source: trunk/help/gsasII.html @ 608

Last change on this file since 608 was 608, checked in by vondreele, 10 years ago
  • Property svn:keywords set to Author
  • Property svn:mime-type set to text/html
File size: 221.3 KB
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
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381        mso-fareast-theme-font:minor-fareast;}
382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-noshow:yes;
432        mso-style-priority:9;
433        mso-style-qformat:yes;
434        mso-style-link:"Heading 4 Char";
435        mso-style-next:Normal;
436        margin-top:10.0pt;
437        margin-right:0in;
438        margin-bottom:0in;
439        margin-left:0in;
440        margin-bottom:.0001pt;
441        mso-pagination:widow-orphan lines-together;
442        page-break-after:avoid;
443        mso-outline-level:4;
444        font-size:13.0pt;
445        font-family:"Cambria","serif";
446        mso-ascii-font-family:Cambria;
447        mso-ascii-theme-font:major-latin;
448        mso-fareast-font-family:"Times New Roman";
449        mso-fareast-theme-font:major-fareast;
450        mso-hansi-font-family:Cambria;
451        mso-hansi-theme-font:major-latin;
452        mso-bidi-font-family:"Times New Roman";
453        mso-bidi-theme-font:major-bidi;
454        color:#4F81BD;
455        mso-themecolor:accent1;
456        font-weight:bold;
457        font-style:italic;}
458h5
459        {mso-style-noshow:yes;
460        mso-style-priority:9;
461        mso-style-qformat:yes;
462        mso-style-link:"Heading 5 Char";
463        mso-margin-top-alt:auto;
464        margin-right:0in;
465        mso-margin-bottom-alt:auto;
466        margin-left:0in;
467        mso-pagination:widow-orphan;
468        mso-outline-level:5;
469        font-size:12.0pt;
470        font-family:"Times New Roman","serif";
471        mso-fareast-font-family:"Times New Roman";
472        mso-fareast-theme-font:minor-fareast;
473        color:#4F4FFF;
474        font-weight:bold;}
475p.MsoTitle, li.MsoTitle, div.MsoTitle
476        {mso-style-noshow:yes;
477        mso-style-priority:10;
478        mso-style-unhide:no;
479        mso-style-qformat:yes;
480        mso-style-link:"Title Char";
481        mso-style-next:Normal;
482        margin-top:0in;
483        margin-right:0in;
484        margin-bottom:15.0pt;
485        margin-left:0in;
486        mso-add-space:auto;
487        mso-pagination:widow-orphan;
488        border:none;
489        mso-border-bottom-alt:solid #4F81BD 1.0pt;
490        mso-border-bottom-themecolor:accent1;
491        padding:0in;
492        mso-padding-alt:0in 0in 4.0pt 0in;
493        font-size:26.0pt;
494        font-family:"Cambria","serif";
495        mso-ascii-font-family:Cambria;
496        mso-ascii-theme-font:major-latin;
497        mso-fareast-font-family:"Times New Roman";
498        mso-fareast-theme-font:major-fareast;
499        mso-hansi-font-family:Cambria;
500        mso-hansi-theme-font:major-latin;
501        mso-bidi-font-family:"Times New Roman";
502        mso-bidi-theme-font:major-bidi;
503        color:#17365D;
504        mso-themecolor:text2;
505        mso-themeshade:191;
506        letter-spacing:.25pt;
507        mso-font-kerning:14.0pt;}
508p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst
509        {mso-style-noshow:yes;
510        mso-style-priority:10;
511        mso-style-unhide:no;
512        mso-style-qformat:yes;
513        mso-style-link:"Title Char";
514        mso-style-next:Normal;
515        mso-style-type:export-only;
516        margin:0in;
517        margin-bottom:.0001pt;
518        mso-add-space:auto;
519        mso-pagination:widow-orphan;
520        border:none;
521        mso-border-bottom-alt:solid #4F81BD 1.0pt;
522        mso-border-bottom-themecolor:accent1;
523        padding:0in;
524        mso-padding-alt:0in 0in 4.0pt 0in;
525        font-size:26.0pt;
526        font-family:"Cambria","serif";
527        mso-ascii-font-family:Cambria;
528        mso-ascii-theme-font:major-latin;
529        mso-fareast-font-family:"Times New Roman";
530        mso-fareast-theme-font:major-fareast;
531        mso-hansi-font-family:Cambria;
532        mso-hansi-theme-font:major-latin;
533        mso-bidi-font-family:"Times New Roman";
534        mso-bidi-theme-font:major-bidi;
535        color:#17365D;
536        mso-themecolor:text2;
537        mso-themeshade:191;
538        letter-spacing:.25pt;
539        mso-font-kerning:14.0pt;}
540p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle
541        {mso-style-noshow:yes;
542        mso-style-priority:10;
543        mso-style-unhide:no;
544        mso-style-qformat:yes;
545        mso-style-link:"Title Char";
546        mso-style-next:Normal;
547        mso-style-type:export-only;
548        margin:0in;
549        margin-bottom:.0001pt;
550        mso-add-space:auto;
551        mso-pagination:widow-orphan;
552        border:none;
553        mso-border-bottom-alt:solid #4F81BD 1.0pt;
554        mso-border-bottom-themecolor:accent1;
555        padding:0in;
556        mso-padding-alt:0in 0in 4.0pt 0in;
557        font-size:26.0pt;
558        font-family:"Cambria","serif";
559        mso-ascii-font-family:Cambria;
560        mso-ascii-theme-font:major-latin;
561        mso-fareast-font-family:"Times New Roman";
562        mso-fareast-theme-font:major-fareast;
563        mso-hansi-font-family:Cambria;
564        mso-hansi-theme-font:major-latin;
565        mso-bidi-font-family:"Times New Roman";
566        mso-bidi-theme-font:major-bidi;
567        color:#17365D;
568        mso-themecolor:text2;
569        mso-themeshade:191;
570        letter-spacing:.25pt;
571        mso-font-kerning:14.0pt;}
572p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast
573        {mso-style-noshow:yes;
574        mso-style-priority:10;
575        mso-style-unhide:no;
576        mso-style-qformat:yes;
577        mso-style-link:"Title Char";
578        mso-style-next:Normal;
579        mso-style-type:export-only;
580        margin-top:0in;
581        margin-right:0in;
582        margin-bottom:15.0pt;
583        margin-left:0in;
584        mso-add-space:auto;
585        mso-pagination:widow-orphan;
586        border:none;
587        mso-border-bottom-alt:solid #4F81BD 1.0pt;
588        mso-border-bottom-themecolor:accent1;
589        padding:0in;
590        mso-padding-alt:0in 0in 4.0pt 0in;
591        font-size:26.0pt;
592        font-family:"Cambria","serif";
593        mso-ascii-font-family:Cambria;
594        mso-ascii-theme-font:major-latin;
595        mso-fareast-font-family:"Times New Roman";
596        mso-fareast-theme-font:major-fareast;
597        mso-hansi-font-family:Cambria;
598        mso-hansi-theme-font:major-latin;
599        mso-bidi-font-family:"Times New Roman";
600        mso-bidi-theme-font:major-bidi;
601        color:#17365D;
602        mso-themecolor:text2;
603        mso-themeshade:191;
604        letter-spacing:.25pt;
605        mso-font-kerning:14.0pt;}
606a:link, span.MsoHyperlink
607        {mso-style-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;
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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;
1922        mso-style-parent:"";
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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"
1945 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1946 stroked="f">
1947 <v:stroke joinstyle="miter"/>
1948 <v:formulas>
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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: Description: Description: Description: Description: Description: GSAS-II logo"
1966 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
1967 z-index:251657728;visibility:visible;mso-wrap-style:square;
1968 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0;
1969 mso-wrap-distance-top:0;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
1978alt="Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
1979v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
1980for GSAS-II<o:p></o:p></span></h1>
1981
1982<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1983is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1984operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1985window, which provides a hierarchical view of the current project; the <a
1986href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1987a particular section of the project, where values can be examined and changed;
1988the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1989representations of the results; and the console which has printout information
1990that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1991
1992<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1993
1994<h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2>
1995
1996<p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span
1997style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p>
1998
1999<p class=MsoNormal><strong><a
2000href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
2001style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2002
2003<p class=MsoNormal><strong><a
2004href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2005style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2006
2007<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
2008normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2009
2010<p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight:
2011normal'>Lab X-ray powder patt</span><span style='font-weight:normal'>ern
2012Rietveld refinement</span></a><o:p></o:p></strong></p>
2013
2014<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
2015style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
2016constraints</span></a><o:p></o:p></strong></p>
2017
2018<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
2019
2020<p class=MsoNormal><span class=GramE><strong>Crystal structure drawing (balls
2021&amp; sticks, etc.)</strong></span><strong> (<span class=GramE>future</span>)<o:p></o:p></strong></p>
2022
2023<p class=MsoNormal><strong>Crystal structure drawing (<span class=SpellE>polyhedra</span>)
2024(future)<o:p></o:p></strong></p>
2025
2026<p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p>
2027
2028<p class=MsoNormal><strong>Charge flipping structure <span class=GramE>solution(</span>future)<o:p></o:p></strong></p>
2029
2030<p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p>
2031
2032<div class=MsoNormal align=center style='text-align:center'><span
2033style='mso-fareast-font-family:"Times New Roman"'>
2034
2035<hr size=2 width="100%" align=center>
2036
2037</span></div>
2038
2039<div class=MsoNormal align=center style='text-align:center'><span
2040style='mso-fareast-font-family:"Times New Roman"'>
2041
2042<hr size=2 width="100%" align=center>
2043
2044</span></div>
2045
