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2135style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2136powder diffraction images (multiple patterns can be selected). GSAS-II can read
2137many different image file formats including MAR345 files, Quantum ADSC files,
2138and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2139formats have data fields that should contain relevant information for the
2140exposure (e.g. wavelength), these are rarely filled in correctly by the data
2141acquisition software. Thus, you should have separately noted this information
2142as it will be needed</p>
2143
2144<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2145auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2146style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2147style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2148style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2149in a list of powder pattern peak positions as either a d-spacing table or a set
2150of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2151GSAS-II powder pattern indexing. </p>
2152
2153<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2154auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2155style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2156style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2157style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2158
2159<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2160auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2161style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2162style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2163style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2164
2165<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2166auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2167style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2168style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2169style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2170
2171<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2172auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2173style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2174style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2175style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2176creation of a new phase in the data tree (under Phases). You are first prompted
2177in a dialog box for a name to be assigned to the new phase. Then the <b
2178style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2179opened for this phase; you should first select the phase type, enter the space
2180group symbol and then lattice parameters. Note that nonstandard space group
2181symbols are permitted; there must be spaces between the axial fields (e.g. use
2182&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2183
2184<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2185auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2186style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2187style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2188style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2189phase from the data tree. A dialog box will present the list of phases; pick
2190one (or more) to delete.</p>
2191
2192<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2193auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2194style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2195style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2196</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2197data</b> &#8211; This might be a bad idea!!</p>
2198
2199<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2200auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2201style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2202style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2203</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2204data</b> &#8211; This will remove an item from the data tree. A dialog box with
2205a list of choices is presented.</p>
2206
2207<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2208style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2209style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2210&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2211
2212<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2213auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2214style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2215style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2216style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2217pair distribution function (PDF) controls for each powder pattern selected in
2218the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2219style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2220Controls</a></span></b> for further directions.</p>
2221
2222<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2223auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2224style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2225style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2226style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2227&#8211; This shows a dialog box with all the parameters for your project; those
2228to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2229Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2230The total number of refined parameters is also shown at the top of the list.
2231The value of each parameter is also given. The parameter names are of the form
2232&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2233phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2234item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2235that for atom positions the value is not a <span class=SpellE>refinable</span>
2236parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2237class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2238atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2239&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2240
2241<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2242auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2243style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2244style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2245style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2246refinement (Pawley/Rietveld or single crystal) according to the controls set in
2247the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2248data tree item.</p>
2249
2250<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2251auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2252style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2253style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2254style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2255sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2256normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2257
2258<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2259style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2260style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2261&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2262
2263<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2264auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2265style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2266style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2267style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2268
2269<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2270auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2271style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2272style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2273style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2274reads one phase from a GSAS experiment file (name.EXP). The file name is found
2275in a directory dialog; you can change directories as needed. Only .EXP (or
2276.exp) file names are shown. If the selected file has more than one phase, a
2277dialog is shown with the choices; only one can be chosen. If you want more than
2278one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2279command. After selecting a phase, a dialog box is shown with the proposed phase
2280name. You can change it if desired.</p>
2281
2282<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2283auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2284style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2285style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2286style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2287the macromolecular phase information from a Protein Data Base file (name.PDB or
2288name.ENT). The file name is found in a directory dialog; you can change
2289directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2290the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2291follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2292dialog box is shown with the proposed phase name. You can change it if desired.</p>
2293
2294<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2295auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2296style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2297style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2298style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2299phase from a Crystallographic Information File (name.CIF). The file name is
2300found in a directory dialog; you can change directories as needed. Only .CIF
2301(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2302has more than one phase, a dialog is shown with the choices; only one can be
2303chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2304normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2305shown with the proposed phase name. You can change it if desired.</p>
2306
2307<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2308auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2309style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2310style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2311style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2312This reads one phase from a GSAS-II project file (name.GPX). The file name is
2313found in a directory dialog; you can change directories as needed. Only .GPX
2314(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2315has more than one phase, a dialog is shown with the choices; only one can be
2316chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2317normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2318selecting a phase, a dialog box is shown with the proposed phase name. You can
2319change it if desired.</p>
2320
2321<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2322auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2323style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2324style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2325style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2326
2327<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2328auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2329style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2330style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2331style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2332
2333<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2334style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2335style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2336&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2337
2338<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2339auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2340style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2341style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2342style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2343
2344<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2345auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2346style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2347style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2348style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2349
2350<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2351auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2354style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2355
2356<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2357auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2358style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2359style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2360style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2361
2362<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2363auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2364style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2365style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2366style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2367
2368<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2369text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2370style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2371style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2372style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2373
2374<div class=MsoNormal align=center style='text-align:center'><span
2375style='mso-fareast-font-family:"Times New Roman"'>
2376
2377<hr size=2 width="100%" align=center>
2378
2379</span></div>
2380
2381<div class=MsoNormal align=center style='text-align:center'><span
2382style='mso-fareast-font-family:"Times New Roman"'>
2383
2384<hr size=2 width="100%" align=center>
2385
2386</span></div>
2387
2388<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2389GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2390"Times New Roman"'><o:p></o:p></span></h2>
2391
2392<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2393information is displayed in the Data Editing Window, depending on which section
2394of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2395the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2396window described below. <o:p></o:p></span></p>
2397
2398<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2399style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2400
2401<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2402window provides a place for you to enter whatever text commentary you wish.
