source: trunk/help/gsasII.html @ 729

Last change on this file since 729 was 729, checked in by vondreele, 10 years ago

minor fixes to mapPeaks plotting
begin to add charge flipping tutorial

  • Property svn:keywords set to Author
  • Property svn:mime-type set to text/html
File size: 224.4 KB
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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>
1949  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
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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: 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: 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 href="Fit%20Peaks.htm"><span style='font-weight:
2000normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2001
2002<p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight:
2003normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p>
2004
2005<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
2006style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
2007constraints</span></a><o:p></o:p></strong></p>
2008
2009<p class=MsoNormal><strong><a href="Combined%20refinement.htm"><span
2010style='font-weight:normal'>Combined neutron x-ray Rietveld refinement and
2011Fourier maps</span></a><o:p></o:p></strong></p>
2012
2013<p class=MsoNormal><strong><a
2014href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
2015style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2016
2017<p class=MsoNormal><strong><a
2018href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2019style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2020
2021<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
2022
2023<p class=MsoNormal><strong><a href="Charge%20Flipping%20in%20GSAS.htm"><span
2024style='font-weight:normal'>Charge flipping structure solution</span></a>
2025(future)<o:p></o:p></strong></p>
2026
2027<div class=MsoNormal align=center style='text-align:center'><span
2028style='mso-fareast-font-family:"Times New Roman"'>
2029
2030<hr size=2 width="100%" align=center>
2031
2032</span></div>
2033
2034<div class=MsoNormal align=center style='text-align:center'><span
2035style='mso-fareast-font-family:"Times New Roman"'>
2036
2037<hr size=2 width="100%" align=center>
2038
2039</span></div>
2040
2041<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2042GSAS-II data tree<o:p></o:p></span></h2>
2043
2044<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2045is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2046Clicking on any item in the tree opens a window where information in that item
2047can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2048Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2049about how data were collected, such as the sample temperature <a
2050href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2051the selection to successive entries in the data tree; both the data window and
2052the associated plot (if any) will change.<o:p></o:p></span></p>
2053
2054<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2055
2056<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2057menus associated with this window provide access to many features of GSAS-II,
2058as outlined below: <o:p></o:p></span></p>
2059
2060<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2061style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2062style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2063&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2064
2065<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2066auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2067style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2068style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2069style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2070saved GSAS-II project file (name.gpx). If you currently have a project file
2071open, you are asked if it is OK to over write it; Cancel will cancel the
2072process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2073class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2074of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2075to e.g. name.gpx to overwrite the current version. Otherwise you may get
2076backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2077
2078<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2079auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2080style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2081style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2082style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2083project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2084tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2085there. Otherwise, you will be prompted for a new name in a file dialog (you may
2086change directory as well). If the file exists, you will be asked if it OK to
2087overwrite.</span></p>
2088
2089<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2090auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2091style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2092style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2093style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2094As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2095Save the current project to a new file. A file dialog will be shown to enter
2096the name (and change directory if desired). If the file exists, you will be
2097asked if it OK to overwrite.</span></p>
2098
2099<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2100auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2101style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2102style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2103style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2104project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2105&#8211; Close the current project; you will be asked if you want to save it
2106first.</span></p>
2107
2108<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2109auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2110style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2111style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2112style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2113style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2114program; if there is a current project you will be asked if you want to save it
2115first. Pressing the red X in the upper right (Windows) also exits (no save
2116option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2117
2118<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><b
2119style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2120style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2121</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Menu
2122&#8216;Data&#8217; &#8211; <o:p></o:p></b></p>
2123
2124<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2125auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2126style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2127style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2128style='mso-bidi-font-weight:normal'>Read image data&#8230; - Read in 2-D powder
2129diffraction images (multiple patterns can be selected). GSAS-II can read many
2130different image file</b> formats including MAR345 files, Quantum ADSC files,
2131and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2132formats have data fields that should contain relevant information for the
2133exposure (e.g. wavelength), these are rarely filled in correctly by the data
2134acquisition software. Thus, you should have separately noted this information
2135as it will be needed</p>
2136
2137<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2138auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2139style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2140style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2141style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2142in a list of powder pattern peak positions as either a d-spacing table or a set
2143of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2144GSAS-II powder pattern indexing. </p>
2145
2146<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2147auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2148style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2149style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2150style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2151
2152<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2153auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2154style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2155style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2156style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2157
2158<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2159auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2162style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the creation
2163of a new phase in the data tree (under Phases). You are first prompted in a
2164dialog box for a name to be assigned to the new phase. Then the <b
2165style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2166opened for this phase; you should first select the phase type, enter the space
2167group symbol and then lattice parameters. Note that nonstandard space group
2168symbols are permitted; there must be spaces between the axial fields (e.g. use
2169&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2170
2171<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2172auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2173style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2174style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2175style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2176phase from the data tree. A dialog box will present the list of phases; pick
2177one (or more) to delete.</p>
2178
