source: trunk/help/gsasII.html @ 588

Last change on this file since 588 was 588, checked in by vondreele, 10 years ago
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>82</o:Revision>
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383        {mso-style-priority:9;
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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-priority:99;
608        color:blue;
609        text-decoration:underline;
610        text-underline:single;}
611a:visited, span.MsoHyperlinkFollowed
612        {mso-style-noshow:yes;
613        mso-style-priority:99;
614        color:purple;
615        text-decoration:underline;
616        text-underline:single;}
617p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
618        {mso-style-noshow:yes;
619        mso-style-priority:99;
620        mso-style-link:"Document Map Char";
621        margin:0in;
622        margin-bottom:.0001pt;
623        mso-pagination:widow-orphan;
624        font-size:8.0pt;
625        font-family:"Tahoma","sans-serif";
626        mso-fareast-font-family:"Times New Roman";
627        mso-fareast-theme-font:minor-fareast;}
628p
629        {mso-style-noshow:yes;
630        mso-style-priority:99;
631        mso-margin-top-alt:auto;
632        margin-right:0in;
633        mso-margin-bottom-alt:auto;
634        margin-left:0in;
635        mso-pagination:widow-orphan;
636        font-size:12.0pt;
637        font-family:"Times New Roman","serif";
638        mso-fareast-font-family:"Times New Roman";
639        mso-fareast-theme-font:minor-fareast;}
640pre
641        {mso-style-noshow:yes;
642        mso-style-priority:99;
643        mso-style-link:"HTML Preformatted Char";
644        margin:0in;
645        margin-bottom:.0001pt;
646        mso-pagination:widow-orphan;
647        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;
648        font-size:10.0pt;
649        font-family:"Courier New";
650        mso-fareast-font-family:"Times New Roman";}
651p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
652        {mso-style-noshow:yes;
653        mso-style-priority:99;
654        mso-style-link:"Balloon Text Char";
655        margin:0in;
656        margin-bottom:.0001pt;
657        mso-pagination:widow-orphan;
658        font-size:8.0pt;
659        font-family:"Tahoma","sans-serif";
660        mso-fareast-font-family:"Times New Roman";
661        mso-fareast-theme-font:minor-fareast;}
662span.MsoPlaceholderText
663        {mso-style-noshow:yes;
664        mso-style-priority:99;
665        mso-style-unhide:no;
666        color:gray;}
667p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
668        {mso-style-noshow:yes;
669        mso-style-priority:1;
670        mso-style-unhide:no;
671        mso-style-qformat:yes;
672        mso-style-parent:"";
673        margin:0in;
674        margin-bottom:.0001pt;
675        mso-pagination:widow-orphan;
676        font-size:12.0pt;
677        font-family:"Times New Roman","serif";
678        mso-fareast-font-family:"Times New Roman";
679        mso-fareast-theme-font:minor-fareast;}
680p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
681        {mso-style-noshow:yes;
682        mso-style-priority:34;
683        mso-style-unhide:no;
684        mso-style-qformat:yes;
685        margin-top:0in;
686        margin-right:0in;
687        margin-bottom:0in;
688        margin-left:.5in;
689        margin-bottom:.0001pt;
690        mso-add-space:auto;
691        mso-pagination:widow-orphan;
692        font-size:12.0pt;
693        font-family:"Times New Roman","serif";
694        mso-fareast-font-family:"Times New Roman";
695        mso-fareast-theme-font:minor-fareast;}
696p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
697        {mso-style-noshow:yes;
698        mso-style-priority:34;
699        mso-style-unhide:no;
700        mso-style-qformat:yes;
701        mso-style-type:export-only;
702        margin-top:0in;
703        margin-right:0in;
704        margin-bottom:0in;
705        margin-left:.5in;
706        margin-bottom:.0001pt;
707        mso-add-space:auto;
708        mso-pagination:widow-orphan;
709        font-size:12.0pt;
710        font-family:"Times New Roman","serif";
711        mso-fareast-font-family:"Times New Roman";
712        mso-fareast-theme-font:minor-fareast;}
713p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
714        {mso-style-noshow:yes;
715        mso-style-priority:34;
716        mso-style-unhide:no;
717        mso-style-qformat:yes;
718        mso-style-type:export-only;
719        margin-top:0in;
720        margin-right:0in;
721        margin-bottom:0in;
722        margin-left:.5in;
723        margin-bottom:.0001pt;
724        mso-add-space:auto;
725        mso-pagination:widow-orphan;
726        font-size:12.0pt;
727        font-family:"Times New Roman","serif";
728        mso-fareast-font-family:"Times New Roman";
729        mso-fareast-theme-font:minor-fareast;}
730p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
731        {mso-style-noshow:yes;
732        mso-style-priority:34;
733        mso-style-unhide:no;
734        mso-style-qformat:yes;
735        mso-style-type:export-only;
736        margin-top:0in;
737        margin-right:0in;
738        margin-bottom:0in;
739        margin-left:.5in;
740        margin-bottom:.0001pt;
741        mso-add-space:auto;
742        mso-pagination:widow-orphan;
743        font-size:12.0pt;
744        font-family:"Times New Roman","serif";
745        mso-fareast-font-family:"Times New Roman";
746        mso-fareast-theme-font:minor-fareast;}
747span.MsoIntenseReference
748        {mso-style-priority:32;
749        mso-style-unhide:no;
750        mso-style-qformat:yes;
751        font-variant:small-caps;
752        color:#C0504D;
753        mso-themecolor:accent2;
754        letter-spacing:.25pt;
755        font-weight:bold;
756        text-decoration:underline;
757        text-underline:single;}
758span.Heading1Char
759        {mso-style-name:"Heading 1 Char";
760        mso-style-priority:9;
761        mso-style-unhide:no;
762        mso-style-locked:yes;
763        mso-style-link:"Heading 1";
764        mso-ansi-font-size:14.0pt;
765        mso-bidi-font-size:14.0pt;
766        font-family:"Cambria","serif";
767        mso-ascii-font-family:Cambria;
768        mso-ascii-theme-font:major-latin;
769        mso-fareast-font-family:"Times New Roman";
770        mso-fareast-theme-font:major-fareast;
771        mso-hansi-font-family:Cambria;
772        mso-hansi-theme-font:major-latin;
773        mso-bidi-font-family:"Times New Roman";
774        mso-bidi-theme-font:major-bidi;
775        color:#365F91;
776        mso-themecolor:accent1;
777        mso-themeshade:191;
778        font-weight:bold;}
779span.Heading2Char
780        {mso-style-name:"Heading 2 Char";
781        mso-style-noshow:yes;
782        mso-style-priority:9;
783        mso-style-unhide:no;
784        mso-style-locked:yes;
785        mso-style-link:"Heading 2";
786        mso-ansi-font-size:13.0pt;
787        mso-bidi-font-size:13.0pt;
788        font-family:"Cambria","serif";
789        mso-ascii-font-family:Cambria;
790        mso-ascii-theme-font:major-latin;
791        mso-fareast-font-family:"Times New Roman";
792        mso-fareast-theme-font:major-fareast;
793        mso-hansi-font-family:Cambria;
794        mso-hansi-theme-font:major-latin;
795        mso-bidi-font-family:"Times New Roman";
796        mso-bidi-theme-font:major-bidi;
797        color:#4F81BD;
798        mso-themecolor:accent1;
799        font-weight:bold;}
800span.Heading3Char
801        {mso-style-name:"Heading 3 Char";
802        mso-style-noshow:yes;
803        mso-style-priority:9;
804        mso-style-unhide:no;
805        mso-style-locked:yes;
806        mso-style-link:"Heading 3";
807        mso-ansi-font-size:12.0pt;
808        mso-bidi-font-size:12.0pt;
809        font-family:"Cambria","serif";
810        mso-ascii-font-family:Cambria;
811        mso-ascii-theme-font:major-latin;
812        mso-fareast-font-family:"Times New Roman";
813        mso-fareast-theme-font:major-fareast;
814        mso-hansi-font-family:Cambria;
815        mso-hansi-theme-font:major-latin;
816        mso-bidi-font-family:"Times New Roman";
817        mso-bidi-theme-font:major-bidi;
818        color:#4F81BD;
819        mso-themecolor:accent1;
820        font-weight:bold;}
821span.Heading4Char
822        {mso-style-name:"Heading 4 Char";
823        mso-style-noshow:yes;
824        mso-style-priority:9;
825        mso-style-unhide:no;
826        mso-style-locked:yes;
827        mso-style-link:"Heading 4";
828        mso-ansi-font-size:12.0pt;
829        mso-bidi-font-size:12.0pt;
830        font-family:"Cambria","serif";
831        mso-ascii-font-family:Cambria;
832        mso-ascii-theme-font:major-latin;
833        mso-fareast-font-family:"Times New Roman";
834        mso-fareast-theme-font:major-fareast;
835        mso-hansi-font-family:Cambria;
836        mso-hansi-theme-font:major-latin;
837        mso-bidi-font-family:"Times New Roman";
838        mso-bidi-theme-font:major-bidi;
839        color:#4F81BD;
840        mso-themecolor:accent1;
841        font-weight:bold;
842        font-style:italic;}
843span.Heading5Char
844        {mso-style-name:"Heading 5 Char";
845        mso-style-noshow:yes;
846        mso-style-priority:9;
847        mso-style-unhide:no;
848        mso-style-locked:yes;
849        mso-style-link:"Heading 5";
850        mso-ansi-font-size:12.0pt;
851        mso-bidi-font-size:12.0pt;
852        font-family:"Cambria","serif";
853        mso-ascii-font-family:Cambria;
854        mso-ascii-theme-font:major-latin;
855        mso-fareast-font-family:"Times New Roman";
856        mso-fareast-theme-font:major-fareast;
857        mso-hansi-font-family:Cambria;
858        mso-hansi-theme-font:major-latin;
859        mso-bidi-font-family:"Times New Roman";
860        mso-bidi-theme-font:major-bidi;
861        color:#243F60;
862        mso-themecolor:accent1;
863        mso-themeshade:127;}
864span.HTMLPreformattedChar
865        {mso-style-name:"HTML Preformatted Char";
866        mso-style-noshow:yes;
867        mso-style-priority:99;
868        mso-style-unhide:no;
869        mso-style-locked:yes;
870        mso-style-link:"HTML Preformatted";
871        font-family:"Courier New";
872        mso-ascii-font-family:"Courier New";
873        mso-hansi-font-family:"Courier New";
874        mso-bidi-font-family:"Courier New";}
875span.TitleChar
876        {mso-style-name:"Title Char";
877        mso-style-priority:10;
878        mso-style-unhide:no;
879        mso-style-locked:yes;
880        mso-style-link:Title;
881        mso-ansi-font-size:26.0pt;
882        mso-bidi-font-size:26.0pt;
883        font-family:"Cambria","serif";
884        mso-ascii-font-family:Cambria;
885        mso-ascii-theme-font:major-latin;
886        mso-fareast-font-family:"Times New Roman";
887        mso-fareast-theme-font:major-fareast;
888        mso-hansi-font-family:Cambria;
889        mso-hansi-theme-font:major-latin;
890        mso-bidi-font-family:"Times New Roman";
891        mso-bidi-theme-font:major-bidi;
892        color:#17365D;
893        mso-themecolor:text2;
894        mso-themeshade:191;
895        letter-spacing:.25pt;
896        mso-font-kerning:14.0pt;}
897span.DocumentMapChar
898        {mso-style-name:"Document Map Char";
899        mso-style-noshow:yes;
900        mso-style-priority:99;
901        mso-style-unhide:no;
902        mso-style-locked:yes;
903        mso-style-link:"Document Map";
904        mso-ansi-font-size:8.0pt;
905        mso-bidi-font-size:8.0pt;