2403Each time you enter this window, a date/time entry is provided for you. A
2404possibly useful technique is to select a portion of the console window after a
2405refinement completes (it will contain refinement results with residuals, new
2406values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2407window so it becomes a part of your project file.<o:p></o:p></span></p>
2408
2409<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2410style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2411
2412<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2413window provides the main controls for the major calculations in GSAS-II. At
2414present only Refinement Controls are presented. <o:p></o:p></span></p>
2415
2416<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2417of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2418MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2419algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2420package and a third one is a python version utilizing only the <span
2421class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2422the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2423nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2424algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2425routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2426Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2427J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2428python/numpy version was developed by us based on the material in Numerical
2429Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2430&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2431algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2432
2433<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2434
2435<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2436style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2437style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2438style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2439uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2440Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2441perhaps a bit less accurate, but may be needed if the analytic functions are
2442not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2443x M (parameters x observations) and is much larger than the Hessian matrix
2444which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2445Hessian&#8217; for routine work.<o:p></o:p></span></p>
2446
2447<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2450style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2451delta-M/M&#8217; for convergence; the refinement will stop when the change in
2452the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2453force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2454(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2455to 1.0.<o:p></o:p></span></p>
2456
2457<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2458style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2459style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2460style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2461Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2462the first cycle of refinement. This value is modified by the least squares
2463routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2464needed if your initial <span class=GramE>refinement</span> trials immediately
2465diverge, however make sure your starting parameter values are
2466&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2467performance.<o:p></o:p></span></p>
2468
2469<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2470style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2471style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2472style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic Hessian&#8217;
2473is chosen then select &#8216;Max cycles&#8217;, the maximum number of least
2474squares cycles to be performed. Least squares cycles are determined by the
2475number of times a new Hessian matrix is computes; the <span class=SpellE>Levenberg</span>-Marquardt
2476algorithm may compute the function several times between cycles as it finds the
2477optimal value of the Marquardt coefficient. Choices are given in the pull down
2478selection; the default is 3 cycles.<o:p></o:p></span></p>
2479
2480<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2481style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2482style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2483style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2484refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2485
2486<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2487
2488<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2489window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2490shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2491
2492<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2493
2494<span style='mso-bookmark:Constraints'></span>
2495
2496<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2497window shows the constraints to be used in a refinement. It is organized into
2498three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2499parameters that describe aspects of the crystalline phases to be used in the
2500refinement (e.g. atom coordinates, thermal motion and site fraction
2501parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2502aspects of the pattern that depend on both the phase and the data set used in
2503the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2504"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2505and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2506that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2507and Y).<o:p></o:p></span></p>
2508
2509<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2510
2511<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2512style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2513style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2514style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2515parameter types you wish to constrain. Each will have the same possibilities in
2516the &#8216;Edit menu.<o:p></o:p></span></p>
2517
2518<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2519style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2520style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2521style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2522style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2523
2524<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2525auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2526style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2527style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2528class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2529"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2530style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2531style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2532that you wish to remain fixed although other parameters of the same type may be
2533selected as a group for refinement. For example, if the space group for a phase
2534has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2535is arbitrary and should be selected for a Hold to keep the structure from
2536drifting up or down the y-axis during refinement. If selected, a dialog box
2537will appear showing the list of available parameters; select one and then OK to
2538implement it, Cancel will cancel the operation. The held parameter will be
2539shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2540button can be used to remove it.<o:p></o:p></span></p>
2541
2542<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2543auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2544style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2545style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2546style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2547equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2548&#8211; select a list of parameters that should have the same value (possibly
2549with a non-unitary multiplier for some). Examples are a list of atoms with the
2550same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2551coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2552selected, a dialog box will appear with a list of the available parameters.