2046<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2047GSAS-II data tree<o:p></o:p></span></h2>
2048
2049<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2050is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2051Clicking on any item in the tree opens a window where information in that item
2052can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2053Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2054about how data were collected, such as the sample temperature <a
2055href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2056the selection to successive entries in the data tree; both the data window and
2057the associated plot (if any) will change.<o:p></o:p></span></p>
2058
2059<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2060
2061<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2062menus associated with this window provide access to many features of GSAS-II,
2063as outlined below: <o:p></o:p></span></p>
2064
2065<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2066style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2067style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2068&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2069
2070<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2071auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2072style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2073style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2074style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2075saved GSAS-II project file (name.gpx). If you currently have a project file open,
2076you are asked if it is OK to over write it; Cancel will cancel the process. <b
2077style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2078class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2079of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2080to e.g. name.gpx to overwrite the current version. Otherwise you may get
2081backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2082
2083<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2084auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2085style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2087style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2088project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2089tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2090there. Otherwise, you will be prompted for a new name in a file dialog (you may
2091change directory as well). If the file exists, you will be asked if it OK to
2092overwrite.</span></p>
2093
2094<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2095auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2096style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2097style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2098style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2099As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2100Save the current project to a new file. A file dialog will be shown to enter
2101the name (and change directory if desired). If the file exists, you will be
2102asked if it OK to overwrite.</span></p>
2103
2104<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2105auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2106style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2107style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2108style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2109project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2110&#8211; Close the current project; you will be asked if you want to save it
2111first.</span></p>
2112
2113<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2114auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2115style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2116style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2117style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2118style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2119program; if there is a current project you will be asked if you want to save it
2120first. Pressing the red X in the upper right (Windows) also exits (no save
2121option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2122
2123<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2124style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2125style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2126&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2127
2128<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2129auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2130style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2131style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2132style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
2133powder diffraction patterns (multiple patterns can be selected). GSAS-II can read
2134most of the old GSAS powder format files with the position in <span
2135class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
2136class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
2137where the position is in degrees 2-theta. As each file is read, an old GSAS
2138style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
2139class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
2140data set is assumed. </p>
2141
2142<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2143auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2144style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2145style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2146style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2147powder diffraction images (multiple patterns can be selected). GSAS-II can read
2148many different image file formats including MAR345 files, Quantum ADSC files, and
2149tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these formats
2150have data fields that should contain relevant information for the exposure
2151(e.g. wavelength), these are rarely filled in correctly by the data acquisition
2152software. Thus, you should have separately noted this information as it will be
2153needed</p>
2154
2155<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2156auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2157style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2158style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2159style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2160in a list of powder pattern peak positions as either a d-spacing table or a set
2161of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2162GSAS-II powder pattern indexing. </p>
2163
2164<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2165auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2166style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2167style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2168style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2169
2170<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2171auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2172style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2173style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2174style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2175
2176<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2177auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2178style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2179style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2180style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2181
2182<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2183auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2184style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2185style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2186style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2187creation of a new phase in the data tree (under Phases). You are first prompted
2188in a dialog box for a name to be assigned to the new phase. Then the <b
2189style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2190opened for this phase; you should first select the phase type, enter the space
2191group symbol and then lattice parameters. Note that nonstandard space group
2192symbols are permitted; there must be spaces between the axial fields (e.g. use
2193&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2194
2195<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2196auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2197style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2198style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2199style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2200phase from the data tree. A dialog box will present the list of phases; pick
2201one (or more) to delete.</p>
2202
2203<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2204auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2205style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2206style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2207</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2208data</b> &#8211; This might be a bad idea!!</p>
2209
2210<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2211auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2212style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2213style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2214</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2215data</b> &#8211; This will remove an item from the data tree. A dialog box with
2216a list of choices is presented.</p>
2217
2218<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2219style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2220style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2221&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2222
2223<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2224auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2225style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2226style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2227style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2228pair distribution function (PDF) controls for each powder pattern selected in
2229the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2230style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b>
2231for further directions.</p>
2232
2233<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2234auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2235style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2236style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2237style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2238&#8211; This shows a dialog box with all the parameters for your project; those
2239to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2240Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2241The total number of refined parameters is also shown at the top of the list.