906        font-family:"Tahoma","sans-serif";
907        mso-ascii-font-family:Tahoma;
908        mso-fareast-font-family:"Times New Roman";
909        mso-fareast-theme-font:minor-fareast;
910        mso-hansi-font-family:Tahoma;
911        mso-bidi-font-family:Tahoma;}
912span.BalloonTextChar
913        {mso-style-name:"Balloon Text Char";
914        mso-style-noshow:yes;
915        mso-style-priority:99;
916        mso-style-unhide:no;
917        mso-style-locked:yes;
918        mso-style-link:"Balloon Text";
919        mso-ansi-font-size:8.0pt;
920        mso-bidi-font-size:8.0pt;
921        font-family:"Tahoma","sans-serif";
922        mso-ascii-font-family:Tahoma;
923        mso-fareast-font-family:"Times New Roman";
924        mso-fareast-theme-font:minor-fareast;
925        mso-hansi-font-family:Tahoma;
926        mso-bidi-font-family:Tahoma;}
927span.SpellE
928        {mso-style-name:"";
929        mso-spl-e:yes;}
930span.GramE
931        {mso-style-name:"";
932        mso-gram-e:yes;}
933.MsoChpDefault
934        {mso-style-type:export-only;
935        mso-default-props:yes;
936        font-size:10.0pt;
937        mso-ansi-font-size:10.0pt;
938        mso-bidi-font-size:10.0pt;}
939@page WordSection1
940        {size:8.5in 11.0in;
941        margin:1.0in 1.0in 1.0in 1.0in;
942        mso-header-margin:.5in;
943        mso-footer-margin:.5in;
944        mso-paper-source:0;}
945div.WordSection1
946        {page:WordSection1;}
947 /* List Definitions */
948 @list l0
949        {mso-list-id:142163818;
950        mso-list-type:hybrid;
951        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
952@list l0:level1
953        {mso-level-tab-stop:none;
954        mso-level-number-position:left;
955        text-indent:-.25in;}
956@list l0:level2
957        {mso-level-number-format:alpha-lower;
958        mso-level-tab-stop:none;
959        mso-level-number-position:left;
960        text-indent:-.25in;}
961@list l0:level3
962        {mso-level-number-format:roman-lower;
963        mso-level-tab-stop:none;
964        mso-level-number-position:right;
965        text-indent:-9.0pt;}
966@list l0:level4
967        {mso-level-tab-stop:2.0in;
968        mso-level-number-position:left;
969        text-indent:-.25in;}
970@list l0:level5
971        {mso-level-tab-stop:2.5in;
972        mso-level-number-position:left;
973        text-indent:-.25in;}
974@list l0:level6
975        {mso-level-tab-stop:3.0in;
976        mso-level-number-position:left;
977        text-indent:-.25in;}
978@list l0:level7
979        {mso-level-tab-stop:3.5in;
980        mso-level-number-position:left;
981        text-indent:-.25in;}
982@list l0:level8
983        {mso-level-tab-stop:4.0in;
984        mso-level-number-position:left;
985        text-indent:-.25in;}
986@list l0:level9
987        {mso-level-tab-stop:4.5in;
988        mso-level-number-position:left;
989        text-indent:-.25in;}
990@list l1
991        {mso-list-id:203979460;
992        mso-list-template-ids:88359672;}
993@list l1:level1
994        {mso-level-number-format:bullet;
995        mso-level-text:\F0B7;
996        mso-level-tab-stop:.5in;
997        mso-level-number-position:left;
998        text-indent:-.25in;
999        mso-ansi-font-size:10.0pt;
1000        font-family:Symbol;}
1001@list l1:level2
1002        {mso-level-tab-stop:1.0in;
1003        mso-level-number-position:left;
1004        text-indent:-.25in;}
1005@list l1:level3
1006        {mso-level-tab-stop:1.5in;
1007        mso-level-number-position:left;
1008        text-indent:-.25in;}
1009@list l1:level4
1010        {mso-level-tab-stop:2.0in;
1011        mso-level-number-position:left;
1012        text-indent:-.25in;}
1013@list l1:level5
1014        {mso-level-tab-stop:2.5in;
1015        mso-level-number-position:left;
1016        text-indent:-.25in;}
1017@list l1:level6
1018        {mso-level-tab-stop:3.0in;
1019        mso-level-number-position:left;
1020        text-indent:-.25in;}
1021@list l1:level7
1022        {mso-level-tab-stop:3.5in;
1023        mso-level-number-position:left;
1024        text-indent:-.25in;}
1025@list l1:level8
1026        {mso-level-tab-stop:4.0in;
1027        mso-level-number-position:left;
1028        text-indent:-.25in;}
1029@list l1:level9
1030        {mso-level-tab-stop:4.5in;
1031        mso-level-number-position:left;
1032        text-indent:-.25in;}
1033@list l2
1034        {mso-list-id:268514595;
1035        mso-list-type:hybrid;
1036        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1037@list l2:level1
1038        {mso-level-number-format:alpha-lower;
1039        mso-level-tab-stop:none;
1040        mso-level-number-position:left;
1041        margin-left:1.0in;
1042        text-indent:-.25in;
1043        mso-ansi-font-weight:normal;}
1044@list l2:level2
1045        {mso-level-tab-stop:1.0in;
1046        mso-level-number-position:left;
1047        text-indent:-.25in;}
1048@list l2:level3
1049        {mso-level-tab-stop:112.5pt;
1050        mso-level-number-position:left;
1051        margin-left:112.5pt;
1052        text-indent:-.25in;}
1053@list l2:level4
1054        {mso-level-tab-stop:2.0in;
1055        mso-level-number-position:left;
1056        text-indent:-.25in;}
1057@list l2:level5
1058        {mso-level-tab-stop:2.5in;
1059        mso-level-number-position:left;
1060        text-indent:-.25in;}
1061@list l2:level6
1062        {mso-level-tab-stop:3.0in;
1063        mso-level-number-position:left;
1064        text-indent:-.25in;}
1065@list l2:level7
1066        {mso-level-tab-stop:3.5in;
1067        mso-level-number-position:left;
1068        text-indent:-.25in;}
1069@list l2:level8
1070        {mso-level-tab-stop:4.0in;
1071        mso-level-number-position:left;
1072        text-indent:-.25in;}
1073@list l2:level9
1074        {mso-level-tab-stop:4.5in;
1075        mso-level-number-position:left;
1076        text-indent:-.25in;}
1077@list l3
1078        {mso-list-id:301277244;
1079        mso-list-template-ids:-445226636;}
1080@list l3:level1
1081        {mso-level-tab-stop:none;
1082        mso-level-number-position:left;
1083        text-indent:-.25in;}
1084@list l3:level2
1085        {mso-level-number-format:alpha-lower;
1086        mso-level-tab-stop:1.0in;
1087        mso-level-number-position:left;
1088        text-indent:-.25in;}
1089@list l3:level3
1090        {mso-level-tab-stop:1.5in;
1091        mso-level-number-position:left;
1092        text-indent:-.25in;}
1093@list l3:level4
1094        {mso-level-number-format:alpha-lower;
1095        mso-level-tab-stop:2.0in;
1096        mso-level-number-position:left;
1097        text-indent:-.25in;}
1098@list l3:level5
1099        {mso-level-tab-stop:2.5in;
1100        mso-level-number-position:left;
1101        text-indent:-.25in;}
1102@list l3:level6
1103        {mso-level-tab-stop:3.0in;
1104        mso-level-number-position:left;
1105        text-indent:-.25in;}
1106@list l3:level7
1107        {mso-level-tab-stop:3.5in;
1108        mso-level-number-position:left;
1109        text-indent:-.25in;}
1110@list l3:level8
1111        {mso-level-tab-stop:4.0in;
1112        mso-level-number-position:left;
1113        text-indent:-.25in;}
1114@list l3:level9
1115        {mso-level-tab-stop:4.5in;
1116        mso-level-number-position:left;
1117        text-indent:-.25in;}
1118@list l4
1119        {mso-list-id:424421782;
1120        mso-list-template-ids:-445226636;}
1121@list l4:level1
1122        {mso-level-tab-stop:none;
1123        mso-level-number-position:left;
1124        text-indent:-.25in;}
1125@list l4:level2
1126        {mso-level-number-format:alpha-lower;
1127        mso-level-tab-stop:1.0in;
1128        mso-level-number-position:left;
1129        text-indent:-.25in;}
1130@list l4:level3
1131        {mso-level-tab-stop:1.5in;
1132        mso-level-number-position:left;
1133        text-indent:-.25in;}
1134@list l4:level4
1135        {mso-level-number-format:alpha-lower;
1136        mso-level-tab-stop:2.0in;
1137        mso-level-number-position:left;
1138        text-indent:-.25in;}
1139@list l4:level5
1140        {mso-level-tab-stop:2.5in;
1141        mso-level-number-position:left;
1142        text-indent:-.25in;}
1143@list l4:level6
1144        {mso-level-tab-stop:3.0in;
1145        mso-level-number-position:left;
1146        text-indent:-.25in;}
1147@list l4:level7
1148        {mso-level-tab-stop:3.5in;
1149        mso-level-number-position:left;
1150        text-indent:-.25in;}
1151@list l4:level8
1152        {mso-level-tab-stop:4.0in;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l4:level9
1156        {mso-level-tab-stop:4.5in;
1157        mso-level-number-position:left;
1158        text-indent:-.25in;}
1159@list l5
1160        {mso-list-id:617220658;
1161        mso-list-type:hybrid;
1162        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1163@list l5:level1
1164        {mso-level-tab-stop:none;
1165        mso-level-number-position:left;
1166        text-indent:-.25in;}
1167@list l5:level2
1168        {mso-level-tab-stop:1.0in;
1169        mso-level-number-position:left;
1170        text-indent:-.25in;}
1171@list l5:level3
1172        {mso-level-tab-stop:1.5in;
1173        mso-level-number-position:left;
1174        text-indent:-.25in;}
1175@list l5:level4
1176        {mso-level-tab-stop:2.0in;
1177        mso-level-number-position:left;
1178        text-indent:-.25in;}
1179@list l5:level5
1180        {mso-level-tab-stop:2.5in;
1181        mso-level-number-position:left;
1182        text-indent:-.25in;}
1183@list l5:level6
1184        {mso-level-tab-stop:3.0in;
1185        mso-level-number-position:left;
1186        text-indent:-.25in;}
1187@list l5:level7
1188        {mso-level-tab-stop:3.5in;
1189        mso-level-number-position:left;
1190        text-indent:-.25in;}
1191@list l5:level8
1192        {mso-level-tab-stop:4.0in;
1193        mso-level-number-position:left;
1194        text-indent:-.25in;}
1195@list l5:level9
1196        {mso-level-tab-stop:4.5in;
1197        mso-level-number-position:left;
1198        text-indent:-.25in;}
1199@list l6
1200        {mso-list-id:649361966;
1201        mso-list-template-ids:326264828;}
1202@list l6:level1
1203        {mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        text-indent:-.25in;}
1206@list l6:level2
1207        {mso-level-number-format:alpha-lower;
1208        mso-level-tab-stop:1.0in;
1209        mso-level-number-position:left;
1210        text-indent:-.25in;
1211        mso-ansi-font-size:12.0pt;
1212        font-family:"Times New Roman","serif";
1213        mso-ansi-font-weight:normal;
1214        mso-ansi-font-style:normal;}
1215@list l6:level3
1216        {mso-level-tab-stop:1.5in;
1217        mso-level-number-position:left;
1218        text-indent:-.25in;}
1219@list l6:level4
1220        {mso-level-number-format:alpha-lower;
1221        mso-level-tab-stop:2.0in;
1222        mso-level-number-position:left;
1223        text-indent:-.25in;}
1224@list l6:level5
1225        {mso-level-tab-stop:2.5in;
1226        mso-level-number-position:left;
1227        text-indent:-.25in;}
1228@list l6:level6
1229        {mso-level-tab-stop:3.0in;
1230        mso-level-number-position:left;
1231        text-indent:-.25in;}
1232@list l6:level7
1233        {mso-level-tab-stop:3.5in;
1234        mso-level-number-position:left;
1235        text-indent:-.25in;}
1236@list l6:level8
1237        {mso-level-tab-stop:4.0in;
1238        mso-level-number-position:left;
1239        text-indent:-.25in;}
1240@list l6:level9
1241        {mso-level-tab-stop:4.5in;
1242        mso-level-number-position:left;
1243        text-indent:-.25in;}
1244@list l7
1245        {mso-list-id:656106218;