2553Select one and press OK; a second dialog box will appear with only those
2554parameters that can be made equivalent to the first one. Choose those and press
2555OK. Cancel in either dialog will cancel the operation. The equivalenced
2556parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
2557usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2558button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2559equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2560
2561<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2562auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2563style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2564style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2565style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2566constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2567&#8211; select a list of parameters whose sum (with possible non-unitary
2568multipliers) is fixed. For example, the sum of site fractions for atoms on the
2569same site could be fixed to unity. If selected, a dialog box will appear with a
2570list of the available parameters. Select one and press OK; a second dialog box
2571will appear with only those parameters that can be used in a constraint with
2572the first one. Choose those and press OK. Cancel in either dialog will cancel
2573the operation. The equivalenced parameters will show as an equation of the form
2574M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2575multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2576the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2577constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2578
2579<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2580text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2582style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2583style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2584function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2585&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2586the result of the sum can be varied in the refinement. The keyword
2587&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2588indicates your choice to refine the result of the sum. A Delete button can be
2589used to remove it.<o:p></o:p></span></p>
2590
2591<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2592style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2593
2594<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2595window is empty<o:p></o:p></span></p>
2596
2597<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2598
2599<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2600just yet<o:p></o:p></span></p>
2601
2602<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2603style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2604
2605<p class=MsoNormal>In this window is tabulated the results of your sequential
2606refinement. The columns are the parameter names; the naming convention is
2607&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2608h is the histogram number, name is the parameter name, and num (if needed) is
2609the item number (e.g. atom number). The rows are the data sets used in the
2610sequential refinement.</p>
2611
2612<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2613
2614<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2615
2616<h3>Histograms</h3>
2617
2618<p class=MsoNormal>These are shown in the data tree with a prefix of
2619&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2620&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2621constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2622analysis. Selection of these items does not produce any information in the data
2623window but does display the data in the Plots Window. They are described below.</p>
2624
2625<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2626
2627<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2628a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2629href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2630tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2631variety of subcategories in the tree are shown. The items that are shown depend
2632on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2633
2634<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2635style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2636
2637<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2638style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2639"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2640</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2641&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2642
2643<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2644text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2645style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2646style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2647style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2648style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2649&#8211; this produces a &#8216;normal probability&#8217; plot for the
2650refinement result as bounded by the limits. The slope and intercept of the
2651curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2652Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2653style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2654style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2655"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2656style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2657plot status line. The slope is the square root of GOF for the best fit set of
2658data points (~68% of the data).<o:p></o:p></span></span></p>
2659
2660<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2661
2662<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2663whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2664file was read by GSAS-II. If you are lucky, there will be useful information
2665here (e.g. sample name, date collected, wavelength used, etc.). If not, this
2666window will be blank. The text is read-only in that anything you try to enter
2667here is not saved.</span></p>
2668
2669<span style='mso-bookmark:Comments'></span>
2670
2671<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2672style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2673
2674<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2675window shows the limits in position to be used in any fitting for this powder
2676pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2677maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2678needed.<o:p></o:p></span></p>
2679
2680<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2681
2682<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2683style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2684style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2685style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2686class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2687&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2688changed (the background on the box will be blue or have a black border or a
2689vertical bar will appear in the value), then enter the new value and press
2690Enter or click the mouse elsewhere in the Background window. This will set the
2691new value.<o:p></o:p></span></p>
2692
2693<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2694style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2695style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2696style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2697&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2698(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2699line) into position. A left or right mouse click on a data point on the plot
2700will set the associated limit. In either case the appropriate value on the
2701&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2702
2703<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2704style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2705style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2706style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2707style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2708
2709<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2710text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2711style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2712style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2713style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2714style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2715limits shown to other selected powder patterns. If used, a dialog box (Copy
2716Parameters) will appear showing the list of available powder patterns, you can copy
2717the limits parameters to any or all of them; select &#8216;All&#8217; to copy
2718them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2719&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2720
2721<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2722
2723<span style='mso-bookmark:Background'></span>
2724
2725<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2726window shows the choice of background functions and coefficients to be used in
2727fitting this powder pattern. There are three types of contributions available
2728for the background:<o:p></o:p></span></p>
2729
2730<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2731A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2732&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2733interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2734interpolate&#8217;). The latter three select fixed points with spacing that is <span
2735class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2736x-coordinate. The set of magnitudes at each point then comprise the background
2737variables. All are refined when refine is selected.<o:p></o:p></span></p>
2738
2739<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2740"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2741form:<o:p></o:p></span></p>
2742
2743<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2744"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
2745 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2746 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
2747   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2748   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2749   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2750     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2751     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2752     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2753     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2754     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2755     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2756     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
2757   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2758   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2759   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2760   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2761   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2762   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2763   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2764     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2765     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2766     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2767     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2768     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2769     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2770     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
2771style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2772"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2773top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2774EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2775 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2776 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2777</v:shape><![endif]--><![if !vml]><img width=178 height=51
2778src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2779style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27801'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2781
2782<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2783style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2784variables and can be individually selected as desired; Q = 2</span><span
2785style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2786style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2787
2788<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2789A set of individual Bragg peaks using the pseudo-Voigt profile function as
2790their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2791&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2792&#8216;gam&#8217;; each can be selected for refinement. The default values for
2793sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2794to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2795
2796<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2797
2798<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2799style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2800style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2801style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2802style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2803
2804<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2805auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2806style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2807style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2808style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2809style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2810background parameters shown to other selected powder patterns. If used, a
2811dialog box (Copy Parameters) will appear showing the list of available powder
2812patterns, you can copy the background parameters to any or all of them; select
2813&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2814do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2815
2816<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2817auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2818style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2819style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2820style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2821flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2822<span class=GramE>this copies</span> only the refinement flags shown to other
2823selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2824appear showing the list of available powder patterns, you can copy the