2242The value of each parameter is also given. The parameter names are of the form
2243&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2244phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2245item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2246that for atom positions the value is not a <span class=SpellE>refinable</span>
2247parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2248class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2249atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2250&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2251
2252<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2253auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2254style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2255style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2256style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2257refinement (Pawley/Rietveld or single crystal) according to the controls set in
2258the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2259data tree item.</p>
2260
2261<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2262auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2263style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2264style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2265style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2266sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2267normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2268
2269<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2270style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2271style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2272&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2273
2274<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2275auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2276style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2277style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2278style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2279
2280<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2281auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2282style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2283style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2284style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2285reads one phase from a GSAS experiment file (name.EXP). The file name is found
2286in a directory dialog; you can change directories as needed. Only .EXP (or
2287.exp) file names are shown. If the selected file has more than one phase, a
2288dialog is shown with the choices; only one can be chosen. If you want more than
2289one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2290command. After selecting a phase, a dialog box is shown with the proposed phase
2291name. You can change it if desired.</p>
2292
2293<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2294auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2295style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2296style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2297style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2298the macromolecular phase information from a Protein Data Base file (name.PDB or
2299name.ENT). The file name is found in a directory dialog; you can change
2300directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2301the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2302follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2303dialog box is shown with the proposed phase name. You can change it if desired.</p>
2304
2305<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2306auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2307style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2308style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2309style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2310phase from a Crystallographic Information File (name.CIF). The file name is
2311found in a directory dialog; you can change directories as needed. Only .CIF
2312(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2313has more than one phase, a dialog is shown with the choices; only one can be
2314chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2315normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2316shown with the proposed phase name. You can change it if desired.</p>
2317
2318<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2319auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2320style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2321style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2322style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2323This reads one phase from a GSAS-II project file (name.GPX). The file name is
2324found in a directory dialog; you can change directories as needed. Only .GPX
2325(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2326has more than one phase, a dialog is shown with the choices; only one can be
2327chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2328normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2329selecting a phase, a dialog box is shown with the proposed phase name. You can
2330change it if desired.</p>
2331
2332<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2333auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2334style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2335style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2336style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2337
2338<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2339auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2340style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2341style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2342style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2343
2344<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2345style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2346style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2347&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2348
2349<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2350auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2351style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2352style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2353style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2354
2355<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2356auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2357style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2358style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2359style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2360
2361<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2362auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2363style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2364style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2365style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2366
2367<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2368auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2369style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2370style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2371style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2372
2373<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2374auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2375style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2376style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2377style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2378
2379<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2380text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2381style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2382style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2383style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2384
2385<div class=MsoNormal align=center style='text-align:center'><span
2386style='mso-fareast-font-family:"Times New Roman"'>
2387
2388<hr size=2 width="100%" align=center>
2389
2390</span></div>
2391
2392<div class=MsoNormal align=center style='text-align:center'><span
2393style='mso-fareast-font-family:"Times New Roman"'>
2394
2395<hr size=2 width="100%" align=center>
2396
2397</span></div>
2398
2399<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2400GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2401"Times New Roman"'><o:p></o:p></span></h2>
2402
2403<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2404information is displayed in the Data Editing Window, depending on which section
2405of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2406the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2407window described below. <o:p></o:p></span></p>
2408
2409<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2410style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2411
2412<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2413window provides a place for you to enter whatever text commentary you wish.
2414Each time you enter this window, a date/time entry is provided for you. A
2415possibly useful technique is to select a portion of the console window after a
2416refinement completes (it will contain refinement results with residuals, new
2417values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2418window so it becomes a part of your project file.<o:p></o:p></span></p>
2419
2420<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2421style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2422
2423<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2424window provides the main controls for the major calculations in GSAS-II. At
2425present only Refinement Controls are presented. <o:p></o:p></span></p>
2426
2427<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2428of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2429MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms
2430wrapped in python as provided in the <span class=SpellE>Scipy</span> package
2431and a third one is a python version utilizing only the <span class=SpellE>numpy</span>
2432package. The purpose is to </span>minimize the sum of the squares of M<span
2433style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
2434variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2435algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2436routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2437Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2438J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2439python/numpy version was developed by us based on the material in Numerical
2440Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2441&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2442algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2443
2444<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2445
2446<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2447style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2448style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2449style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2450uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2451Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2452perhaps a bit less accurate, but may be needed if the analytic functions are
2453not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2454x M (parameters x observations) and is much larger than the Hessian matrix
2455which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2456Hessian&#8217; for routine work.<o:p></o:p></span></p>
2457
2458<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2459style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2460style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2461style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2462delta-M/M&#8217; for convergence; the refinement will stop when the change in
2463the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2464force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2465(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2466to 1.0.<o:p></o:p></span></p>
2467
2468<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2469style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2470style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2471style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2472Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2473the first cycle of refinement. This value is modified by the least squares
2474routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2475needed if your initial <span class=GramE>refinement</span> trials immediately
2476diverge, however make sure your starting parameter values are
2477&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2478performance.<o:p></o:p></span></p>
2479
2480<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2481style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2482style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2483style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2484Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2485number of least squares cycles to be performed. Least squares cycles are
2486determined by the number of times a new Hessian matrix is computes; the <span
2487class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2488several times between cycles as it finds the optimal value of the Marquardt
2489coefficient. Choices are given in the pull down selection; the default is 3
2490cycles.<o:p></o:p></span></p>
2491
2492<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2493style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2494style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2495style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2496refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2497
2498<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2499
2500<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2501window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2502shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2503
2504<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2505
2506<span style='mso-bookmark:Constraints'></span>
2507
2508<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2509window shows the constraints to be used in a refinement. It is organized into
2510three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2511parameters that describe aspects of the crystalline phases to be used in the
2512refinement (e.g. atom coordinates, thermal motion and site fraction
2513parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2514aspects of the pattern that depend on both the phase and the data set used in
2515the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2516"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2517and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2518that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2519and Y).<o:p></o:p></span></p>
2520
2521<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2522
2523<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2524style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2525style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2526style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2527parameter types you wish to constrain. Each will have the same possibilities in
2528the &#8216;Edit menu.<o:p></o:p></span></p>
2529
2530<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2531style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2532style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2533style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2534style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2535
2536<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2537auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2538style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2539style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2540class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2541"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2542style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2543style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2544that you wish to remain fixed although other parameters of the same type may be
2545selected as a group for refinement. For example, if the space group for a phase
2546has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2547is arbitrary and should be selected for a Hold to keep the structure from
2548drifting up or down the y-axis during refinement. If selected, a dialog box
2549will appear showing the list of available parameters; select one and then OK to
2550implement it, Cancel will cancel the operation. The held parameter will be
2551shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2552button can be used to remove it.<o:p></o:p></span></p>
2553
2554<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2555auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2556style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2557style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2558style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2559equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2560&#8211; select a list of parameters that should have the same value (possibly
2561with a non-unitary multiplier for some). Examples are a list of atoms with the
2562same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2563coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2564selected, a dialog box will appear with a list of the available parameters.