1246        mso-list-type:hybrid;
1247        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1248@list l7:level1
1249        {mso-level-tab-stop:none;
1250        mso-level-number-position:left;
1251        text-indent:-.25in;}
1252@list l7:level2
1253        {mso-level-tab-stop:1.0in;
1254        mso-level-number-position:left;
1255        text-indent:-.25in;}
1256@list l7:level3
1257        {mso-level-tab-stop:1.5in;
1258        mso-level-number-position:left;
1259        text-indent:-.25in;}
1260@list l7:level4
1261        {mso-level-tab-stop:2.0in;
1262        mso-level-number-position:left;
1263        text-indent:-.25in;}
1264@list l7:level5
1265        {mso-level-tab-stop:2.5in;
1266        mso-level-number-position:left;
1267        text-indent:-.25in;}
1268@list l7:level6
1269        {mso-level-tab-stop:3.0in;
1270        mso-level-number-position:left;
1271        text-indent:-.25in;}
1272@list l7:level7
1273        {mso-level-tab-stop:3.5in;
1274        mso-level-number-position:left;
1275        text-indent:-.25in;}
1276@list l7:level8
1277        {mso-level-tab-stop:4.0in;
1278        mso-level-number-position:left;
1279        text-indent:-.25in;}
1280@list l7:level9
1281        {mso-level-tab-stop:4.5in;
1282        mso-level-number-position:left;
1283        text-indent:-.25in;}
1284@list l8
1285        {mso-list-id:734669460;
1286        mso-list-type:hybrid;
1287        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1288@list l8:level1
1289        {mso-level-tab-stop:none;
1290        mso-level-number-position:left;
1291        text-indent:-.25in;}
1292@list l8:level2
1293        {mso-level-tab-stop:1.0in;
1294        mso-level-number-position:left;
1295        text-indent:-.25in;}
1296@list l8:level3
1297        {mso-level-tab-stop:1.5in;
1298        mso-level-number-position:left;
1299        text-indent:-.25in;}
1300@list l8:level4
1301        {mso-level-tab-stop:2.0in;
1302        mso-level-number-position:left;
1303        text-indent:-.25in;}
1304@list l8:level5
1305        {mso-level-tab-stop:2.5in;
1306        mso-level-number-position:left;
1307        text-indent:-.25in;}
1308@list l8:level6
1309        {mso-level-tab-stop:3.0in;
1310        mso-level-number-position:left;
1311        text-indent:-.25in;}
1312@list l8:level7
1313        {mso-level-tab-stop:3.5in;
1314        mso-level-number-position:left;
1315        text-indent:-.25in;}
1316@list l8:level8
1317        {mso-level-tab-stop:4.0in;
1318        mso-level-number-position:left;
1319        text-indent:-.25in;}
1320@list l8:level9
1321        {mso-level-tab-stop:4.5in;
1322        mso-level-number-position:left;
1323        text-indent:-.25in;}
1324@list l9
1325        {mso-list-id:742676264;
1326        mso-list-template-ids:326264828;}
1327@list l9:level1
1328        {mso-level-tab-stop:none;
1329        mso-level-number-position:left;
1330        text-indent:-.25in;}
1331@list l9:level2
1332        {mso-level-number-format:alpha-lower;
1333        mso-level-tab-stop:1.0in;
1334        mso-level-number-position:left;
1335        text-indent:-.25in;
1336        mso-ansi-font-size:12.0pt;
1337        font-family:"Times New Roman","serif";
1338        mso-ansi-font-weight:normal;
1339        mso-ansi-font-style:normal;}
1340@list l9:level3
1341        {mso-level-tab-stop:1.5in;
1342        mso-level-number-position:left;
1343        text-indent:-.25in;}
1344@list l9:level4
1345        {mso-level-number-format:alpha-lower;
1346        mso-level-tab-stop:2.0in;
1347        mso-level-number-position:left;
1348        text-indent:-.25in;}
1349@list l9:level5
1350        {mso-level-tab-stop:2.5in;
1351        mso-level-number-position:left;
1352        text-indent:-.25in;}
1353@list l9:level6
1354        {mso-level-tab-stop:3.0in;
1355        mso-level-number-position:left;
1356        text-indent:-.25in;}
1357@list l9:level7
1358        {mso-level-tab-stop:3.5in;
1359        mso-level-number-position:left;
1360        text-indent:-.25in;}
1361@list l9:level8
1362        {mso-level-tab-stop:4.0in;
1363        mso-level-number-position:left;
1364        text-indent:-.25in;}
1365@list l9:level9
1366        {mso-level-tab-stop:4.5in;
1367        mso-level-number-position:left;
1368        text-indent:-.25in;}
1369@list l10
1370        {mso-list-id:919948450;
1371        mso-list-type:hybrid;
1372        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1373@list l10:level1
1374        {mso-level-tab-stop:none;
1375        mso-level-number-position:left;
1376        text-indent:-.25in;}
1377@list l10:level2
1378        {mso-level-tab-stop:1.0in;
1379        mso-level-number-position:left;
1380        text-indent:-.25in;}
1381@list l10:level3
1382        {mso-level-tab-stop:1.5in;
1383        mso-level-number-position:left;
1384        text-indent:-.25in;}
1385@list l10:level4
1386        {mso-level-tab-stop:2.0in;
1387        mso-level-number-position:left;
1388        text-indent:-.25in;}
1389@list l10:level5
1390        {mso-level-tab-stop:2.5in;
1391        mso-level-number-position:left;
1392        text-indent:-.25in;}
1393@list l10:level6
1394        {mso-level-tab-stop:3.0in;
1395        mso-level-number-position:left;
1396        text-indent:-.25in;}
1397@list l10:level7
1398        {mso-level-tab-stop:3.5in;
1399        mso-level-number-position:left;
1400        text-indent:-.25in;}
1401@list l10:level8
1402        {mso-level-tab-stop:4.0in;
1403        mso-level-number-position:left;
1404        text-indent:-.25in;}
1405@list l10:level9
1406        {mso-level-tab-stop:4.5in;
1407        mso-level-number-position:left;
1408        text-indent:-.25in;}
1409@list l11
1410        {mso-list-id:1035230400;
1411        mso-list-type:hybrid;
1412        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1413@list l11:level1
1414        {mso-level-tab-stop:none;
1415        mso-level-number-position:left;
1416        text-indent:-.25in;}
1417@list l11:level2
1418        {mso-level-number-format:alpha-lower;
1419        mso-level-tab-stop:none;
1420        mso-level-number-position:left;
1421        text-indent:-.25in;}
1422@list l11:level3
1423        {mso-level-tab-stop:1.5in;
1424        mso-level-number-position:left;
1425        text-indent:-.25in;}
1426@list l11:level4
1427        {mso-level-tab-stop:2.0in;
1428        mso-level-number-position:left;
1429        text-indent:-.25in;}
1430@list l11:level5
1431        {mso-level-tab-stop:2.5in;
1432        mso-level-number-position:left;
1433        text-indent:-.25in;}
1434@list l11:level6
1435        {mso-level-tab-stop:3.0in;
1436        mso-level-number-position:left;
1437        text-indent:-.25in;}
1438@list l11:level7
1439        {mso-level-tab-stop:3.5in;
1440        mso-level-number-position:left;
1441        text-indent:-.25in;}
1442@list l11:level8
1443        {mso-level-tab-stop:4.0in;
1444        mso-level-number-position:left;
1445        text-indent:-.25in;}
1446@list l11:level9
1447        {mso-level-tab-stop:4.5in;
1448        mso-level-number-position:left;
1449        text-indent:-.25in;}
1450@list l12
1451        {mso-list-id:1074664733;
1452        mso-list-type:hybrid;
1453        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1454@list l12:level1
1455        {mso-level-number-format:alpha-lower;
1456        mso-level-tab-stop:none;
1457        mso-level-number-position:left;
1458        margin-left:1.0in;
1459        text-indent:-.25in;
1460        mso-ansi-font-weight:normal;}
1461@list l12:level2
1462        {mso-level-number-format:alpha-lower;
1463        mso-level-tab-stop:none;
1464        mso-level-number-position:left;
1465        text-indent:-.25in;}
1466@list l12:level3
1467        {mso-level-tab-stop:1.5in;
1468        mso-level-number-position:left;
1469        text-indent:-.25in;}
1470@list l12:level4
1471        {mso-level-tab-stop:2.0in;
1472        mso-level-number-position:left;
1473        text-indent:-.25in;}
1474@list l12:level5
1475        {mso-level-tab-stop:2.5in;
1476        mso-level-number-position:left;
1477        text-indent:-.25in;}
1478@list l12:level6
1479        {mso-level-tab-stop:3.0in;
1480        mso-level-number-position:left;
1481        text-indent:-.25in;}
1482@list l12:level7
1483        {mso-level-tab-stop:3.5in;
1484        mso-level-number-position:left;
1485        text-indent:-.25in;}
1486@list l12:level8
1487        {mso-level-tab-stop:4.0in;
1488        mso-level-number-position:left;
1489        text-indent:-.25in;}
1490@list l12:level9
1491        {mso-level-tab-stop:4.5in;
1492        mso-level-number-position:left;
1493        text-indent:-.25in;}
1494@list l13
1495        {mso-list-id:1162892763;
1496        mso-list-type:hybrid;
1497        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1498@list l13:level1
1499        {mso-level-number-format:alpha-lower;
1500        mso-level-tab-stop:none;
1501        mso-level-number-position:left;
1502        margin-left:1.0in;
1503        text-indent:-.25in;}
1504@list l13:level2
1505        {mso-level-tab-stop:1.0in;
1506        mso-level-number-position:left;
1507        text-indent:-.25in;}
1508@list l13:level3
1509        {mso-level-tab-stop:1.5in;
1510        mso-level-number-position:left;
1511        text-indent:-.25in;}
1512@list l13:level4
1513        {mso-level-tab-stop:2.0in;
1514        mso-level-number-position:left;
1515        text-indent:-.25in;}
1516@list l13:level5
1517        {mso-level-tab-stop:2.5in;
1518        mso-level-number-position:left;
1519        text-indent:-.25in;}
1520@list l13:level6
1521        {mso-level-tab-stop:3.0in;
1522        mso-level-number-position:left;
1523        text-indent:-.25in;}
1524@list l13:level7
1525        {mso-level-tab-stop:3.5in;
1526        mso-level-number-position:left;
1527        text-indent:-.25in;}
1528@list l13:level8
1529        {mso-level-tab-stop:4.0in;
1530        mso-level-number-position:left;
1531        text-indent:-.25in;}
1532@list l13:level9
1533        {mso-level-tab-stop:4.5in;
1534        mso-level-number-position:left;
1535        text-indent:-.25in;}
1536@list l14
1537        {mso-list-id:1323200535;
1538        mso-list-type:hybrid;
1539        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1540@list l14:level1
1541        {mso-level-number-format:alpha-lower;
1542        mso-level-tab-stop:none;
1543        mso-level-number-position:left;
1544        margin-left:1.0in;
1545        text-indent:-.25in;}
1546@list l14:level2
1547        {mso-level-tab-stop:1.0in;
1548        mso-level-number-position:left;
1549        text-indent:-.25in;}
1550@list l14:level3
1551        {mso-level-tab-stop:1.5in;
1552        mso-level-number-position:left;
1553        text-indent:-.25in;}
1554@list l14:level4
1555        {mso-level-tab-stop:2.0in;
1556        mso-level-number-position:left;
1557        text-indent:-.25in;}
1558@list l14:level5
1559        {mso-level-tab-stop:2.5in;
1560        mso-level-number-position:left;
1561        text-indent:-.25in;}
1562@list l14:level6
1563        {mso-level-tab-stop:3.0in;
1564        mso-level-number-position:left;
1565        text-indent:-.25in;}
1566@list l14:level7
1567        {mso-level-tab-stop:3.5in;
1568        mso-level-number-position:left;
1569        text-indent:-.25in;}
1570@list l14:level8
1571        {mso-level-tab-stop:4.0in;
1572        mso-level-number-position:left;
1573        text-indent:-.25in;}
1574@list l14:level9
1575        {mso-level-tab-stop:4.5in;
1576        mso-level-number-position:left;
1577        text-indent:-.25in;}
1578@list l15
1579        {mso-list-id:1326516832;
1580        mso-list-type:hybrid;