2825refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2826to all patterns. Then select &#8216;OK&#8217; to do the copy;
2827&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2828
2829<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2830style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2831style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2832style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2833Background function from the pull down tab.<o:p></o:p></span></p>
2834
2835<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2836style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2837style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2838style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2839refine the background coefficients.<o:p></o:p></span></p>
2840
2841<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2842style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2843style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2844style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2845background coefficients to be used (1-36).<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'>5.<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 change individual
2851background coefficient values. Enter the value then press Enter or click the
2852mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2853
2854<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2855style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2856style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2857style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2858Debye scattering terms into the background. For each one you should enter a
2859sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2860an amorphous phase is appropriate. Select parameters to refine; usually start
2861with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2862
2863<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2864style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2865style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2866style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2867Bragg peaks into the background. For each you should specify at least the
2868position. Select parameters to refine; usually start with the &#8216;<span
2869class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2870
2871<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2872"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2873style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2874
2875<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2876window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2877
2878<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2879
2880<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2881style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2882style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2883style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2884style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2885
2886<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2887auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2888style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2889style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2890style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2891profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2892loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2893replacing the existing instrument parameter values. All refinement flags are
2894unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2895
2896<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2897auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2898style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2899style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2900style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2901profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2902the current instrument parameter values in a simple text file (<span
2903class=SpellE>name.instprm</span>); you will be prompted for the file name
2904&#8211; do not change the extension. This file may be edited but heed the
2905warning to not change the parameter names, the order of the parameter records
2906or add new parameter records as this will invalidate the file. You may only
2907change the numeric values if necessary. You can change or add comment records
2908(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2909
2910<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2911auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2912style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2913style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2914style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2915profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2916resets the values for the instrument parameters to the default values shown in
2917parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2918
2919<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2920auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2921style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2922style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2923style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2924style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2925instrument parameters shown to other selected powder patterns. If used, a dialog
2926box (Copy parameters) will appear showing the list of available powder
2927patterns, you can copy the instrument parameters to any or all of them; select
2928&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2929do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2930work for instrument parameters that are commensurate with the one that is
2931shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2932style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2933style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2934style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2935style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2936style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2937style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2938
2939<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2940auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2941style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2942style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2943style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2944flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2945&#8211; this copies the instrument parameter refinement flags shown to other
2946selected powder patterns. If used, a dialog box (Copy refinement flags) will
2947appear showing the list of available powder patterns, you can copy the
2948instrument parameter refinement flags to any or all of them; select
2949&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2950do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2951work for instrument parameters that are commensurate with the one that is
2952shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2953style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2954style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2955style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2956style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2957style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2958style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2959
2960<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2961auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2962style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2963style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2964style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2965radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2966&#8211; this changes the radiation between single wavelength (e.g. for
2967synchrotron source) and K</span><sub><span style='font-family:Symbol;
2968mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2969style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2970style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2971style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2972style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2973style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2974laboratory tube source).<o:p></o:p></span></p>
2975
2976<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2977style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2978style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2979style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2980profile coefficients<o:p></o:p></span></p>
2981
2982<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2983style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2984style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2985style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2986profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2987circumstances some choices are ignored e.g. Zero is not refined during peak
2988fitting. Also some choices may lead to unstable refinement, e.g. <span
2989class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2990&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2991style='mso-fareast-font-family:"Times New Roman"'> display for highly
2992correlated parameters.<o:p></o:p></span></p>
2993
2994<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2995"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2996
2997<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2998window show the various sample dependent parameters for this powder pattern.
2999The presence of a refine button indicates which can be refined while others are
3000fixed. All values can be changed in this window.<o:p></o:p></span></p>
3001
3002<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
3003Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
3004do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
3005style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
3006color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3007
3008<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3009style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3010style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3011normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3012style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3013style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3014normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3015style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3016style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3017style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3018style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3019normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3020
3021<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3022text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3023style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3026style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3027style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3028style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3029sample parameters shown to other selected powder patterns. If used, a dialog
3030box (Copy parameters) will appear showing the list of available powder
3031patterns, you can copy the sample parameters to any or all of them; select
3032&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3033do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3034
3035<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3036text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3037style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3038style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3039style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3040style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3041flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
3042style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
3043- &#8211; this copies the sample parameter refinement flags shown to other
3044selected powder patterns. If used, a dialog box (Copy refinement flags) will
3045appear showing the list of available powder patterns, you can copy the sample
3046parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3047copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3048&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3049
3050<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3051style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3052style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3053
3054<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3055window shows the list of peaks that will be used by the peak fitting
3056refinement. It is filled by picking peaks in the powder pattern displayed in
3057the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3058
3059<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3060style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3061can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3062style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3063normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3064
3065<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3066style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3067"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3068bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3069</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3070color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3071style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3072color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3073style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3074normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3075
3076<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3077tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3078style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3079normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3080style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3081class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3082style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3083color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3084peak parameters, background and instrument parameter values varied in the last
3085peak fitting refinement back to their original values. Use this to recover from
3086a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3087only a single level of recovery available.<o:p></o:p></span></span></h5>
3088