2565Select one and press OK; a second dialog box will appear with only those
2566parameters that can be made equivalent to the first one. Choose those and press
2567OK. Cancel in either dialog will cancel the operation. The equivalenced
2568parameters 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;
2569usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2570button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2571equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2572
2573<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2574auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2575style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2576style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2577style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2578constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2579&#8211; select a list of parameters whose sum (with possible non-unitary
2580multipliers) is fixed. For example, the sum of site fractions for atoms on the
2581same site could be fixed to unity. If selected, a dialog box will appear with a
2582list of the available parameters. Select one and press OK; a second dialog box
2583will appear with only those parameters that can be used in a constraint with
2584the first one. Choose those and press OK. Cancel in either dialog will cancel
2585the operation. The equivalenced parameters will show as an equation of the form
2586M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2587multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2588the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2589constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2590
2591<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2592text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2593style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2594style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2595style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2596function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2597&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2598the result of the sum can be varied in the refinement. The keyword
2599&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2600indicates your choice to refine the result of the sum. A Delete button can be
2601used to remove it.<o:p></o:p></span></p>
2602
2603<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2604style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2605
2606<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2607window is empty<o:p></o:p></span></p>
2608
2609<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2610
2611<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2612just yet<o:p></o:p></span></p>
2613
2614<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2615style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2616
2617<p class=MsoNormal>In this window is tabulated the results of your sequential
2618refinement. The columns are the parameter names; the naming convention is
2619&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2620h is the histogram number, name is the parameter name, and num (if needed) is
2621the item number (e.g. atom number). The rows are the data sets used in the
2622sequential refinement.</p>
2623
2624<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2625
2626<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2627
2628<h3>Histograms</h3>
2629
2630<p class=MsoNormal>These are shown in the data tree with a prefix of
2631&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2632&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2633constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2634analysis. Selection of these items does not produce any information in the data
2635window but does display the data in the Plots Window. They are described below.</p>
2636
2637<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2638
2639<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2640a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2641href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2642tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2643variety of subcategories in the tree are shown. The items that are shown depend
2644on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2645
2646<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2647style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2648
2649<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2650style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2651"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2652</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2653&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2654
2655<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2656text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2657style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2658style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2659style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2660style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2661&#8211; this produces a &#8216;normal probability&#8217; plot for the
2662refinement result as bounded by the limits. The slope and intercept of the
2663curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2664Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2665style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2666style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2667"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2668style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2669plot status line. The slope is the square root of GOF for the best fit set of
2670data points (~68% of the data).<o:p></o:p></span></span></p>
2671
2672<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2673
2674<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2675whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2676file was read by GSAS-II. If you are lucky, there will be useful information
2677here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
2678will be blank. The text is read-only in that anything you try to enter here is
2679not saved.</span></p>
2680
2681<span style='mso-bookmark:Comments'></span>
2682
2683<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2684style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2685
2686<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2687window shows the limits in position to be used in any fitting for this powder
2688pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2689maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2690needed.<o:p></o:p></span></p>
2691
2692<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2693
2694<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2695style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2696style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2697style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2698class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2699&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2700changed (the background on the box will be blue or have a black border or a vertical
2701bar will appear in the value), then enter the new value and press Enter or
2702click the mouse elsewhere in the Background window. This will set the new
2703value.<o:p></o:p></span></p>
2704
2705<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2706style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2707style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2708style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2709&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2710(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2711line) into position. A left or right mouse click on a data point on the plot
2712will set the associated limit. In either case the appropriate value on the
2713&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2714
2715<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2716style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2717style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2718style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2719style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2720
2721<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2722text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2723style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2724style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2725style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2726style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2727limits shown to other selected powder patterns. If used, a dialog box (Copy
2728Parameters) will appear showing the list of available powder patterns, you can
2729copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2730copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2731&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2732
2733<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2734
2735<span style='mso-bookmark:Background'></span>
2736
2737<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2738window shows the choice of background functions and coefficients to be used in
2739fitting this powder pattern. There are three types of contributions available
2740for the background:<o:p></o:p></span></p>
2741
2742<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2743A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2744&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2745interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2746interpolate&#8217;). The latter three select fixed points with spacing that is <span
2747class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2748x-coordinate. The set of magnitudes at each point then comprise the background
2749variables. All are refined when refine is selected.<o:p></o:p></span></p>
2750
2751<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2752"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2753form:<o:p></o:p></span></p>
2754
2755<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2756"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
2757 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2758 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
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:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2762     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2763     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2764     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2765     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2766     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2767     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2768     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
2769   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2770   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2771   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2772   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2773   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2774   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2775   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2776     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2777     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2778     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2779     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2780     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2781     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2782     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
2783style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2784"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2785top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2786EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2787 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2788 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2789</v:shape><![endif]--><![if !vml]><img width=178 height=51
2790src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2791style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27921'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2793
2794<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2795style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2796variables and can be individually selected as desired; Q = 2</span><span
2797style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2798style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2799
2800<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2801A set of individual Bragg peaks using the pseudo-Voigt profile function as
2802their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2803&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2804&#8216;gam&#8217;; each can be selected for refinement. The default values for
2805sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2806to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2807
2808<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2809
2810<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2811style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2812style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2813style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2814style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2815
2816<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2817auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2818style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2819style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2820style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2821style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2822background parameters shown to other selected powder patterns. If used, a
2823dialog box (Copy Parameters) will appear showing the list of available powder
2824patterns, you can copy the background parameters to any or all of them; select
2825&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2826do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2827
2828<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2829auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2830style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2831style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2832style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2833flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2834<span class=GramE>this copies</span> only the refinement flags shown to other
2835selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2836appear showing the list of available powder patterns, you can copy the