1581        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1582@list l15:level1
1583        {mso-level-tab-stop:none;
1584        mso-level-number-position:left;
1585        text-indent:-.25in;}
1586@list l15:level2
1587        {mso-level-tab-stop:1.0in;
1588        mso-level-number-position:left;
1589        text-indent:-.25in;}
1590@list l15:level3
1591        {mso-level-tab-stop:1.5in;
1592        mso-level-number-position:left;
1593        text-indent:-.25in;}
1594@list l15:level4
1595        {mso-level-tab-stop:2.0in;
1596        mso-level-number-position:left;
1597        text-indent:-.25in;}
1598@list l15:level5
1599        {mso-level-tab-stop:2.5in;
1600        mso-level-number-position:left;
1601        text-indent:-.25in;}
1602@list l15:level6
1603        {mso-level-tab-stop:3.0in;
1604        mso-level-number-position:left;
1605        text-indent:-.25in;}
1606@list l15:level7
1607        {mso-level-tab-stop:3.5in;
1608        mso-level-number-position:left;
1609        text-indent:-.25in;}
1610@list l15:level8
1611        {mso-level-tab-stop:4.0in;
1612        mso-level-number-position:left;
1613        text-indent:-.25in;}
1614@list l15:level9
1615        {mso-level-tab-stop:4.5in;
1616        mso-level-number-position:left;
1617        text-indent:-.25in;}
1618@list l16
1619        {mso-list-id:1394309879;
1620        mso-list-template-ids:326264828;}
1621@list l16:level1
1622        {mso-level-tab-stop:none;
1623        mso-level-number-position:left;
1624        text-indent:-.25in;}
1625@list l16:level2
1626        {mso-level-number-format:alpha-lower;
1627        mso-level-tab-stop:1.0in;
1628        mso-level-number-position:left;
1629        text-indent:-.25in;
1630        mso-ansi-font-size:12.0pt;
1631        font-family:"Times New Roman","serif";
1632        mso-ansi-font-weight:normal;
1633        mso-ansi-font-style:normal;}
1634@list l16:level3
1635        {mso-level-tab-stop:1.5in;
1636        mso-level-number-position:left;
1637        text-indent:-.25in;}
1638@list l16:level4
1639        {mso-level-number-format:alpha-lower;
1640        mso-level-tab-stop:2.0in;
1641        mso-level-number-position:left;
1642        text-indent:-.25in;}
1643@list l16:level5
1644        {mso-level-tab-stop:2.5in;
1645        mso-level-number-position:left;
1646        text-indent:-.25in;}
1647@list l16:level6
1648        {mso-level-tab-stop:3.0in;
1649        mso-level-number-position:left;
1650        text-indent:-.25in;}
1651@list l16:level7
1652        {mso-level-tab-stop:3.5in;
1653        mso-level-number-position:left;
1654        text-indent:-.25in;}
1655@list l16:level8
1656        {mso-level-tab-stop:4.0in;
1657        mso-level-number-position:left;
1658        text-indent:-.25in;}
1659@list l16:level9
1660        {mso-level-tab-stop:4.5in;
1661        mso-level-number-position:left;
1662        text-indent:-.25in;}
1663@list l17
1664        {mso-list-id:1602683002;
1665        mso-list-type:hybrid;
1666        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1667@list l17:level1
1668        {mso-level-tab-stop:none;
1669        mso-level-number-position:left;
1670        text-indent:-.25in;}
1671@list l17:level2
1672        {mso-level-number-format:alpha-lower;
1673        mso-level-tab-stop:none;
1674        mso-level-number-position:left;
1675        text-indent:-.25in;}
1676@list l17:level3
1677        {mso-level-tab-stop:1.5in;
1678        mso-level-number-position:left;
1679        text-indent:-.25in;}
1680@list l17:level4
1681        {mso-level-tab-stop:2.0in;
1682        mso-level-number-position:left;
1683        text-indent:-.25in;}
1684@list l17:level5
1685        {mso-level-tab-stop:2.5in;
1686        mso-level-number-position:left;
1687        text-indent:-.25in;}
1688@list l17:level6
1689        {mso-level-tab-stop:3.0in;
1690        mso-level-number-position:left;
1691        text-indent:-.25in;}
1692@list l17:level7
1693        {mso-level-tab-stop:3.5in;
1694        mso-level-number-position:left;
1695        text-indent:-.25in;}
1696@list l17:level8
1697        {mso-level-tab-stop:4.0in;
1698        mso-level-number-position:left;
1699        text-indent:-.25in;}
1700@list l17:level9
1701        {mso-level-tab-stop:4.5in;
1702        mso-level-number-position:left;
1703        text-indent:-.25in;}
1704@list l18
1705        {mso-list-id:1669404025;
1706        mso-list-type:hybrid;
1707        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1708@list l18:level1
1709        {mso-level-number-format:alpha-lower;
1710        mso-level-tab-stop:none;
1711        mso-level-number-position:left;
1712        margin-left:1.0in;
1713        text-indent:-.25in;
1714        mso-ansi-font-weight:normal;}
1715@list l18:level2
1716        {mso-level-tab-stop:1.0in;
1717        mso-level-number-position:left;
1718        text-indent:-.25in;}
1719@list l18:level3
1720        {mso-level-tab-stop:112.5pt;
1721        mso-level-number-position:left;
1722        margin-left:112.5pt;
1723        text-indent:-.25in;}
1724@list l18:level4
1725        {mso-level-tab-stop:2.0in;
1726        mso-level-number-position:left;
1727        text-indent:-.25in;}
1728@list l18:level5
1729        {mso-level-tab-stop:2.5in;
1730        mso-level-number-position:left;
1731        text-indent:-.25in;}
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1907ol
1908        {margin-bottom:0in;}
1909ul
1910        {margin-bottom:0in;}
1911-->
1912</style>
1913<!--[if gte mso 10]>
1914<style>
1915 /* Style Definitions */
1916 table.MsoNormalTable
1917        {mso-style-name:"Table Normal";
1918        mso-tstyle-rowband-size:0;
1919        mso-tstyle-colband-size:0;
1920        mso-style-noshow:yes;
1921        mso-style-priority:99;
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1926        mso-pagination:widow-orphan;
1927        font-size:10.0pt;
1928        font-family:"Times New Roman","serif";}
1929</style>
1930<![endif]-->
1931<link href=gsasIIfav.png rel="SHORTCUT ICON">
1932<!--[if gte mso 9]><xml>
1933 <o:shapedefaults v:ext="edit" spidmax="1027"/>
1934</xml><![endif]--><!--[if gte mso 9]><xml>
1935 <o:shapelayout v:ext="edit">
1936  <o:idmap v:ext="edit" data="1"/>
1937 </o:shapelayout></xml><![endif]-->
1938</head>
1939
1940<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1941
1942<div class=WordSection1>
1943
1944<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
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1946 stroked="f">
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1964</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1965 alt="Description: Description: Description: GSAS-II logo" style='position:absolute;
1966 margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;z-index:251657728;
1967 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
1968 mso-height-percent:0;mso-wrap-distance-left:0;mso-wrap-distance-top:0;
1969 mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
1970 mso-position-horizontal:right;mso-position-horizontal-relative:text;
1971 mso-position-vertical:absolute;mso-position-vertical-relative:line;
1972 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
1973 mso-height-relative:page' o:allowoverlap="f">
1974 <v:imagedata src="gsas2logo.png"/>
1975 <w:wrap type="square" anchory="line"/>
1976</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1977align=right alt="Description: Description: Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1978style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1979
1980<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1981is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1982operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1983window, which provides a hierarchical view of the current project; the <a
1984href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1985a particular section of the project, where values can be examined and changed;
1986the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1987representations of the results; and the console which has printout information
1988that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1989
1990<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1991
1992<h2><strong>GSAS-II tutorials:<o:p></o:p></strong></h2>
1993
1994<p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span
1995style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p>
1996
1997<p class=MsoNormal><strong><a
1998href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
1999style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2000
2001<p class=MsoNormal><strong><a
2002href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2003style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2004
2005<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
2006normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2007
2008<p class=MsoNormal><strong>Lab X-ray powder pattern Rietveld refinement
2009(future)<o:p></o:p></strong></p>
2010
2011<p class=MsoNormal><strong>CW Neutron powder pattern Rietveld refinement
2012(future)<o:p></o:p></strong></p>
2013
2014<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement
2015(future)<o:p></o:p></strong></p>
2016
2017<p class=MsoNormal><span class=GramE><strong>Crystal structure drawing (balls
2018&amp; sticks, etc.)</strong></span><strong> (<span class=GramE>future</span>)<o:p></o:p></strong></p>
2019
2020<p class=MsoNormal><strong>Crystal structure drawing (<span class=SpellE>polyhedra</span>)
2021(future)<o:p></o:p></strong></p>
2022
2023<p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p>
2024
2025<p class=MsoNormal><strong>Charge flipping structure <span class=GramE>solution(</span>future)<o:p></o:p></strong></p>
2026
2027<p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p>
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<div class=MsoNormal align=center style='text-align:center'><span
2037style='mso-fareast-font-family:"Times New Roman"'>
2038
2039<hr size=2 width="100%" align=center>
2040
2041</span></div>
2042
2043<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2044GSAS-II data tree<o:p></o:p></span></h2>
2045
2046<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2047is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2048Clicking on any item in the tree opens a window where information in that item
2049can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2050Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2051about how data were collected, such as the sample temperature <a
2052href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2053the selection to successive entries in the data tree; both the data window and
2054the associated plot (if any) will change.<o:p></o:p></span></p>
2055
2056<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2057
2058<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2059menus associated with this window provide access to many features of GSAS-II,
2060as outlined below: <o:p></o:p></span></p>
2061
2062<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2063style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2064style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2065&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2066
2067<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2068auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2069style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2070style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2071style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2072saved GSAS-II project file (name.gpx). If you currently have a project file
2073open, you are asked if it is OK to over write it; Cancel will cancel the process.