3089<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3090tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3091style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3092normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3093style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3094style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3095class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3096style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3097normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3098peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3099background parameters and instrument parameters with refine checked will be
3100varied in this refinement. The refinement will proceed until convergence. We
3101suggest you vary the intensity along with the background first (the default),
3102then vary the position and instrument parameters after. The order will depend
3103on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3104&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3105difference curve displayed in the GSASII Plots window. If individual peaks show
3106peak widths that are widely different, their individual sigma and gamma
3107parameters may be refined. If the refinement results in negative peak
3108coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3109style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3110"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3111style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3112color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3113and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3114
3115<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3116tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3117style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3118normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3119style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3120style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3121cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3122style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3123normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least squares
3124refinement. This can be used in difficult cases to get a refinement started
3125toward convergence.<o:p></o:p></span></span></h5>
3126
3127<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3128tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3129style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3130normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3131style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3132style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3133and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3134style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3135normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3136gamma to those computed from the instrument parameters U, V, W, <span
3137class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3138
3139<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3140tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3141style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3142normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3143style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3144style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3145style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3146color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3147removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3148
3149<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3150style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3151"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3152bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3153</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3154color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3155peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3156near to the top point on a peak, 2) press the left mouse button. The selected
3157peak will be added to the Peak List in its correct sorted order and a blue
3158vertical line will be plotted on that position. Be sure that the Zoom/Pan
3159buttons are not selected on the Plot window. We recommend that you begin
3160picking peaks from the right side of the pattern; that way the tool tip
3161won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3162
3163<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3164style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3165"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3166bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3167</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3168color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3169Peak List item using the mouse on the plot by: 1) position the pointer on the
3170blue line for the peak you wish to move, 2) holding the left mouse button down,
3171drag to the desired position &amp; then release the button. The peak line will
3172be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3173selected on the Plot window.<o:p></o:p></span></span></h5>
3174
3175<p class=MsoListParagraphCxSpFirst 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'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3178</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3179can change individual peak coefficient values. Enter the value then press Enter
3180or Tab or click the mouse elsewhere in the Peak List window. This will set the
3181new value.<o:p></o:p></span></span></p>
3182
3183<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3184style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3185"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3186</span></span></span><![endif]>You can change the refine flags either by
3187clicking on the box or by selecting one and then selecting the column (a single
3188click on the column heading; column should show in blue). Then type
3189&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3190style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3191
3192<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3193style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3194"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3195bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3196</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3197color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3198peaks in the Peak List by selecting rows (should appear in blue) and then
3199pressing the Delete key. You can also delete peaks using the mouse on the plot
3200by positioning the pointer on the blue line for the peak to be deleted and then
3201pressing the right mouse button. The blue line should vanish and the
3202corresponding peak will be removed from the Peak List. Be sure that the
3203Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3204
3205<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3206"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3207"Times New Roman"'><o:p></o:p></span></h4>
3208
3209<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3210window shows the list of peaks that will be used for indexing (see </span><a
3211href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3212Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3213It must be filled before indexing can proceed. When indexing is completed, this
3214display will show the resulting <span class=SpellE>hkl</span> values for every
3215indexed reflection along with the calculated d-spacing (&#8216;d-<span
3216class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3217href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3218Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3219
3220<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3221
3222<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3223style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3224style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3225style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3226style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3227style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3228positions &amp; intensities from the </span><a href="#Peak_List"><span
3229style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3230style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3231the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3232Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3233href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3234Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3235table to the position shown here.<o:p></o:p></span></p>
3236
3237<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3238style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3239style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3240style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3241peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3242
3243<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3244style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3245"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3246"Times New Roman"'><o:p></o:p></span></h4>
3247
3248<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3249window... <o:p></o:p></span></p>
3250
3251<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3252List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3253
3254<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3255window... <o:p></o:p></span></p>
3256
3257<h3>Single Crystal Histograms - HKLF</h3>
3258
3259<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3260Functions - PDF<o:p></o:p></span></h3>
3261
3262<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3263Controls<o:p></o:p></span></h4>
3264
3265<p class=MsoNormal>This window </p>
3266
3267<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3268"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3269<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>
3270
3271<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3272window... <o:p></o:p></span></p>
3273
3274<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3275IMG<o:p></o:p></span></h3>
3276
3277<h4>Image Controls<a name="Image_Controls"></a></h4>
3278
3279<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3280window... <o:p></o:p></span></p>
3281
3282<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3283mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3284style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3285name="Image_Masks"></a><![endif]></h4>
3286
3287<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3288window... <o:p></o:p></span></p>
3289
3290<h3>Phase Windows</h3>
3291
3292<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3293a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3294shown for that selected phase in a tabbed window. Clicking on each tab raises
3295the windows listed below. Each tab is identified by the underlined phrase in
3296the following:<o:p></o:p></span></p>
3297
3298<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3299Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3300
3301<span style='mso-bookmark:General'></span>
3302
3303<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3304gives overall parameters describing the phase such as the name, space group,
3305the unit cell parameters and overall parameters for the atom present in the
3306phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3307
3308<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3309
3310<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3311style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3312style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3313style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3314style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3315shows computations that are possible for this phase.<o:p></o:p></span></p>
3316
3317<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3318auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3319style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3320style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3321style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3322maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3323compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3324
3325<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3326auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3327style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3328style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3329style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3330maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3331search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3332% of the maximum will be found in this procedure; they will be printed on the
3333console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3334page. This page will immediately be shown and the peaks will be shown on the
3335structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3336
3337<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3338style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3339style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3340style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3341of the General page that can be changed are Phase name, Phase type, Space
3342group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3343
3344<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3345auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3346style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3347style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3348style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3349name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3350this is the name assigned to this phase. It should only be changed when the
3351phase is initialized or imported.<u><o:p></o:p></u></span></p>
3352
3353<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3354auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3355style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3356style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3357style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3358type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3359can only be set when there are no atoms in the Atoms page for this phase.
3360Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3361
3362<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3363auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3364style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3365style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3366style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3367group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3368&#8211; this should be set when the phase is initialized; it can be changed later.