2837refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2838to all patterns. Then select &#8216;OK&#8217; to do the copy;
2839&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2840
2841<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2842style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2843style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2844style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2845Background function from the pull down tab.<o:p></o:p></span></p>
2846
2847<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2848style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2849style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2850style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2851refine the background coefficients.<o:p></o:p></span></p>
2852
2853<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2854style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2855style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2856style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2857background coefficients to be used (1-36).<o:p></o:p></span></p>
2858
2859<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2860style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2861style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2862style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2863background coefficient values. Enter the value then press Enter or click the
2864mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2865
2866<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2867style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2868style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2869style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2870Debye scattering terms into the background. For each one you should enter a
2871sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2872an amorphous phase is appropriate. Select parameters to refine; usually start
2873with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2874
2875<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2876style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2877style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2878style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2879Bragg peaks into the background. For each you should specify at least the
2880position. Select parameters to refine; usually start with the &#8216;<span
2881class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2882
2883<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2884"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2885style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2886
2887<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2888window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2889
2890<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2891
2892<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2893style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2894style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2895style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2896style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2897
2898<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2899auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2900style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2901style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2902style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2903profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2904loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2905replacing the existing instrument parameter values. All refinement flags are
2906unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2907
2908<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2909auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2910style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2911style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2912style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2913profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2914the current instrument parameter values in a simple text file (<span
2915class=SpellE>name.instprm</span>); you will be prompted for the file name
2916&#8211; do not change the extension. This file may be edited but heed the
2917warning to not change the parameter names, the order of the parameter records
2918or add new parameter records as this will invalidate the file. You may only
2919change the numeric values if necessary. You can change or add comment records
2920(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2921
2922<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2923auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2924style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2925style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2926style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2927profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2928resets the values for the instrument parameters to the default values shown in
2929parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2930
2931<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2932auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2933style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2934style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2935style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2936style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2937instrument parameters shown to other selected powder patterns. If used, a
2938dialog box (Copy parameters) will appear showing the list of available powder
2939patterns, you can copy the instrument parameters to any or all of them; select
2940&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2941do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2942work for instrument parameters that are commensurate with the one that is
2943shown, e.g. single radiation patterns will not be updated from 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"'>1</span></sub><span
2946style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2947style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2948style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2949style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2950
2951<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2952auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2953style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2954style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2955style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2956flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2957&#8211; this copies the instrument parameter refinement flags shown to other
2958selected powder patterns. If used, a dialog box (Copy refinement flags) will
2959appear showing the list of available powder patterns, you can copy the
2960instrument parameter refinement flags to any or all of them; select
2961&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2962do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2963work for instrument parameters that are commensurate with the one that is
2964shown, e.g. single radiation patterns will not be updated from 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"'>1</span></sub><span
2967style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2968style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2969style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2970style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2971
2972<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2973auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2974style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2975style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2976style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2977radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2978&#8211; this changes the radiation between single wavelength (e.g. for
2979synchrotron source) and K</span><sub><span style='font-family:Symbol;
2980mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2981style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2982style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2983style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2984style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2985style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2986laboratory tube source).<o:p></o:p></span></p>
2987
2988<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2989style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2990style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2991style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2992profile coefficients<o:p></o:p></span></p>
2993
2994<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2995style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2996style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2997style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2998profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2999circumstances some choices are ignored e.g. Zero is not refined during peak
3000fitting. Also some choices may lead to unstable refinement, e.g. <span
3001class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
3002&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
3003style='mso-fareast-font-family:"Times New Roman"'> display for highly
3004correlated parameters.<o:p></o:p></span></p>
3005
3006<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
3007"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
3008
3009<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3010window show the various sample dependent parameters for this powder pattern.
3011The presence of a refine button indicates which can be refined while others are
3012fixed. All values can be changed in this window.<o:p></o:p></span></p>
3013
3014<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
3015Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
3016I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
3017style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3018color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3019
3020<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3021style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3022style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3023normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3024style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3025style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3026normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3027style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3028style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3029style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3030style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3031normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3032
3033<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3034text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3035style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3036style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3037style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3038style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3039style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3040style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3041sample parameters shown to other selected powder patterns. If used, a dialog
3042box (Copy parameters) will appear showing the list of available powder
3043patterns, you can copy the sample parameters to any or all of them; select
3044&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3045do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3046
3047<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3048text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3049style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3050style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3051style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3052style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3053flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
3054style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
3055- &#8211; this copies the sample parameter refinement flags shown to other
3056selected powder patterns. If used, a dialog box (Copy refinement flags) will
3057appear showing the list of available powder patterns, you can copy the sample
3058parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3059copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3060&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3061
3062<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3063style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3064style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3065
3066<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3067window shows the list of peaks that will be used by the peak fitting
3068refinement. It is filled by picking peaks in the powder pattern displayed in
3069the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3070
3071<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3072style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3073can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3074style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3075normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3076
3077<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3078style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3079"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3080bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3081</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3082color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3083style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3084color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3085style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3086normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3087
3088<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3089tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3090style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3091normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3092style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3093class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3094style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3095color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3096peak parameters, background and instrument parameter values varied in the last