2074<b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2075class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2076of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2077to e.g. name.gpx to overwrite the current version. Otherwise you may get
2078backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2079
2080<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2081auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2082style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2083style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2084style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2085project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2086tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2087there. Otherwise, you will be prompted for a new name in a file dialog (you may
2088change directory as well). If the file exists, you will be asked if it OK to
2089overwrite.</span></p>
2090
2091<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2092auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2093style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2094style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2095style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2096As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2097Save the current project to a new file. A file dialog will be shown to enter
2098the name (and change directory if desired). If the file exists, you will be
2099asked if it OK to overwrite.</span></p>
2100
2101<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2102auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2103style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2104style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2105style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2106project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2107&#8211; Close the current project; you will be asked if you want to save it
2108first.</span></p>
2109
2110<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2111auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2112style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2113style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2114style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2115style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2116program; if there is a current project you will be asked if you want to save it
2117first. Pressing the red X in the upper right (Windows) also exits (no save
2118option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2119
2120<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2121style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2122style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2123&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2124
2125<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2126auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2127style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2128style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2129style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
2130powder diffraction patterns (multiple patterns can be selected). GSAS-II can
2131read most of the old GSAS powder format files with the position in <span
2132class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
2133class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
2134where the position is in degrees 2-theta. As each file is read, an old GSAS
2135style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
2136class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
2137data set is assumed. </p>
2138
2139<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2140auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2141style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2142style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2143style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2144powder diffraction images (multiple patterns can be selected). GSAS-II can read
2145many different image file formats including MAR345 files, Quantum ADSC files,
2146and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2147formats have data fields that should contain relevant information for the
2148exposure (e.g. wavelength), these are rarely filled in correctly by the data
2149acquisition software. Thus, you should have separately noted this information
2150as it will be needed</p>
2151
2152<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2153auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2154style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2155style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2156style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2157in a list of powder pattern peak positions as either a d-spacing table or a set
2158of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2159GSAS-II powder pattern indexing. </p>
2160
2161<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2162auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2163style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2164style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2165style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2166
2167<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2168auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2169style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2170style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2171style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2172
2173<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2174auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2175style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2176style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2177style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2178
2179<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2180auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2181style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2182style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2183style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2184creation of a new phase in the data tree (under Phases). You are first prompted
2185in a dialog box for a name to be assigned to the new phase. Then the <b
2186style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2187opened for this phase; you should first select the phase type, enter the space
2188group symbol and then lattice parameters. Note that nonstandard space group
2189symbols are permitted; there must be spaces between the axial fields (e.g. use
2190&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</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'>h.<span
2195style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2196style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2197phase from the data tree. A dialog box will present the list of phases; pick
2198one (or more) to delete.</p>
2199
2200<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2201auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2202style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2203style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2204</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2205data</b> &#8211; This might be a bad idea!!</p>
2206
2207<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2208auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2209style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2210style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2211</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2212data</b> &#8211; This will remove an item from the data tree. A dialog box with
2213a list of choices is presented.</p>
2214
2215<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2216style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2217style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2218&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2219
2220<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2221auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2222style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2223style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2224style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2225pair distribution function (PDF) controls for each powder pattern selected in
2226the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2227style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2228Controls</a></span></b> for further directions.</p>
2229
2230<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2231auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2232style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2233style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2234style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2235&#8211; This shows a dialog box with all the parameters for your project; those
2236to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2237Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2238The total number of refined parameters is also shown at the top of the list.
2239The value of each parameter is also given. The parameter names are of the form
2240&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2241phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2242item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2243that for atom positions the value is not a <span class=SpellE>refinable</span>
2244parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2245class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2246atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2247&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2248
2249<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2250auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2251style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2252style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2253style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2254refinement (Pawley/Rietveld or single crystal) according to the controls set in
2255the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2256data tree item.</p>
2257
2258<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2259auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2260style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2261style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2262style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2263sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2264normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2265
2266<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2267style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2268style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2269&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2270
2271<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2272auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2273style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2274style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2275style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2276
2277<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2278auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2279style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2280style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2281style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2282reads one phase from a GSAS experiment file (name.EXP). The file name is found
2283in a directory dialog; you can change directories as needed. Only .EXP (or
2284.exp) file names are shown. If the selected file has more than one phase, a
2285dialog is shown with the choices; only one can be chosen. If you want more than
2286one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2287command. After selecting a phase, a dialog box is shown with the proposed phase
2288name. You can change it if desired.</p>
2289
2290<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2291auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2292style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2293style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2294style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2295the macromolecular phase information from a Protein Data Base file (name.PDB or
2296name.ENT). The file name is found in a directory dialog; you can change
2297directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2298the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2299follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2300dialog box is shown with the proposed phase name. You can change it if desired.</p>
2301
2302<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2303auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2304style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2305style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2306style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2307phase from a Crystallographic Information File (name.CIF). The file name is
2308found in a directory dialog; you can change directories as needed. Only .CIF
2309(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2310has more than one phase, a dialog is shown with the choices; only one can be
2311chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2312normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2313shown with the proposed phase name. You can change it if desired.</p>
2314
2315<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2316auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2317style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2318style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2319style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2320This reads one phase from a GSAS-II project file (name.GPX). The file name is
2321found in a directory dialog; you can change directories as needed. Only .GPX
2322(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2323has more than one phase, a dialog is shown with the choices; only one can be
2324chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2325normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2326selecting a phase, a dialog box is shown with the proposed phase name. You can
2327change it if desired.</p>
2328
2329<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2330auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2331style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2332style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2333style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2334
2335<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2336auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2337style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2338style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2339style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2340
2341<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2342style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2343style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2344&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2345
2346<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2347auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2348style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2349style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2350style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2351
2352<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2353auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2354style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2355style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2356style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2357
2358<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2359auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2360style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2361style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2362style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2363
2364<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2365auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2366style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2367style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2368style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2369
2370<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2371auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2372style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2373style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2374style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2375
2376<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2377text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2378style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2379style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2380style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2381
2382<div class=MsoNormal align=center style='text-align:center'><span
2383style='mso-fareast-font-family:"Times New Roman"'>
2384
2385<hr size=2 width="100%" align=center>
2386
2387</span></div>
2388
2389<div class=MsoNormal align=center style='text-align:center'><span
2390style='mso-fareast-font-family:"Times New Roman"'>
2391
2392<hr size=2 width="100%" align=center>
2393
2394</span></div>
2395
2396<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2397GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2398"Times New Roman"'><o:p></o:p></span></h2>
2399
2400<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2401information is displayed in the Data Editing Window, depending on which section
2402of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2403the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2404window described below. <o:p></o:p></span></p>
2405
2406<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2407style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2408
2409<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2410window provides a place for you to enter whatever text commentary you wish.
2411Each time you enter this window, a date/time entry is provided for you. A
2412possibly useful technique is to select a portion of the console window after a
2413refinement completes (it will contain refinement results with residuals, new
2414values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2415window so it becomes a part of your project file.<o:p></o:p></span></p>
2416
2417<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2418style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2419
2420<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2421window provides the main controls for the major calculations in GSAS-II. At
2422present only Refinement Controls are presented. <o:p></o:p></span></p>
2423
2424<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2425of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2426MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2427algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2428package and a third one is a python version utilizing only the <span
2429class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2430the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2431nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2432algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2433routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2434Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2435J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2436python/numpy version was developed by us based on the material in Numerical
2437Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2438&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2439algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2440
2441<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2442
2443<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2444style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2445style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2446style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2447uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2448Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2449perhaps a bit less accurate, but may be needed if the analytic functions are
2450not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2451x M (parameters x observations) and is much larger than the Hessian matrix
2452which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2453Hessian&#8217; for routine work.<o:p></o:p></span></p>
2454
2455<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2456style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2457style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2458style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2459delta-M/M&#8217; for convergence; the refinement will stop when the change in
2460the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2461force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2462(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2463to 1.0.<o:p></o:p></span></p>
2464
2465<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2466style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2467style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2468style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2469Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2470the first cycle of refinement. This value is modified by the least squares
2471routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2472needed if your initial <span class=GramE>refinement</span> trials immediately
2473diverge, however make sure your starting parameter values are
2474&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2475performance.<o:p></o:p></span></p>
2476
2477<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2478style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2479style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2480style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2481Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2482number of least squares cycles to be performed. Least squares cycles are
2483determined by the number of times a new Hessian matrix is computes; the <span
2484class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2485several times between cycles as it finds the optimal value of the Marquardt
2486coefficient. Choices are given in the pull down selection; the default is 3
2487cycles.<o:p></o:p></span></p>
2488
2489<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2490style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2491style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2492style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2493refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2494
2495<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2496
2497<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2498window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2499shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2500
2501<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2502
2503<span style='mso-bookmark:Constraints'></span>
2504
2505<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2506window shows the constraints to be used in a refinement. It is organized into
2507three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2508parameters that describe aspects of the crystalline phases to be used in the
2509refinement (e.g. atom coordinates, thermal motion and site fraction
2510parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2511aspects of the pattern that depend on both the phase and the data set used in
2512the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2513"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2514and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2515that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2516and Y).<o:p></o:p></span></p>
2517
2518<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2519
2520<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2521style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2522style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2523style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2524parameter types you wish to constrain. Each will have the same possibilities in
2525the &#8216;Edit menu.<o:p></o:p></span></p>
2526
2527<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2528style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2529style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2530style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2531style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2532
2533<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2534auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2535style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2536style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2537class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2538"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2539style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2540style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2541that you wish to remain fixed although other parameters of the same type may be
2542selected as a group for refinement. For example, if the space group for a phase
2543has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2544is arbitrary and should be selected for a Hold to keep the structure from
2545drifting up or down the y-axis during refinement. If selected, a dialog box
2546will appear showing the list of available parameters; select one and then OK to
2547implement it, Cancel will cancel the operation. The held parameter will be
2548shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2549button can be used to remove it.<o:p></o:p></span></p>
2550
2551<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2552auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2553style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2554style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2555style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2556equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2557&#8211; select a list of parameters that should have the same value (possibly
2558with a non-unitary multiplier for some). Examples are a list of atoms with the
2559same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2560coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2561selected, a dialog box will appear with a list of the available parameters.