3369Be careful about the impact on Atom site symmetry and multiplicity if you do.
3370GSAS-II will recognize any legal space group symbol using the short Hermann-<span
3371class=SpellE>Mauguin</span> forms; put a space between the axial fields (e.g.
3372&#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups with a choice
3373of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where
3374the center of inversion is located at the origin. The choice of space group
3375will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3376
3377<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3378auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3379style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3380style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3381style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3382unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3383&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3384Pawley refinement. The actual parameters refined are the symmetry allowed terms
3385(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3386normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3387"Times New Roman"'><br>
3388</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3389    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3390    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3391    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3392    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3393    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><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>*2</m:r></span></i></m:sup></m:sSup><i
3396  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3397  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><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:sSubPr><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>A</m:r></span></i></m:e><m:sub><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>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3405    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3406    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3407    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3408    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3409    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><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>2</m:r></span></i></m:sup></m:sSup><i
3412  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3413  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><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:sSubPr><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>A</m:r></span></i></m:e><m:sub><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>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3421    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3422    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3423    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3424    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3425    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><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>2</m:r></span></i></m:sup></m:sSup><i
3428  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3429  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><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:sSubPr><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>A</m:r></span></i></m:e><m:sub><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:sub></m:sSub><m:sSup><m:sSupPr><span
3437    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3438    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3439    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3440    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3441    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><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>2</m:r></span></i></m:sup></m:sSup><i
3444  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3445  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3446    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3447    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3448    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3449    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3450    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><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>3</m:r></span></i></m:sub></m:sSub><i
3453  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3454  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
3455    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3456    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3457    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3458    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3459    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><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>4</m:r></span></i></m:sub></m:sSub><i
3462  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3463  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
3464    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3465    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3466    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3467    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3468    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3469    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3470    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3471  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3472  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3473style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3474"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3475mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3476 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3477 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3478</v:shape><![endif]--><![if !vml]><img width=335 height=19
3479src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3480style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3481
3482<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3483auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3484style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3485style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3486class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3487"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3488style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3489style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3490only those permitted by the space group are shown. The volume is computed from
3491the values entered.<u><o:p></o:p></u></span></p>
3492
3493<p class=MsoListParagraphCxSpMiddle 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'>3.<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"'>If there are entries in the
3497Atoms page then the Elements table is shown next on the General page; you may
3498select the isotope (only relevant for neutron diffraction experiments). The
3499density is computed depending on this choice, the unit cell volume and the atom
3500fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3501
3502<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3503style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3504style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3505style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3506shown at the bottom of the General page. A completed Rietveld or Pawley
3507refinement is required before a Fourier map can be computed. Select the desired
3508type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3509
3510<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3511</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3512
3513<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3514
3515<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3516style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3517mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3518line-break'>
3519<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3520<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3521
3522<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3523
3524<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3525
3526<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3527
3528<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3529
3530<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3531
3532<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3533
3534<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3535
3536<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3537
3538<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3539rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3540ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3541menus for this tab; Edit allows modification of the list of atoms to be
3542rendered and Compute gives some options for geometric characterization of
3543selected atoms.</p>
3544
3545<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3546
3547<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3548style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3549style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3550Selection from table: select individual atoms by a left click of the mouse when
3551pointed at the left most column (atom numbers) of the atom display; hold down
3552the Ctrl key to add to your selection; a previously selected atom will be
3553deselected. A selected atom will be highlighted (in grey) and the atom will be
3554shown in green on the plot. Selection without the Ctrl key will clear previous
3555selections. A double left click in the (empty) upper left box will select or
3556deselect all atoms.</p>
3557
3558<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3559style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3560style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3561Selection from plot: select an atom by a left click of the mouse while holding
3562down the Shift key and pointed at the center of the displayed atom, it will
3563turn green if successful and the corresponding entry in the table will be
3564highlighted (in grey); any previous selections will be cleared. To add to .your
3565selection use the right mouse button (Shift down); if a previously selection is
3566reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3567normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3568to select, they may be selected inadvertently. You can rotate the structure
3569anytime during the selection process.</p>
3570
3571<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3572style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3573style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3574left click a Name, Type and Sym Op column heading: a dialog box is shown that
3575allows you to select all atoms with that characteristic. For example, selecting
3576the Type column will show all the atom types; your choice will then cause all
3577those atoms to be selected.</p>
3578
3579<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3580style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3581style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3582left click a Style, Label or Color column: a dialog box is shown that allows
3583you to select a rendering option for all the atoms. For Color a color choice
3584dialog is displayed that covers the entire color spectrum. Choose a color by
3585any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3586select that color in the Custom colors display and then press OK. <b
3587style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3588have the same color and for Style &#8220;blank&#8221; means the atoms
3589aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3590
3591<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3592style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3593style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3594&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3595shows operations that can be performed on your selected atoms. You must select
3596one or more atoms before using any of the menu items.</p>
3597
3598<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3599auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3600style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3601style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3602style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3603style for the selected atoms</p>
3604
3605<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3606auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3607style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3608style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3609style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3610be shown as a label for each atom in selection. The choices are: none, type,
3611name or number.</p>
3612
3613<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3614auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3615style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3616style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3617style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3618the atom; a color choice dialog is displayed that covers the entire color
3619spectrum. Choose a color by any of the means available, press the &#8220;Add to
3620Custom Colors&#8221;, select that color in the Custom colors display and then
3621press OK.</p>
3622
3623<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3624auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3625style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3626style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3627style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3628atom color back to their defaults for the selected atoms.</p>
3629
3630<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3631auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3632style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3633style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3634style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3635view point to the first atom in the selection.</p>
3636
3637<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3638auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3639style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3640style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3641style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3642atoms, new ones are added to the bottom of the list after applying your choice
3643of symmetry operator and unit cell translation selected via a dialog display.