3097peak fitting refinement back to their original values. Use this to recover from
3098a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3099only a single level of recovery available.<o:p></o:p></span></span></h5>
3100
3101<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3102tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3103style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3104normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3105style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3106style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3107class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3108style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3109normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3110peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3111background parameters and instrument parameters with refine checked will be
3112varied in this refinement. The refinement will proceed until convergence. We
3113suggest you vary the intensity along with the background first (the default),
3114then vary the position and instrument parameters after. The order will depend
3115on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3116&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3117difference curve displayed in the GSASII Plots window. If individual peaks show
3118peak widths that are widely different, their individual sigma and gamma
3119parameters may be refined. If the refinement results in negative peak
3120coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3121style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3122"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3123style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3124color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3125and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3126
3127<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3128tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3129style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3130normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3131style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3132style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3133cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3134style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3135normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3136squares refinement. This can be used in difficult cases to get a refinement
3137started toward convergence.<o:p></o:p></span></span></h5>
3138
3139<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3140tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3141style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3142normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3143style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3144style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3145and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3146style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3147normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3148gamma to those computed from the instrument parameters U, V, W, <span
3149class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3150
3151<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3152tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3153style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3154normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3155style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3156style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3157style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3158color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3159removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3160
3161<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3162style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3163"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3164bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3165</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3166color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3167peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3168near to the top point on a peak, 2) press the left mouse button. The selected
3169peak will be added to the Peak List in its correct sorted order and a blue
3170vertical line will be plotted on that position. Be sure that the Zoom/Pan
3171buttons are not selected on the Plot window. We recommend that you begin
3172picking peaks from the right side of the pattern; that way the tool tip
3173won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3174
3175<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3176style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3177"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3178bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3179</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3180color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3181Peak List item using the mouse on the plot by: 1) position the pointer on the
3182blue line for the peak you wish to move, 2) holding the left mouse button down,
3183drag to the desired position &amp; then release the button. The peak line will
3184be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3185selected on the Plot window.<o:p></o:p></span></span></h5>
3186
3187<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3188style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3189"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3190</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3191can change individual peak coefficient values. Enter the value then press Enter
3192or Tab or click the mouse elsewhere in the Peak List window. This will set the
3193new value.<o:p></o:p></span></span></p>
3194
3195<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3196style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3197"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3198</span></span></span><![endif]>You can change the refine flags either by
3199clicking on the box or by selecting one and then selecting the column (a single
3200click on the column heading; column should show in blue). Then type
3201&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3202style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3203
3204<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3205style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3206"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3207bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3208</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3209color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3210peaks in the Peak List by selecting rows (should appear in blue) and then
3211pressing the Delete key. You can also delete peaks using the mouse on the plot
3212by positioning the pointer on the blue line for the peak to be deleted and then
3213pressing the right mouse button. The blue line should vanish and the
3214corresponding peak will be removed from the Peak List. Be sure that the
3215Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3216
3217<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3218"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3219"Times New Roman"'><o:p></o:p></span></h4>
3220
3221<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3222window shows the list of peaks that will be used for indexing (see </span><a
3223href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3224Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3225It must be filled before indexing can proceed. When indexing is completed, this
3226display will show the resulting <span class=SpellE>hkl</span> values for every
3227indexed reflection along with the calculated d-spacing (&#8216;d-<span
3228class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3229href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3230Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3231
3232<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3233
3234<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3235style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3236style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3237style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3238style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3239style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3240positions &amp; intensities from the </span><a href="#Peak_List"><span
3241style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3242style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3243the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3244Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3245href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3246Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3247table to the position shown here.<o:p></o:p></span></p>
3248
3249<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3250style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3251style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3252style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3253peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3254
3255<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3256style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3257"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3258"Times New Roman"'><o:p></o:p></span></h4>
3259
3260<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3261window... <o:p></o:p></span></p>
3262
3263<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3264List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3265
3266<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3267window... <o:p></o:p></span></p>
3268
3269<h3>Single Crystal Histograms - HKLF</h3>
3270
3271<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3272Functions - PDF<o:p></o:p></span></h3>
3273
3274<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3275Controls<o:p></o:p></span></h4>
3276
3277<p class=MsoNormal>This window </p>
3278
3279<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3280"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3281<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>
3282
3283<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3284window... <o:p></o:p></span></p>
3285
3286<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3287IMG<o:p></o:p></span></h3>
3288
3289<h4><a name=Images>Image Controls</a></h4>
3290
3291<span style='mso-bookmark:Images'></span>
3292
3293<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3294window... <o:p></o:p></span></p>
3295
3296<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3297mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3298style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3299name="Image_Masks"></a><![endif]></h4>
3300
3301<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3302window... <o:p></o:p></span></p>
3303
3304<h3>Phase Windows</h3>
3305
3306<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3307a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3308shown for that selected phase in a tabbed window. Clicking on each tab raises
3309the windows listed below. Each tab is identified by the underlined phrase in
3310the following:<o:p></o:p></span></p>
3311
3312<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3313Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3314
3315<span style='mso-bookmark:General'></span>
3316
3317<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3318gives overall parameters describing the phase such as the name, space group,
3319the unit cell parameters and overall parameters for the atom present in the
3320phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3321
3322<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3323
3324<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3325style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3326style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3327style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3328style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3329shows computations that are possible for this phase.<o:p></o:p></span></p>
3330
3331<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3332auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3333style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3334style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3335style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3336maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3337compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3338
3339<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3340auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3341style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3342style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3343style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3344maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3345search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3346% of the maximum will be found in this procedure; they will be printed on the
3347console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3348page. This page will immediately be shown and the peaks will be shown on the
3349structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3350
3351<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3354style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3355of the General page that can be changed are Phase name, Phase type, Space
3356group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3357
3358<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3359auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3360style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3361style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3362style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3363name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3364this is the name assigned to this phase. It should only be changed when the
3365phase is initialized or imported.<u><o:p></o:p></u></span></p>
3366
3367<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3368auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3369style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3370style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3371style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3372type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3373can only be set when there are no atoms in the Atoms page for this phase.