2562Select one and press OK; a second dialog box will appear with only those
2563parameters that can be made equivalent to the first one. Choose those and press
2564OK. Cancel in either dialog will cancel the operation. The equivalenced
2565parameters 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;
2566usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2567button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2568equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2569
2570<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2571auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2572style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2573style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2574style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2575constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2576&#8211; select a list of parameters whose sum (with possible non-unitary
2577multipliers) is fixed. For example, the sum of site fractions for atoms on the
2578same site could be fixed to unity. If selected, a dialog box will appear with a
2579list of the available parameters. Select one and press OK; a second dialog box
2580will appear with only those parameters that can be used in a constraint with
2581the first one. Choose those and press OK. Cancel in either dialog will cancel
2582the operation. The equivalenced parameters will show as an equation of the form
2583M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2584multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2585the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2586constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2587
2588<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2589text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2590style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2591style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2592style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2593function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2594&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2595the result of the sum can be varied in the refinement. The keyword
2596&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2597indicates your choice to refine the result of the sum. A Delete button can be
2598used to remove it.<o:p></o:p></span></p>
2599
2600<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2601style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2602
2603<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2604window is empty<o:p></o:p></span></p>
2605
2606<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2607
2608<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2609just yet<o:p></o:p></span></p>
2610
2611<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2612style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2613
2614<p class=MsoNormal>In this window is tabulated the results of your sequential
2615refinement. The columns are the parameter names; the naming convention is
2616&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2617h is the histogram number, name is the parameter name, and num (if needed) is
2618the item number (e.g. atom number). The rows are the data sets used in the
2619sequential refinement.</p>
2620
2621<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2622
2623<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2624
2625<h3>Histograms</h3>
2626
2627<p class=MsoNormal>These are shown in the data tree with a prefix of
2628&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2629&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2630constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2631analysis. Selection of these items does not produce any information in the data
2632window but does display the data in the Plots Window. They are described below.</p>
2633
2634<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2635
2636<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2637a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2638href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2639tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2640variety of subcategories in the tree are shown. The items that are shown depend
2641on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2642
2643<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2644style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2645
2646<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2647style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2648"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2649</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2650&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2651
2652<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2653text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2654style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2655style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2656style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2657style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2658&#8211; this produces a &#8216;normal probability&#8217; plot for the
2659refinement result as bounded by the limits. The slope and intercept of the
2660curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2661Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2662style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2663style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2664"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2665style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2666plot status line. The slope is the square root of GOF for the best fit set of
2667data points (~68% of the data).<o:p></o:p></span></span></p>
2668
2669<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2670
2671<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2672whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2673file was read by GSAS-II. If you are lucky, there will be useful information
2674here (e.g. sample name, date collected, wavelength used, etc.). If not, this
2675window will be blank. The text is read-only in that anything you try to enter
2676here is not saved.</span></p>
2677
2678<span style='mso-bookmark:Comments'></span>
2679
2680<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2681style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2682
2683<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2684window shows the limits in position to be used in any fitting for this powder
2685pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2686maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2687needed.<o:p></o:p></span></p>
2688
2689<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2690
2691<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2692style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2693style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2694style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2695class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2696&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2697changed (the background on the box will be blue or have a black border or a
2698vertical bar will appear in the value), then enter the new value and press
2699Enter or click the mouse elsewhere in the Background window. This will set the
2700new value.<o:p></o:p></span></p>
2701
2702<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2703style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2704style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2705style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2706&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2707(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2708line) into position. A left or right mouse click on a data point on the plot
2709will set the associated limit. In either case the appropriate value on the
2710&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2711
2712<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2713style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2714style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2715style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2716style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2717
2718<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2719text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2720style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2721style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2722style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2723style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2724limits shown to other selected powder patterns. If used, a dialog box (Copy
2725Parameters) will appear showing the list of available powder patterns, you can
2726copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2727copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2728&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2729
2730<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2731
2732<span style='mso-bookmark:Background'></span>
2733
2734<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2735window shows the choice of background functions and coefficients to be used in
2736fitting this powder pattern. There are three types of contributions available
2737for the background:<o:p></o:p></span></p>
2738
2739<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2740A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2741&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2742interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2743interpolate&#8217;). The latter three select fixed points with spacing that is <span
2744class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2745x-coordinate. The set of magnitudes at each point then comprise the background
2746variables. All are refined when refine is selected.<o:p></o:p></span></p>
2747
2748<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2749"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2750form:<o:p></o:p></span></p>
2751
2752<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2753"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
2754 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2755 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
2756   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2757   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2758   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2759     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2760     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2761     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><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>sinQR</m:r></span></i></m:num><m:den><i
2764     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2765     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
2766   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2767   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2768   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2769   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2770   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2771   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2772   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2773     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2774     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2775     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2776     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2777     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2778     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2779     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
2780style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2781"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2782top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2783EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2784 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2785 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2786</v:shape><![endif]--><![if !vml]><img width=178 height=51
2787src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2788style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27891'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2790
2791<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2792style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2793variables and can be individually selected as desired; Q = 2</span><span
2794style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2795style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2796
2797<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2798A set of individual Bragg peaks using the pseudo-Voigt profile function as
2799their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2800&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2801&#8216;gam&#8217;; each can be selected for refinement. The default values for
2802sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2803to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2804
2805<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2806
2807<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2808style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2809style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2810style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2811style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2812
2813<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2814auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2815style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2816style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2817style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2818style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2819background parameters shown to other selected powder patterns. If used, a
2820dialog box (Copy Parameters) will appear showing the list of available powder
2821patterns, you can copy the background parameters to any or all of them; select
2822&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2823do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2824
2825<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2826auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2827style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2828style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2829style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2830flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2831<span class=GramE>this copies</span> only the refinement flags shown to other
2832selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2833appear showing the list of available powder patterns, you can copy the
2834refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2835to all patterns. Then select &#8216;OK&#8217; to do the copy;
2836&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2837
2838<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2841style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2842Background function from the pull down tab.<o:p></o:p></span></p>
2843
2844<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2845style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2846style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2847style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2848refine the background coefficients.<o:p></o:p></span></p>
2849
2850<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2851style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2852style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2853style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2854background coefficients to be used (1-36).<o:p></o:p></span></p>
2855
2856<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2857style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2858style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2859style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2860background coefficient values. Enter the value then press Enter or click the
2861mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2862
2863<p class=MsoListParagraphCxSpMiddle 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'>6.<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 one or more
2867Debye scattering terms into the background. For each one you should enter a
2868sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2869an amorphous phase is appropriate. Select parameters to refine; usually start
2870with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2871
2872<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2873style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2874style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2875style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2876Bragg peaks into the background. For each you should specify at least the
2877position. Select parameters to refine; usually start with the &#8216;<span
2878class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2879
2880<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2881"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2882style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2883
2884<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2885window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2886
2887<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2888
2889<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2890style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2891style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2892style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2893style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2894
2895<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2896auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2897style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2898style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2899style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2900profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2901loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2902replacing the existing instrument parameter values. All refinement flags are
2903unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2904
2905<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2906auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2907style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2908style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2909style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2910profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2911the current instrument parameter values in a simple text file (<span
2912class=SpellE>name.instprm</span>); you will be prompted for the file name
2913&#8211; do not change the extension. This file may be edited but heed the
2914warning to not change the parameter names, the order of the parameter records
2915or add new parameter records as this will invalidate the file. You may only
2916change the numeric values if necessary. You can change or add comment records
2917(begins with &#8216;#&#8217;).<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'>c.<span
2922style='font:7.0pt "Times New Roman"'>&nbsp;&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"'>Reset
2924profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2925resets the values for the instrument parameters to the default values shown in
2926parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2927
2928<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2929auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2930style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2931style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2932style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2933style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2934instrument parameters shown to other selected powder patterns. If used, a
2935dialog box (Copy parameters) will appear showing the list of available powder
2936patterns, you can copy the instrument parameters to any or all of them; select
2937&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2938do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2939work for instrument parameters that are commensurate with the one that is
2940shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2941style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2942style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2943style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2944style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2945style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2946style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2947
2948<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2949auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2950style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2951style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2952style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2953flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2954&#8211; this copies the instrument parameter refinement flags shown to other
2955selected powder patterns. If used, a dialog box (Copy refinement flags) will
2956appear showing the list of available powder patterns, you can copy the
2957instrument parameter refinement flags to any or all of them; select
2958&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2959do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2960work for instrument parameters that are commensurate with the one that is
2961shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2962style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2963style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2964style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2965style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2966style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2967style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2968
2969<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2970auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2971style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2972style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2973style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2974radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2975&#8211; this changes the radiation between single wavelength (e.g. for
2976synchrotron source) and K</span><sub><span style='font-family:Symbol;
2977mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2978style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2979style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2980style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2981style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2982style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2983laboratory tube source).<o:p></o:p></span></p>
2984
2985<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2986style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2987style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2988style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2989profile coefficients<o:p></o:p></span></p>
2990
2991<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2992style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2993style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2994style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2995profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2996circumstances some choices are ignored e.g. Zero is not refined during peak
2997fitting. Also some choices may lead to unstable refinement, e.g. <span
2998class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2999&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
3000style='mso-fareast-font-family:"Times New Roman"'> display for highly
3001correlated parameters.<o:p></o:p></span></p>
3002
3003<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
3004"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
3005
3006<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3007window show the various sample dependent parameters for this powder pattern.