3644Duplicate atom positions are not retained. Any anisotropic thermal displacement
3645parameters (<span class=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'>g.<span
3650style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3651style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3652symmetry operator and unit cell translation to the set of selected atoms; they
3653will be changed in place. Any anisotropic thermal displacement parameters (<span
3654class=SpellE>Uij</span>) will be transformed as appropriate.</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'>h.<span
3659style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3660style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3661currently in the draw atom table, find all atoms that belong in the
3662coordination sphere around the selected atoms via unit cell translations. NB:
3663symmetry operations are not used in this search.</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'>i.<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'>Fill unit
3670cell</b> - using the atoms currently selected from the draw atom table, find
3671all atoms that fall inside or on the edge/surface/corners of the unit cell.
3672This operation is frequently performed before Fill CN-sphere.</p>
3673
3674<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3675auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3676style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3677style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3678</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3679atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3680the Atoms table. You should do this operation after any changes in the Atoms
3681table, e.g. by a structure refinement.</p>
3682
3683<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3684style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3685style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3686&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3687menu gives a choice of geometric calculations to be performed with the selected
3688atoms. You must select the appropriate number of atoms for these to work and
3689the computation is done for the atoms in selection order.</p>
3690
3691<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3692auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3693style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3694style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3695style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3696normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3697a distance, angle or torsion angle will be found for them. The angles are
3698computed for the atoms in their selection order. The torsion angle is a right
3699hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3700estimated standard deviation is given for the calculated value if a current
3701variance-covariance matrix is available. The result is shown on the console
3702window; it may be cut &amp; pasted to another application (e.g. Microsoft
3703Word).</p>
3704
3705<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3706text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3707style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3708style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3709style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3710are selected, a best plane is determined for them. The result is shown on the
3711console window; it may be cut &amp; pasted to another application (e.g.
3712Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3713plane coordinates where the largest range is over the X-axis and the smallest is
3714over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3715center of the selection. Root mean square displacements along each axis for the
3716best plane are also listed. The Z-axis RMS value indicates the flatness of the
3717proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3718(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3719atoms with respect to a coordinate system where the X-axis is along the longest
3720axis of the atom grouping and the Z-axis is along the shortest distance. The
3721origin is at the <span class=SpellE>unweighted</span> center of the selected
3722atoms.</p>
3723
3724<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3725
3726<p class=MsoNormal>This gives the list of reflections used in a Pawley
3727refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3728style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3729style='color:#00B0F0'>.</span></p>
3730
3731<h5>What can I do here?</h5>
3732
3733<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3734style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3735style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3736<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3737
3738<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3739auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3740style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3741style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3742style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3743new set of Pawley reflections, over writing any preexisting Pawley set. They
3744are generated with d-<span class=SpellE>spacings</span> larger than the limit
3745set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3746for this phase. By default the refine flags are not set and the <span
3747class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3748class=SpellE>hkl</span>) = 100.0.</p>
3749
3750<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3751auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3752style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3753style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3754style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3755an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3756class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3757reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3758the <a href="#Data">Data</a> tab.</p>
3759
3760<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3761auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3762style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3763style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3764style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3765set of Pawley reflections.</p>
3766
3767<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3768style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3769style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3770can change the refine flags either by clicking on the box or by selecting one
3771and then selecting the column (a single click on the column heading). Then type
3772&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3773You should deselect those reflections that fall below the lower limit or above
3774the upper limit of the powder pattern otherwise you may have a singular matrix
3775error in your Pawley refinement.</p>
3776
3777<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3778style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3779style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3780can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3781class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3782typing in the new value and then pressing enter or selecting somewhere else in
3783the table.</p>
3784
3785<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3786
3787<h4><a name="Map_peaks">Map peaks</a></h4>
3788
3789<span style='mso-bookmark:Map_peaks'></span>
3790
3791<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3792found within the unit cell from the last Fourier map search sorted in order of decreasing
3793peak magnitude. The crystal structure plot shows each peak position as a white
37943-D cross.</p>
3795
3796<h5>What can I do here?</h5>
3797
3798<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3799style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3800style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3801a peak with a left click on the left hand row number, hold Ctrl key down to add
3802more peaks to your selection. Each peak selected will show as a green 3-D cross
3803on the crystal structure plot.</p>
3804
3805<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3806style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3807style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3808<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3809style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3810
3811<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3812auto;text-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'>a.<span
3814style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3815style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3816peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3817Atoms</a> list. They will be appended to the end of each list each with the
3818name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3819drawn as small white spheres at their respective positions in the structure
3820drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3821change the atom type to whatever element you desire; it will be renamed
3822automatically.</p>
3823
3824<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3825text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3826style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3827style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3828style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3829the peaks in the map peak list; they are also removed from the crystal
3830structure drawing plot.</p>
3831
3832<div class=MsoNormal align=center style='text-align:center'><span
3833style='mso-fareast-font-family:"Times New Roman"'>
3834
3835<hr size=2 width="100%" align=center>
3836
3837</span></div>
3838
3839<div class=MsoNormal align=center style='text-align:center'><span
3840style='mso-fareast-font-family:"Times New Roman"'>
3841
3842<hr size=2 width="100%" align=center>
3843
3844</span></div>
3845
3846<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3847GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3848style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3849style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3850
3851<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3852window presents all the graphical material as a multipage tabbed set of plots
3853utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3854has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3855
3856<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3857mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3858src=graphbar.jpg
3859alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3860style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3861
3862<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3863are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3864
3865<ul type=disc>
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"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3869 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3870     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3871     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3872 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3873     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3874     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3875     of the Back button <o:p></o:p></span></li>
3876 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3877     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3878     "Times New Roman"'>Pan: allows you to control panning across the plot