2179<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2180auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2181style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2182style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2183style='mso-bidi-font-weight:normal'>Rename data</b> &#8211; This might be a bad
2184idea!!</p>
2185
2186<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2187auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2188style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2189style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2190style='mso-bidi-font-weight:normal'>Delete data</b> &#8211; This will remove an
2191item from the data tree. A dialog box with a list of choices is presented.</p>
2192
2193<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2194style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2195style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2196&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2197
2198<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2199auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2200style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2201style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2202style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2203pair distribution function (PDF) controls for each powder pattern selected in
2204the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2205style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2206Controls</a></span></b> for further directions.</p>
2207
2208<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2209auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2210style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2211style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2212style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2213&#8211; This shows a dialog box with all the parameters for your project; those
2214to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2215Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2216The total number of refined parameters is also shown at the top of the list.
2217The value of each parameter is also given. The parameter names are of the form
2218&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2219phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2220item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2221that for atom positions the value is not a <span class=SpellE>refinable</span>
2222parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2223class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2224atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2225&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2226
2227<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2228auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2229style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2230style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2231style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2232refinement (Pawley/Rietveld or single crystal) according to the controls set in
2233the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2234data tree item.</p>
2235
2236<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2237auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2238style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2239style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2240style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2241sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2242normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2243
2244<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2245style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2246style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2247&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2248
2249<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2250auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2251style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2252style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2253style='mso-bidi-font-weight:normal'>Phase - </b></p>
2254
2255<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2256auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2257style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2258style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2259class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b
2260style='mso-bidi-font-weight:normal'> GSAS .EXP file - </b>This reads one phase
2261from a GSAS experiment file (name.EXP). The file name is found in a directory
2262dialog; you can change directories as needed. Only .EXP (or .exp) file names
2263are shown. If the selected file has more than one phase, a dialog is shown with
2264the choices; only one can be chosen. If you want more than one, redo the <b
2265style='mso-bidi-font-weight:normal'>Import/Phase/from GSAS .EXP file</b>
2266command. After selecting a phase, a dialog box is shown with the proposed phase
2267name. You can change it if desired.</p>
2268
2269<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2270auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2271style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2272style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2273class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b
2274style='mso-bidi-font-weight:normal'> PDB file</b> - This reads the
2275macromolecular phase information from a Protein Data Base file (name.PDB or
2276name.ENT). The file name is found in a directory dialog; you can change
2277directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2278the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2279follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2280dialog box is shown with the proposed phase name. You can change it if desired.</p>
2281
2282<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2283auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2284style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2285style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2286class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b
2287style='mso-bidi-font-weight:normal'> CIF file</b> This reads one phase from a
2288Crystallographic Information File (name.CIF). The file name is found in a
2289directory dialog; you can change directories as needed. Only .CIF (or .<span
2290class=SpellE>cif</span>) file names are shown. If the selected file has more
2291than one phase, a dialog is shown with the choices; only one can be chosen. If
2292you want more than one, redo the <b style='mso-bidi-font-weight:normal'>Import/Phase/from
2293CIF</b> <b style='mso-bidi-font-weight:normal'>file</b> command. After
2294selecting a phase, a dialog box is shown with the proposed phase name. You can
2295change it if desired.</p>
2296
2297<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2298auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2299style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2300style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2301class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b
2302style='mso-bidi-font-weight:normal'> GSAS-II <span class=SpellE>gpx</span> file</b>
2303This reads one phase from a GSAS-II project file (name.GPX). The file name is
2304found in a directory dialog; you can change directories as needed. Only .GPX
2305(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2306has more than one phase, a dialog is shown with the choices; only one can be
2307chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2308normal'>Import/Phase/from GSAS-II <span class=SpellE>gpx</span> file</b>
2309command. After selecting a phase, a dialog box is shown with the proposed phase
2310name. You can change it if desired.</p>
2311
2312<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2313auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2314style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2315style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2316class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b
2317style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read
2318one phase from a file trying the formats as described above.</p>
2319
2320<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2321auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><b
2322style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2323style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2324</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Powder
2325Data &#8211; <o:p></o:p></b></p>
2326
2327<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2328auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2329style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2330style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2331</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from
2332CIF file <o:p></o:p></b></p>
2333
2334<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2335auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2336style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2337style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2338</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from
2339GSAS file <o:p></o:p></b></p>
2340
2341<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2342auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2343style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2344style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2345</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from <span
2346class=SpellE>Topas</span> <span class=SpellE>xye</span> file <o:p></o:p></b></p>
2347
2348<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2349auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2350style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2351style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2352class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b