3008The presence of a refine button indicates which can be refined while others are
3009fixed. All values can be changed in this window.<o:p></o:p></span></p>
3010
3011<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
3012Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
3013do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
3014style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
3015color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3016
3017<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3018style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3019style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3020normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3021style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3022style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3023normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3024style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3025style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3026style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3027style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3028normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3029
3030<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3031text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3032style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3033style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3034style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3035style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3036style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3037style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3038sample parameters shown to other selected powder patterns. If used, a dialog
3039box (Copy parameters) will appear showing the list of available powder
3040patterns, you can copy the sample parameters to any or all of them; select
3041&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3042do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3043
3044<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3045text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3046style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
3047style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3048style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3049style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3050flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
3051style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
3052- &#8211; this copies the sample parameter refinement flags shown to other
3053selected powder patterns. If used, a dialog box (Copy refinement flags) will
3054appear showing the list of available powder patterns, you can copy the sample
3055parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3056copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3057&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3058
3059<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
3060style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3061style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3062
3063<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3064window shows the list of peaks that will be used by the peak fitting
3065refinement. It is filled by picking peaks in the powder pattern displayed in
3066the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3067
3068<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3069style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3070can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3071style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3072normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3073
3074<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3075style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3076"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3077bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3078</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3079color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3080style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3081color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3082style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3083normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3084
3085<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3086tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3087style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3088normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3089style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3090class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3091style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3092color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3093peak parameters, background and instrument parameter values varied in the last
3094peak fitting refinement back to their original values. Use this to recover from
3095a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3096only a single level of recovery available.<o:p></o:p></span></span></h5>
3097
3098<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3099tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3100style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3101normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3102style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3103style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3104class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3105style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3106normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3107peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3108background parameters and instrument parameters with refine checked will be
3109varied in this refinement. The refinement will proceed until convergence. We
3110suggest you vary the intensity along with the background first (the default),
3111then vary the position and instrument parameters after. The order will depend
3112on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3113&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3114difference curve displayed in the GSASII Plots window. If individual peaks show
3115peak widths that are widely different, their individual sigma and gamma
3116parameters may be refined. If the refinement results in negative peak
3117coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3118style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3119"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3120style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3121color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3122and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3123
3124<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3125tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3126style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3127normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3128style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3129style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3130cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3131style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3132normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3133squares refinement. This can be used in difficult cases to get a refinement
3134started toward convergence.<o:p></o:p></span></span></h5>
3135
3136<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3137tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3138style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3139normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3140style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3141style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3142and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3143style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3144normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3145gamma to those computed from the instrument parameters U, V, W, <span
3146class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3147
3148<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3149tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3150style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3151normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3152style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3153style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3154style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3155color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3156removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3157
3158<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3159style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3160"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3161bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3162</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3163color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3164peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3165near to the top point on a peak, 2) press the left mouse button. The selected
3166peak will be added to the Peak List in its correct sorted order and a blue
3167vertical line will be plotted on that position. Be sure that the Zoom/Pan
3168buttons are not selected on the Plot window. We recommend that you begin
3169picking peaks from the right side of the pattern; that way the tool tip
3170won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3171
3172<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3173style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3174"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3175bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3176</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3177color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3178Peak List item using the mouse on the plot by: 1) position the pointer on the
3179blue line for the peak you wish to move, 2) holding the left mouse button down,
3180drag to the desired position &amp; then release the button. The peak line will
3181be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3182selected on the Plot window.<o:p></o:p></span></span></h5>
3183
3184<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3185style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3186"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3187</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3188can change individual peak coefficient values. Enter the value then press Enter
3189or Tab or click the mouse elsewhere in the Peak List window. This will set the
3190new value.<o:p></o:p></span></span></p>
3191
3192<p class=MsoListParagraphCxSpLast style='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"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3195</span></span></span><![endif]>You can change the refine flags either by
3196clicking on the box or by selecting one and then selecting the column (a single
3197click on the column heading; column should show in blue). Then type
3198&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3199style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3200
3201<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3202style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3203"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3204bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3205</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3206color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3207peaks in the Peak List by selecting rows (should appear in blue) and then
3208pressing the Delete key. You can also delete peaks using the mouse on the plot
3209by positioning the pointer on the blue line for the peak to be deleted and then
3210pressing the right mouse button. The blue line should vanish and the
3211corresponding peak will be removed from the Peak List. Be sure that the
3212Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3213
3214<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3215"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3216"Times New Roman"'><o:p></o:p></span></h4>
3217
3218<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3219window shows the list of peaks that will be used for indexing (see </span><a
3220href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3221Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3222It must be filled before indexing can proceed. When indexing is completed, this
3223display will show the resulting <span class=SpellE>hkl</span> values for every
3224indexed reflection along with the calculated d-spacing (&#8216;d-<span
3225class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3226href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3227Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3228
3229<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3230
3231<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3232style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3233style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3234style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3235style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3236style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3237positions &amp; intensities from the </span><a href="#Peak_List"><span
3238style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3239style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3240the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3241Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3242href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3243Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3244table to the position shown here.<o:p></o:p></span></p>
3245
3246<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3247style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3248style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3249style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3250peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3251
3252<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3253style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3254"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3255"Times New Roman"'><o:p></o:p></span></h4>
3256
3257<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3258window... <o:p></o:p></span></p>
3259
3260<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3261List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3262
3263<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3264window... <o:p></o:p></span></p>
3265
3266<h3>Single Crystal Histograms - HKLF</h3>
3267
3268<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3269Functions - PDF<o:p></o:p></span></h3>
3270
3271<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3272Controls<o:p></o:p></span></h4>
3273
3274<p class=MsoNormal>This window </p>
3275
3276<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3277"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3278<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>
3279
3280<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3281window... <o:p></o:p></span></p>
3282
3283<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3284IMG<o:p></o:p></span></h3>
3285
3286<h4><a name=Images>Image Controls</a></h4>
3287
3288<span style='mso-bookmark:Images'></span>
3289
3290<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3291window... <o:p></o:p></span></p>
3292
3293<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3294mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3295style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3296name="Image_Masks"></a><![endif]></h4>
3297
3298<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3299window... <o:p></o:p></span></p>
3300
3301<h3>Phase Windows</h3>
3302
3303<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3304a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3305shown for that selected phase in a tabbed window. Clicking on each tab raises
3306the windows listed below. Each tab is identified by the underlined phrase in
3307the following:<o:p></o:p></span></p>
3308
3309<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3310Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3311
3312<span style='mso-bookmark:General'></span>
3313
3314<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3315gives overall parameters describing the phase such as the name, space group,
3316the unit cell parameters and overall parameters for the atom present in the
3317phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3318
3319<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3320
3321<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3322style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3323style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3324style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3325style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3326shows computations that are possible for this phase.<o:p></o:p></span></p>
3327
3328<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3329auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3330style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3331style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3332style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3333maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3334compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3335
3336<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3337auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3338style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3339style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3340style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3341maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3342search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3343% of the maximum will be found in this procedure; they will be printed on the
3344console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3345page. This page will immediately be shown and the peaks will be shown on the
3346structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3347
3348<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3349style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3350style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3351style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3352of the General page that can be changed are Phase name, Phase type, Space
3353group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3354
3355<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3356auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3357style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3358style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3359style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3360name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3361this is the name assigned to this phase. It should only be changed when the
3362phase is initialized or imported.<u><o:p></o:p></u></span></p>
3363
3364<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3365auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3366style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3367style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3368style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3369type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3370can only be set when there are no atoms in the Atoms page for this phase.
3371Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3372
3373<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3374auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3375style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3376style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3377style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3378group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3379&#8211; this should be set when the phase is initialized; it can be changed
3380later. Be careful about the impact on Atom site symmetry and multiplicity if
3381you do. GSAS-II will recognize any legal space group symbol using the short
3382Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3383fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3384with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3385setting where the center of inversion is located at the origin. The choice of
3386space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3387
3388<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3389auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3390style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3391style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3392style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3393unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3394&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3395Pawley refinement. The actual parameters refined are the symmetry allowed terms
3396(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3397normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3398"Times New Roman"'><br>
3399</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3400    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3401    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3402    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3405    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3406    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3407  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3408  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3409    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3410    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3411    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3412    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3413    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3414    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3415    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3416    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3417    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3418    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3421    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3422    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3423  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3424  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3425    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3426    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3427    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3428    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3429    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3430    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3431    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3432    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3433    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3434    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3437    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3438    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3439  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3440  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3441    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3442    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3443    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3444    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3445    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3446    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3447    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3448    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3449    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3450    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3451    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3452    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3453    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3454    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3455  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3456  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3457    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3458    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3459    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3460    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3461    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3462    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3463    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3464  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3465  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3466    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3467    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3468    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3471    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3472    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3473  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3474  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
3475    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3476    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3477    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3478    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3479    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3480    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3481    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3482  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3483  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3484style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3485"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3486mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3487 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3488 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3489</v:shape><![endif]--><![if !vml]><img width=335 height=19
3490src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3491style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3492
3493<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3494auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3495style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3496style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3497class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3498"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3499style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3500style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3501only those permitted by the space group are shown. The volume is computed from
3502the values entered.<u><o:p></o:p></u></span></p>
3503
3504<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3505style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3506style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3507style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3508Atoms page then the Elements table is shown next on the General page; you may
3509select the isotope (only relevant for neutron diffraction experiments). The
3510density is computed depending on this choice, the unit cell volume and the atom
3511fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3512
3513<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3514style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3515style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3516style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3517shown at the bottom of the General page. A completed Rietveld or Pawley
3518refinement is required before a Fourier map can be computed. Select the desired
3519type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3520
3521<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3522</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3523
3524<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3525
3526<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3527style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3528mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3529line-break'>
3530<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3531<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3532
3533<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3534
3535<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3536
3537<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3538
3539<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3540
3541<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3542
3543<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
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<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3548
3549<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3550rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3551ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3552menus for this tab; Edit allows modification of the list of atoms to be
3553rendered and Compute gives some options for geometric characterization of
3554selected atoms.</p>
3555
3556<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3557
3558<p class=MsoListParagraphCxSpFirst 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'>1.<span
3560style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3561Selection from table: select individual atoms by a left click of the mouse when
3562pointed at the left most column (atom numbers) of the atom display; hold down
3563the Ctrl key to add to your selection; a previously selected atom will be
3564deselected. A selected atom will be highlighted (in grey) and the atom will be
3565shown in green on the plot. Selection without the Ctrl key will clear previous
3566selections. A double left click in the (empty) upper left box will select or
3567deselect all atoms.</p>
3568
3569<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3570style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3571style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3572Selection from plot: select an atom by a left click of the mouse while holding
3573down the Shift key and pointed at the center of the displayed atom, it will turn
3574green if successful and the corresponding entry in the table will be
3575highlighted (in grey); any previous selections will be cleared. To add to .your
3576selection use the right mouse button (Shift down); if a previously selection is
3577reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3578normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3579to select, they may be selected inadvertently. You can rotate the structure
3580anytime during the selection process.</p>
3581
3582<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3583style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3584style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3585left click a Name, Type and Sym Op column heading: a dialog box is shown that
3586allows you to select all atoms with that characteristic. For example, selecting
3587the Type column will show all the atom types; your choice will then cause all
3588those atoms to be selected.</p>
3589
3590<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3591style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3592style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3593left click a Style, Label or Color column: a dialog box is shown that allows
3594you to select a rendering option for all the atoms. For Color a color choice
3595dialog is displayed that covers the entire color spectrum. Choose a color by
3596any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3597select that color in the Custom colors display and then press OK. <b
3598style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3599have the same color and for Style &#8220;blank&#8221; means the atoms
3600aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3601
3602<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3603style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3604style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3605&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3606shows operations that can be performed on your selected atoms. You must select
3607one or more atoms before using any of the menu items.</p>
3608
3609<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3610auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3611style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3612style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3613style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3614style for the selected atoms</p>
3615
3616<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3617auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3618style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3619style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3620style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3621be shown as a label for each atom in selection. The choices are: none, type,
3622name or number.</p>
3623
3624<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3625auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3626style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3627style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3628style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3629the atom; a color choice dialog is displayed that covers the entire color
3630spectrum. Choose a color by any of the means available, press the &#8220;Add to
3631Custom Colors&#8221;, select that color in the Custom colors display and then
3632press OK.</p>
3633
3634<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3635auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3636style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3637style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3638style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3639atom color back to their defaults for the selected atoms.</p>
3640
3641<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3642auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3643style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3644style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3645style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3646view point to the first atom in the selection.</p>
3647
3648<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3649auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3650style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3651style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3652style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3653atoms, new ones are added to the bottom of the list after applying your choice
3654of symmetry operator and unit cell translation selected via a dialog display.