3879     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3880 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3881     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3882     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3883     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3884 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3885     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3886     "Times New Roman"'>Save: allows you to save the currently displayed plot
3887     in one of several graphical formats suitable for printing or insertion in
3888     a document.<o:p></o:p></span></li>
3889 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3890     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3891     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3892</ul>
3893
3894<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3895
3896<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3897the toolbar may be a status bar that on the left may show either an instruction
3898for a keyed input or a pull down selection of keyed input; on the right may be
3899displayed position dependent information that is updated as the mouse is moved
3900over the plot region.<o:p></o:p></span></p>
3901
3902<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3903
3904<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3905specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3906
3907<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3908
3909<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The powder
3910patterns that are part of your project are shown on this page. They can be
3911displayed as a stack of powder patterns, just a single pattern or as a contour
3912image of the peak intensities. What can be done here will depend on which is
3913displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
3914
3915<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3916
3917<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3918style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3919style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3920style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3921the plot, the plot status line will show the cursor position in 2</span><span
3922style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3923style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3924intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3925Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3926style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3927
3928<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3929style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3930style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3931the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3932press&#8217; </b>&#8211; you can either press the key on the key board or
3933select from the pull down menu. For line plots:</p>
3934
3935<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3936auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3937style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3938style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3939class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3940style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3941plot of multiple powder profiles, increase the offset to the left. Does not
3942apply if only one pattern.</p>
3943
3944<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3945auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3946style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3947style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3948class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3949style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3950of multiple powder profiles, increase the offset to the left. Does not apply if
3951only one pattern.</p>
3952
3953<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3954auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3955style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3956style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3957class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3958style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3959multiple powder profiles, increase the offset down. Does not apply if only one pattern.</p>
3960
3961<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3962auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3963style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3964style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3965class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3966style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3967multiple powder profiles, increase the offset up. Does not apply if only one
3968pattern.</p>
3969
3970<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3971auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3972style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3973style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3974class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3975style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3976of multiple powder profiles, reset to no offset. Does not apply if only one
3977pattern.</p>
3978
3979<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3980auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3981style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3982style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3983class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3984style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3985y-axis to be the log10 of the intensity; difference curve is not shown for
3986log(I) on.</p>
3987
3988<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3989auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3990style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3991style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3992class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
3993style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
3994powder profiles, then a contour plot is shown of the observed intensities. All
3995data sets must be the same length as the first one to be included in the
3996contour plot.</p>
3997
3998<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3999auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4000style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4001style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4002style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4003x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4004style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4005taken at different energies on the same x-axis scale.</p>
4006
4007<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4008auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4009style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4010style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4011</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4012normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4013&#8211; for multiple powder profiles, this will show only the one selected from
4014the data tree. The offset options are not active.</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'>j.<span
4019style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4020</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4021normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4022sig</b> &#8211; for the pattern selected from the data tree, this will divide
4023the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4024for the data points. Other data sets are not shown.</p>
4025
4026<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4027auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4028style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
4029style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4030style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4031profiles, only the observed curve is shown.</p>
4032
4033<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4034style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4035style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4036style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4037line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4038
4039<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4040auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4041style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4042style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4043class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4044"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
4045style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
4046style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
4047level chosen for the highest contour color.<o:p></o:p></span></p>
4048
4049<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4050auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4051style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4052style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4053style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4054raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4055&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4056
4057<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4058auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4059style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4060style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4061class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4062"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
4063style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
4064style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4065method used to represent the contours. If selected a dialog box appears with
4066all the possible choices. Default is &#8216;nearest&#8217;; the other useful
4067choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
4068
4069<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4070auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4071style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4072style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4073class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4074"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
4075style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
4076style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4077color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
4078black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
4079black on white) or &#8216;gray&#8217; (for white on black). Others can be very
4080colorful (but not useful)!<o:p></o:p></span></p>
4081
4082<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4083auto;text-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'>e.<span
4085style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4086class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4087"Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span
4088style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span
4089style='mso-fareast-font-family:"Times New Roman"'> &#8211; this turns off
4090contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
4091
4092<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4093style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
4094style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><