3374Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3375
3376<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3377auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3378style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3379style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3380style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3381group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3382&#8211; this should be set when the phase is initialized; it can be changed
3383later. Be careful about the impact on Atom site symmetry and multiplicity if
3384you do. GSAS-II will recognize any legal space group symbol using the short
3385Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3386fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3387with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3388setting where the center of inversion is located at the origin. The choice of
3389space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3390
3391<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3392auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3393style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3394style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3395style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3396unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3397&#8211; set this flag to refine the unit cell parameters in a Rietveld or Pawley
3398refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
3399in the expression</span><i style='mso-bidi-font-style:normal'><span
3400style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><br>
3401</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3402    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3403    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3404    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3407    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3408    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3409  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3410  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3411    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3412    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3413    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3416    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3417    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3418    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3419    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3420    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3423    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3424    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3425  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3426  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3427    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3428    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3429    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3432    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3433    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3434    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3435    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3436    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3439    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3440    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3441  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3442  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3443    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3444    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3445    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3448    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3449    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3450    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3451    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3452    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3455    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3456    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3457  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3458  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3459    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3460    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3461    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3464    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3465    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3466  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3467  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
3468    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3469    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3470    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3473    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3474    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3475  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3476  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
3477    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3478    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3479    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3482    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3483    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3484  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3485  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3486style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3487"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3488mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3489 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3490 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3491</v:shape><![endif]--><![if !vml]><img width=335 height=19
3492src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3493style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3494
3495<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3496auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3497style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3498style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3499class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3500"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3501style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3502style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3503only those permitted by the space group are shown. The volume is computed from
3504the values entered.<u><o:p></o:p></u></span></p>
3505
3506<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3507style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3508style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3509style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3510Atoms page then the Elements table is shown next on the General page; you may
3511select the isotope (only relevant for neutron diffraction experiments). The
3512density is computed depending on this choice, the unit cell volume and the atom
3513fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3514
3515<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3516style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3517style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3518style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3519shown at the bottom of the General page. A completed Rietveld or Pawley
3520refinement is required before a Fourier map can be computed. Select the desired
3521type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3522
3523<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3524</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3525
3526<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3527
3528<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3529style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3530mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3531line-break'>
3532<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3533<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3534
3535<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3536
3537<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3538
3539<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3540
3541<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3542
3543<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3544
3545<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3546
3547<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3548
3549<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3550
3551<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3552rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3553ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3554menus for this tab; Edit allows modification of the list of atoms to be
3555rendered and Compute gives some options for geometric characterization of
3556selected atoms.</p>
3557
3558<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3559
3560<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3561style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3562style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3563Selection from table: select individual atoms by a left click of the mouse when
3564pointed at the left most column (atom numbers) of the atom display; hold down
3565the Ctrl key to add to your selection; a previously selected atom will be
3566deselected. A selected atom will be highlighted (in grey) and the atom will be
3567shown in green on the plot. Selection without the Ctrl key will clear previous
3568selections. A double left click in the (empty) upper left box will select or
3569deselect all atoms.</p>
3570
3571<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3572style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3573style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3574Selection from plot: select an atom by a left click of the mouse while holding
3575down the Shift key and pointed at the center of the displayed atom, it will
3576turn green if successful and the corresponding entry in the table will be
3577highlighted (in grey); any previous selections will be cleared. To add to .your
3578selection use the right mouse button (Shift down); if a previously selection is
3579reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3580normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3581to select, they may be selected inadvertently. You can rotate the structure
3582anytime during the selection process.</p>
3583
3584<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3585style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3586style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3587left click a Name, Type and Sym Op column heading: a dialog box is shown that
3588allows you to select all atoms with that characteristic. For example, selecting
3589the Type column will show all the atom types; your choice will then cause all
3590those atoms to be selected.</p>
3591
3592<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3593style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3594style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3595left click a Style, Label or Color column: a dialog box is shown that allows
3596you to select a rendering option for all the atoms. For Color a color choice
3597dialog is displayed that covers the entire color spectrum. Choose a color by
3598any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3599select that color in the Custom colors display and then press OK. <b
3600style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3601have the same color and for Style &#8220;blank&#8221; means the atoms
3602aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3603
3604<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3605style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3606style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3607&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3608shows operations that can be performed on your selected atoms. You must select
3609one or more atoms before using any of the menu items.</p>
3610
3611<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3612auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3613style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3614style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3615style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3616style for the selected atoms</p>
3617
3618<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3619auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3620style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3621style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3622style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3623be shown as a label for each atom in selection. The choices are: none, type,
3624name or number.</p>
3625
3626<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3627auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3628style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3629style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3630style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3631the atom; a color choice dialog is displayed that covers the entire color
3632spectrum. Choose a color by any of the means available, press the &#8220;Add to
3633Custom Colors&#8221;, select that color in the Custom colors display and then
3634press OK.</p>
3635
3636<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3637auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3638style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3639style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3640style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3641atom color back to their defaults for the selected atoms.</p>
3642
3643<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3644auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3645style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3646style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3647style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3648view point to the first atom in the selection.</p>
3649
3650<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3651auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3652style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3653style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3654style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3655atoms, new ones are added to the bottom of the list after applying your choice
3656of symmetry operator and unit cell translation selected via a dialog display.
3657Duplicate atom positions are not retained. Any anisotropic thermal displacement
3658parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3659
3660<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3661auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3662style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3663style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3664style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3665symmetry operator and unit cell translation to the set of selected atoms; they
3666will be changed in place. Any anisotropic thermal displacement parameters (<span
3667class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3668
3669<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3670auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3671style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3672style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3673style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3674currently in the draw atom table, find all atoms that belong in the
3675coordination sphere around the selected atoms via unit cell translations. NB:
3676symmetry operations are not used in this search.</p>
3677
3678<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3679auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3680style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3681style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3682</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3683cell</b> - using the atoms currently selected from the draw atom table, find
3684all atoms that fall inside or on the edge/surface/corners of the unit cell.
3685This operation is frequently performed before Fill CN-sphere.</p>
3686
3687<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3688auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3689style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3690style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3691</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete atoms</b>
3692&#8211; clear the entire draw atom table; it is then refilled from the Atoms
3693table. You should do this operation after any changes in the Atoms table, e.g.
3694by a structure refinement.</p>
3695
3696<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3697style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3698style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3699&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3700menu gives a choice of geometric calculations to be performed with the selected
3701atoms. You must select the appropriate number of atoms for these to work and
3702the computation is done for the atoms in selection order.</p>
3703
3704<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3705auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3706style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3707style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3708style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3709normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3710a distance, angle or torsion angle will be found for them. The angles are
3711computed for the atoms in their selection order. The torsion angle is a right
3712hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3713estimated standard deviation is given for the calculated value if a current
3714variance-covariance matrix is available. The result is shown on the console
3715window; it may be cut &amp; pasted to another application (e.g. Microsoft
3716Word).</p>
3717
3718<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3719text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3720style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3721style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3722style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3723are selected, a best plane is determined for them. The result is shown on the
3724console window; it may be cut &amp; pasted to another application (e.g.