3655Duplicate atom positions are not retained. Any anisotropic thermal displacement
3656parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3657
3658<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3659auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3660style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3661style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3662style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3663symmetry operator and unit cell translation to the set of selected atoms; they
3664will be changed in place. Any anisotropic thermal displacement parameters (<span
3665class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3666
3667<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3668auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3669style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3670style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3671style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3672currently in the draw atom table, find all atoms that belong in the
3673coordination sphere around the selected atoms via unit cell translations. NB:
3674symmetry operations are not used in this search.</p>
3675
3676<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3677auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3678style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3679style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3680</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3681cell</b> - using the atoms currently selected from the draw atom table, find
3682all atoms that fall inside or on the edge/surface/corners of the unit cell.
3683This operation is frequently performed before Fill CN-sphere.</p>
3684
3685<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3686auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3687style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3688style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3689</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete atoms</b>
3690&#8211; clear the entire draw atom table; it is then refilled from the Atoms
3691table. You should do this operation after any changes in the Atoms table, e.g.
3692by a structure refinement.</p>
3693
3694<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3695style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3696style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3697&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3698menu gives a choice of geometric calculations to be performed with the selected
3699atoms. You must select the appropriate number of atoms for these to work and
3700the computation is done for the atoms in selection order.</p>
3701
3702<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3703auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3704style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3705style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3706style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3707normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3708a distance, angle or torsion angle will be found for them. The angles are
3709computed for the atoms in their selection order. The torsion angle is a right
3710hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3711estimated standard deviation is given for the calculated value if a current
3712variance-covariance matrix is available. The result is shown on the console
3713window; it may be cut &amp; pasted to another application (e.g. Microsoft
3714Word).</p>
3715
3716<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3717text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3718style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3719style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3720style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3721are selected, a best plane is determined for them. The result is shown on the
3722console window; it may be cut &amp; pasted to another application (e.g.
3723Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3724plane coordinates where the largest range is over the X-axis and the smallest
3725is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3726center of the selection. Root mean square displacements along each axis for the
3727best plane are also listed. The Z-axis RMS value indicates the flatness of the
3728proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3729(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3730atoms with respect to a coordinate system where the X-axis is along the longest
3731axis of the atom grouping and the Z-axis is along the shortest distance. The
3732origin is at the <span class=SpellE>unweighted</span> center of the selected
3733atoms.</p>
3734
3735<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3736
3737<p class=MsoNormal>This gives the list of reflections used in a Pawley
3738refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3739style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3740style='color:#00B0F0'>.</span></p>
3741
3742<h5>What can I do here?</h5>
3743
3744<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3745style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3746style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3747<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3748
3749<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3750auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3751style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3752style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3753style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3754new set of Pawley reflections, over writing any preexisting Pawley set. They
3755are generated with d-<span class=SpellE>spacings</span> larger than the limit
3756set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3757for this phase. By default the refine flags are not set and the <span
3758class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3759class=SpellE>hkl</span>) = 100.0.</p>
3760
3761<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3762auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3763style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3764style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3765style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3766an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3767class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3768reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3769the <a href="#Data">Data</a> tab.</p>
3770
3771<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3772auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3773style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3774style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3775style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3776set of Pawley reflections.</p>
3777
3778<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3779style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3780style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3781can change the refine flags either by clicking on the box or by selecting one
3782and then selecting the column (a single click on the column heading). Then type
3783&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3784You should deselect those reflections that fall below the lower limit or above
3785the upper limit of the powder pattern otherwise you may have a singular matrix
3786error in your Pawley refinement.</p>
3787
3788<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3789style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3790style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3791can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3792class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3793typing in the new value and then pressing enter or selecting somewhere else in
3794the table.</p>
3795
3796<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3797
3798<h4><a name="Map_peaks">Map peaks</a></h4>
3799
3800<span style='mso-bookmark:Map_peaks'></span>
3801
3802<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3803found within the unit cell from the last Fourier map search sorted in order of decreasing
3804peak magnitude. The crystal structure plot shows each peak position as a white
38053-D cross.</p>
3806
3807<h5>What can I do here?</h5>
3808
3809<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3810style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3811style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3812a peak with a left click on the left hand row number, hold Ctrl key down to add
3813more peaks to your selection. Each peak selected will show as a green 3-D cross
3814on the crystal structure plot.</p>
3815
3816<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3817style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3818style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3819<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3820style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3821
3822<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3823auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3824style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3825style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3826style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3827peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3828Atoms</a> list. They will be appended to the end of each list each with the
3829name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3830drawn as small white spheres at their respective positions in the structure
3831drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3832change the atom type to whatever element you desire; it will be renamed
3833automatically.</p>
3834
3835<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3836text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3837style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3838style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3839style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3840the peaks in the map peak list; they are also removed from the crystal
3841structure drawing plot.</p>
3842
3843<div class=MsoNormal align=center style='text-align:center'><span
3844style='mso-fareast-font-family:"Times New Roman"'>
3845
3846<hr size=2 width="100%" align=center>
3847
3848</span></div>
3849
3850<div class=MsoNormal align=center style='text-align:center'><span
3851style='mso-fareast-font-family:"Times New Roman"'>
3852
3853<hr size=2 width="100%" align=center>
3854
3855</span></div>
3856
3857<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3858GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3859style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3860style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3861
3862<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3863window presents all the graphical material as a multipage tabbed set of plots
3864utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3865has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3866
3867<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3868mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3869src=graphbar.jpg
3870alt="Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3871style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3872
3873<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3874are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3875
3876<ul type=disc>
3877 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3878     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3879     "Times New Roman"'>Home: returns the plot to the initial scaling <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"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3883 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3884     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3885     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3886     of the Back button <o:p></o:p></span></li>
3887 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3888     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3889     "Times New Roman"'>Pan: allows you to control panning across the plot
3890     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3891 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3892     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3893     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3894     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3895 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3896     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3897     "Times New Roman"'>Save: allows you to save the currently displayed plot
3898     in one of several graphical formats suitable for printing or insertion in
3899     a document.<o:p></o:p></span></li>
3900 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3901     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3902     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3903</ul>
3904
3905<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3906
3907<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3908the toolbar may be a status bar that on the left may show either an instruction
3909for a keyed input or a pull down selection of keyed input; on the right may be
3910displayed position dependent information that is updated as the mouse is moved
3911over the plot region.<o:p></o:p></span></p>
3912
3913<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3914
3915<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3916specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3917
3918<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3919
3920<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3921powder patterns that are part of your project are shown on this page. They can
3922be displayed as a stack of powder patterns, just a single pattern or as a
3923contour image of the peak intensities. What can be done here will depend on
3924which is displayed and on which item in the GSAS-II data tree you have
3925selected.<o:p></o:p></span></p>
3926
3927<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3928
3929<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3930style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3931style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3932style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3933the plot, the plot status line will show the cursor position in 2</span><span
3934style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3935style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3936intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3937Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3938style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3939
3940<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3941style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3942style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3943the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3944press&#8217; </b>&#8211; you can either press the key on the key board or
3945select from the pull down menu. For line plots:</p>
3946
3947<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3948auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3949style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3950style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3951class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3952style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3953plot of multiple powder profiles, increase the offset to the left. Does not
3954apply if only one pattern.</p>
3955
3956<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3957auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3958style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3959style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3960class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3961style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3962of multiple powder profiles, increase the offset to the left. Does not apply if
3963only one pattern.</p>
3964
3965<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3966auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3967style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3968style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3969class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3970style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3971multiple powder profiles, increase the offset down. Does not apply if only one
3972pattern.</p>
3973
3974<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3975auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3976style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3977style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3978class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3979style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3980multiple powder profiles, increase the offset up. Does not apply if only one
3981pattern.</p>
3982
3983<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3984auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3985style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3986style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3987class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3988style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3989of multiple powder profiles, reset to no offset. Does not apply if only one
3990pattern.</p>
3991
3992<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3993auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3994style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3995style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3996class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3997style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3998y-axis to be the log10 of the intensity; difference curve is not shown for
3999log(I) on.</p>
4000
4001<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4002auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4003style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
4004style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4005class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
4006style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple powder
4007profiles, then a contour plot is shown of the observed intensities. All data
4008sets must be the same length as the first one to be included in the contour
4009plot.</p>
4010
4011<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4012auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4013style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4014style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4015style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4016x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4017style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4018taken at different energies on the same x-axis scale.</p>
4019
4020<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4021auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4022style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4023style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4024</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4025normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4026&#8211; for multiple powder profiles, this will show only the one selected from
4027the data tree. The offset options are not active.</p>
4028
4029<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4030auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4031style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
4032style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4033</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4034normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4035sig</b> &#8211; for the pattern selected from the data tree, this will divide
4036the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4037for the data points. Other data sets are not shown.</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'>k.<span
4042style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4043style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4044profiles, only the observed curve is shown.</p>
4045
4046<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4047style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4048style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4049style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4050line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4051
4052<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4053auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4054style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4055style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4056class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4057"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
4058style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
4059style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
4060level chosen for the highest contour color.<o:p></o:p></span></p>
4061
4062<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4063auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4064style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4065style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4066style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4067raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4068&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4069
4070<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4071auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4072style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4073style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4074class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4075"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
4076style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
4077style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4078method used to represent the contours. If selected a dialog box appears with
4079all the possible choices. Default is &#8216;nearest&#8217;; the other useful
4080choice is &#8216;bilinear&#8217;, this will smooth out the contours. <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'>d.<span
4085style='font:7.0pt "Times New Roman"'>&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"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
4088style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
4089style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4090color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
4091black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
4092black on white) or &#8216;gray&#8217; (for white on black). Others can be very
4093colorful (but not useful)!<o:p></o:p></span></p>
4094
4095<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4096auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4097style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
4098style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4099class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4100"Times New Roman"'>c</span></b