2353style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read
2354one powder diffraction pattern (histogram) from a file trying the formats as
2355described above.</p>
2356
2357<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2358auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><b
2359style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2360style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2361</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Structure
2362Factor &#8211; <o:p></o:p></b></p>
2363
2364<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2365auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2366style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2367style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2368</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from
2369HKL file<o:p></o:p></b></p>
2370
2371<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2372auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2373style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2374style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2375</span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from
2376CIF file<o:p></o:p></b></p>
2377
2378<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2379auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b
2380style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span
2381style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2382</span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight:
2383normal'>guess</b></span><b style='mso-bidi-font-weight:normal'> format from
2384file</b> This attempts to read one set of single crystal structure factors from
2385a file trying the formats as described above.<b style='mso-bidi-font-weight:
2386normal'><o:p></o:p></b></p>
2387
2388<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2389style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2390style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2391&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2392
2393<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2394auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2395style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2396style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2397style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2398
2399<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2400auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2401style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2402style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2403style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2404
2405<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2406auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2407style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2408style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2409style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2410
2411<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2412auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2413style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2414style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2415style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2416
2417<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2418auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2419style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2420style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2421style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2422
2423<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2424text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2425style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2426style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2427style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2428
2429<div class=MsoNormal align=center style='text-align:center'><span
2430style='mso-fareast-font-family:"Times New Roman"'>
2431
2432<hr size=2 width="100%" align=center>
2433
2434</span></div>
2435
2436<div class=MsoNormal align=center style='text-align:center'><span
2437style='mso-fareast-font-family:"Times New Roman"'>
2438
2439<hr size=2 width="100%" align=center>
2440
2441</span></div>
2442
2443<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2444GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2445"Times New Roman"'><o:p></o:p></span></h2>
2446
2447<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2448information is displayed in the Data Editing Window, depending on which section
2449of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2450the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2451window described below. <o:p></o:p></span></p>
2452
2453<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2454style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2455
2456<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2457window provides a place for you to enter whatever text commentary you wish.
2458Each time you enter this window, a date/time entry is provided for you. A
2459possibly useful technique is to select a portion of the console window after a
2460refinement completes (it will contain refinement results with residuals, new
2461values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2462window so it becomes a part of your project file.<o:p></o:p></span></p>
2463
2464<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2465style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2466
2467<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2468window provides the main controls for the major calculations in GSAS-II. At
2469present only Refinement Controls are presented. <o:p></o:p></span></p>
2470
2471<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2472of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2473MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2474algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2475package and a third one is a python version utilizing only the <span
2476class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2477the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2478nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2479algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2480routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2481Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2482J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2483python/numpy version was developed by us based on the material in Numerical
2484Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2485&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2486algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2487
2488<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2489
2490<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2491style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2492style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2493style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2494uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2495Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2496perhaps a bit less accurate, but may be needed if the analytic functions are
2497not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2498x M (parameters x observations) and is much larger than the Hessian matrix
2499which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2500Hessian&#8217; for routine work.<o:p></o:p></span></p>
2501
2502<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2503style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2504style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2505style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2506delta-M/M&#8217; for convergence; the refinement will stop when the change in
2507the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2508force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2509(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2510to 1.0.<o:p></o:p></span></p>
2511
2512<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2513style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2514style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2515style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2516Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2517the first cycle of refinement. This value is modified by the least squares
2518routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2519needed if your initial <span class=GramE>refinement</span> trials immediately
2520diverge, however make sure your starting parameter values are
2521&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2522performance.<o:p></o:p></span></p>
2523
2524<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2525style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2526style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2527style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2528Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2529number of least squares cycles to be performed. Least squares cycles are
2530determined by the number of times a new Hessian matrix is computes; the <span
2531class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2532several times between cycles as it finds the optimal value of the Marquardt
2533coefficient. Choices are given in the pull down selection; the default is 3
2534cycles.<o:p></o:p></span></p>
2535
2536<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2537style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2538style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2539style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2540refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2541
2542<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2543
2544<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2545window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2546shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2547