3725Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3726plane coordinates where the largest range is over the X-axis and the smallest
3727is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3728center of the selection. Root mean square displacements along each axis for the
3729best plane are also listed. The Z-axis RMS value indicates the flatness of the
3730proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3731(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3732atoms with respect to a coordinate system where the X-axis is along the longest
3733axis of the atom grouping and the Z-axis is along the shortest distance. The
3734origin is at the <span class=SpellE>unweighted</span> center of the selected
3735atoms.</p>
3736
3737<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3738
3739<p class=MsoNormal>This gives the list of reflections used in a Pawley
3740refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3741style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3742style='color:#00B0F0'>.</span></p>
3743
3744<h5>What can I do here?</h5>
3745
3746<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3747style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3748style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3749<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3750
3751<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3752auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3753style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3754style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3755style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3756new set of Pawley reflections, over writing any preexisting Pawley set. They
3757are generated with d-<span class=SpellE>spacings</span> larger than the limit
3758set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3759for this phase. By default the refine flags are not set and the <span
3760class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3761class=SpellE>hkl</span>) = 100.0.</p>
3762
3763<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3764auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3765style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3766style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3767style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3768an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3769class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3770reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3771the <a href="#Data">Data</a> tab.</p>
3772
3773<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3774auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3775style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3776style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3777style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3778set of Pawley reflections.</p>
3779
3780<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3781style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3782style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3783can change the refine flags either by clicking on the box or by selecting one
3784and then selecting the column (a single click on the column heading). Then type
3785&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3786You should deselect those reflections that fall below the lower limit or above
3787the upper limit of the powder pattern otherwise you may have a singular matrix
3788error in your Pawley refinement.</p>
3789
3790<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3791style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3792style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3793can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3794class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3795typing in the new value and then pressing enter or selecting somewhere else in
3796the table.</p>
3797
3798<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3799
3800<h4><a name="Map_peaks">Map peaks</a></h4>
3801
3802<span style='mso-bookmark:Map_peaks'></span>
3803
3804<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3805found within the unit cell from the last Fourier map search sorted in order of
3806decreasing peak magnitude. The crystal structure plot shows each peak position
3807as a white 3-D cross.</p>
3808
3809<h5>What can I do here?</h5>
3810
3811<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3814a peak with a left click on the left hand row number, hold Ctrl key down to add
3815more peaks to your selection. Each peak selected will show as a green 3-D cross
3816on the crystal structure plot.</p>
3817
3818<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3819style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3820style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3821<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3822style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3823
3824<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3825auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3826style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3827style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3828style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3829peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3830Atoms</a> list. They will be appended to the end of each list each with the
3831name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3832drawn as small white spheres at their respective positions in the structure
3833drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3834change the atom type to whatever element you desire; it will be renamed
3835automatically.</p>
3836
3837<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3838text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3841style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3842the peaks in the map peak list; they are also removed from the crystal
3843structure drawing plot.</p>
3844
3845<div class=MsoNormal align=center style='text-align:center'><span
3846style='mso-fareast-font-family:"Times New Roman"'>
3847
3848<hr size=2 width="100%" align=center>
3849
3850</span></div>
3851
3852<div class=MsoNormal align=center style='text-align:center'><span
3853style='mso-fareast-font-family:"Times New Roman"'>
3854
3855<hr size=2 width="100%" align=center>
3856
3857</span></div>
3858
3859<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3860GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3861style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3862style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3863
3864<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3865window presents all the graphical material as a multipage tabbed set of plots
3866utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3867has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3868
3869<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3870mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3871src=graphbar.jpg
3872alt="Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3873style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3874
3875<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3876are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3877
3878<ul type=disc>
3879 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3880     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3881     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3882 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3883     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3884     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3885 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3886     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3887     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3888     of the Back button <o:p></o:p></span></li>
3889 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3890     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3891     "Times New Roman"'>Pan: allows you to control panning across the plot
3892     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3893 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3894     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3895     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3896     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3897 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3898     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3899     "Times New Roman"'>Save: allows you to save the currently displayed plot
3900     in one of several graphical formats suitable for printing or insertion in
3901     a document.<o:p></o:p></span></li>
3902 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3903     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3904     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3905</ul>
3906
3907<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3908
3909<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3910the toolbar may be a status bar that on the left may show either an instruction
3911for a keyed input or a pull down selection of keyed input; on the right may be
3912displayed position dependent information that is updated as the mouse is moved
3913over the plot region.<o:p></o:p></span></p>
3914
3915<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3916
3917<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3918specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3919
3920<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3921
3922<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3923powder patterns that are part of your project are shown on this page. They can be
3924displayed as a stack of powder patterns, just a single pattern or as a contour
3925image of the peak intensities. What can be done here will depend on which is
3926displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
3927
3928<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3929
3930<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3931style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3932style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3933style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3934the plot, the plot status line will show the cursor position in 2</span><span
3935style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3936style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3937intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3938Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3939style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3940
3941<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3942style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3943style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3944the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3945press&#8217; </b>&#8211; you can either press the key on the key board or select
3946from the pull down menu. For line plots:</p>
3947
3948<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3949auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3950style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3951style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3952class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3953style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3954plot of multiple powder profiles, increase the offset to the left. Does not
3955apply if only one pattern.</p>
3956
3957<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3958auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3959style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3960style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3961class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3962style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3963of multiple powder profiles, increase the offset to the left. Does not apply if
3964only one pattern.</p>
3965
3966<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3967auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3968style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3969style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3970class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3971style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3972multiple powder profiles, increase the offset down. Does not apply if only one
3973pattern.</p>
3974
3975<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3976auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3977style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3978style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3979class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3980style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3981multiple powder profiles, increase the offset up. Does not apply if only one
3982pattern.</p>
3983
3984<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3985auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3986style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3987style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3988class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3989style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3990of multiple powder profiles, reset to no offset. Does not apply if only one
3991pattern.</p>
3992
3993<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3994auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3995style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3996style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3997class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3998style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3999y-axis to be the log10 of the intensity; difference curve is not shown for
4000log(I) on.</p>
4001
4002<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4003auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4004style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
4005style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4006class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
4007style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
4008powder profiles, then a contour plot is shown of the observed intensities. All
4009data sets must be the same length as the first one to be included in the
4010contour plot.</p>
4011
4012<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4013auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4014style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4015style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4016style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4017x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4018style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4019taken at different energies on the same x-axis scale.</p>
4020
4021<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4022auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4023style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4024style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4025</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4026normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4027&#8211; for multiple powder profiles, this will show only the one selected from
4028the data tree. The offset options are not active.</p>
4029
4030<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4031auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4032style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
4033style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4034</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4035normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4036sig</b> &#8211; for the pattern selected from the data tree, this will divide
4037the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4038for the data points. Other data sets are not shown.</p>
4039
4040<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4041auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4042style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
4043style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4044style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4045profiles, only the observed curve is shown.</p>
4046
4047<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4048style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4049style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4050style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4051line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4052
4053<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4054auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4055style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
4056style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4057class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4058"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
4059style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
4060style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
4061level chosen for the highest contour color.<o:p></o:p></span></p>
4062
4063<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4064auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4065style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4066style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4067style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4068raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4069&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4070
4071<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4072auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4075class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4076"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
4077style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
4078style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4079method used to represent the contours. If selected a dialog box appears with
4080all the possible choices. Default is &#8216;nearest&#8217;; the other useful
4081choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
4082
4083<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4084auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4085style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4087class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4088"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
4089style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
4090style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4091color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
4092black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
4093black on white) or &#8216;gray&#8217; (for white on black). Others can be very
4094colorful (but not useful)!<o:p></o:p></span></p>
4095
4096<p class=MsoListParagraphCxSpMiddle style='margin-