2548<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2549
2550<span style='mso-bookmark:Constraints'></span>
2551
2552<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2553window shows the constraints to be used in a refinement. It is organized into
2554three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2555parameters that describe aspects of the crystalline phases to be used in the
2556refinement (e.g. atom coordinates, thermal motion and site fraction
2557parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2558aspects of the pattern that depend on both the phase and the data set used in
2559the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2560"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2561and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2562that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2563and Y).<o:p></o:p></span></p>
2564
2565<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2566
2567<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2568style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2569style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2570style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the parameter
2571types you wish to constrain. Each will have the same possibilities in the
2572&#8216;Edit menu.<o:p></o:p></span></p>
2573
2574<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2575style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2576style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2577style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2578style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2579
2580<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2581auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2582style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2583style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2584class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2585"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2586style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2587style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2588that you wish to remain fixed although other parameters of the same type may be
2589selected as a group for refinement. For example, if the space group for a phase
2590has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2591is arbitrary and should be selected for a Hold to keep the structure from
2592drifting up or down the y-axis during refinement. If selected, a dialog box
2593will appear showing the list of available parameters; select one and then OK to
2594implement it, Cancel will cancel the operation. The held parameter will be
2595shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2596button can be used to remove it.<o:p></o:p></span></p>
2597
2598<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2599auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2600style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2601style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2602style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2603equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2604&#8211; select a list of parameters that should have the same value (possibly
2605with a non-unitary multiplier for some). Examples are a list of atoms with the
2606same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2607coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2608selected, a dialog box will appear with a list of the available parameters.
2609Select one and press OK; a second dialog box will appear with only those
2610parameters that can be made equivalent to the first one. Choose those and press
2611OK. Cancel in either dialog will cancel the operation. The equivalenced
2612parameters 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;
2613usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2614button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2615equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2616
2617<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2618auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2619style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2620style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2621style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2622constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2623&#8211; select a list of parameters whose sum (with possible non-unitary
2624multipliers) is fixed. For example, the sum of site fractions for atoms on the
2625same site could be fixed to unity. If selected, a dialog box will appear with a
2626list of the available parameters. Select one and press OK; a second dialog box
2627will appear with only those parameters that can be used in a constraint with
2628the first one. Choose those and press OK. Cancel in either dialog will cancel
2629the operation. The equivalenced parameters will show as an equation of the form
2630M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2631multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2632the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2633constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2634
2635<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2636text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2637style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2638style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2639style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2640function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2641&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2642the result of the sum can be varied in the refinement. The keyword
2643&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2644indicates your choice to refine the result of the sum. A Delete button can be
2645used to remove it.<o:p></o:p></span></p>
2646
2647<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2648style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2649
2650<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2651window is empty<o:p></o:p></span></p>
2652
2653<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2654
2655<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2656just yet<o:p></o:p></span></p>
2657
2658<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2659style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2660
2661<p class=MsoNormal>In this window is tabulated the results of your sequential
2662refinement. The columns are the parameter names; the naming convention is
2663&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2664h is the histogram number, name is the parameter name, and num (if needed) is
2665the item number (e.g. atom number). The rows are the data sets used in the
2666sequential refinement.</p>
2667
2668<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2669
2670<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2671
2672<h3>Histograms</h3>
2673
2674<p class=MsoNormal>These are shown in the data tree with a prefix of
2675&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2676&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2677constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2678analysis. Selection of these items does not produce any information in the data
2679window but does display the data in the Plots Window. They are described below.</p>
2680
2681<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2682
2683<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2684a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2685href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2686tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2687variety of subcategories in the tree are shown. The items that are shown depend
2688on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2689
2690<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2691style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2692
2693<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2694style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2695"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2696</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2697&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2698
2699<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2700text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2701style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2702style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2703style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2704style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2705&#8211; this produces a &#8216;normal probability&#8217; plot for the
2706refinement result as bounded by the limits. The slope and intercept of the
2707curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2708Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2709style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2710style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2711"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2712style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2713plot status line. The slope is the square root of GOF for the best fit set of
2714data points (~68% of the data).<o:p></o:p></span></span></p>
2715
2716<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2717
2718<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2719whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2720file was read by GSAS-II. If you are lucky, there will be useful information
2721here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
2722will be blank. The text is read-only in that anything you try to enter here is
2723not saved.</span></p>
2724
2725<span style='mso-bookmark:Comments'></span>
2726
2727<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2728style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2729
2730<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2731window shows the limits in position to be used in any fitting for this powder
2732pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2733maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2734needed.<o:p></o:p></span></p>
2735
2736<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2737
2738<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2739style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2740style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2741style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2742class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2743&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2744changed (the background on the box will be blue or have a black border or a vertical
2745bar will appear in the value), then enter the new value and press Enter or
2746click the mouse elsewhere in the Background window. This will set the new
2747value.<o:p></o:p></span></p>
2748
2749<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2750style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2751style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2752style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2753&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2754(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2755line) into position. A left or right mouse click on a data point on the plot
2756will set the associated limit. In either case the appropriate value on the
2757&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2758
2759<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2760style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2761style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2762style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2763style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2764
2765<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2766text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2767style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2768style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2769style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2770style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2771limits shown to other selected powder patterns. If used, a dialog box (Copy
2772Parameters) will appear showing the list of available powder patterns, you can
2773copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2774copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2775&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2776
2777<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2778
2779<span style='mso-bookmark:Background'></span>
2780
2781<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2782window shows the choice of background functions and coefficients to be used in
2783fitting this powder pattern. There are three types of contributions available
2784for the background:<o:p></o:p></span></p>
2785
2786<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2787A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2788&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2789interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2790interpolate&#8217;). The latter three select fixed points with spacing that is <span
2791class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2792x-coordinate. The set of magnitudes at each point then comprise the background
2793variables. All are refined when refine is selected.<o:p></o:p></span></p>
2794
2795<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2796"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2797form:<o:p></o:p></span></p>
2798
2799<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2800"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
2801 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2802 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
2803   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2804   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2805   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2806     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2807     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2808     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2809     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2810     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2811     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2812     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
2813   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2814   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2815   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2816   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2817   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2818   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2819   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2820     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2821     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2822     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2823     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2824     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2825     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2826     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
2827style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2828"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2829top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2830EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2831 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2832 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2833</v:shape><![endif]--><![if !vml]><img width=178 height=51
2834src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2835style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
28361'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2837
2838<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2839style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2840variables and can be individually selected as desired; Q = 2</span><span
2841style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2842style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2843
2844<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2845A set of individual Bragg peaks using the pseudo-Voigt profile function as
2846their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2847&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2848&#8216;gam&#8217;; each can be selected for refinement. The default values for
2849sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2850to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2851
2852<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2853
2854<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2855style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2856style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2857style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2858style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2859
2860<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2861auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2862style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2863style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2864style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2865style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2866background parameters shown to other selected powder patterns. If used, a
2867dialog box (Copy Parameters) will appear showing the list of available powder
2868patterns, you can copy the background parameters to any or all of them; select
2869&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2870do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2871
2872<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2873auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2876style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2877flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2878<span class=GramE>this copies</span> only the refinement flags shown to other
2879selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2880appear showing the list of available powder patterns, you can copy the
2881refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2882to all patterns. Then select &#8216;OK&#8217; to do the copy;
2883&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2884
2885<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2886style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2887style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2888style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2889Background function from the pull down tab.<o:p></o:p></span></p>
2890
2891<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2892style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2893style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2894style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2895refine the background coefficients.<o:p></o:p></span></p>
2896
2897<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2898style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2899style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2900style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2901background coefficients to be used (1-36).<o:p></o:p></span></p>
2902
2903<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2906style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2907background coefficient values. Enter the value then press Enter or click the
2908mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2909
2910<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2911style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2912style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2913style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2914Debye scattering terms into the background. For each one you should enter a
2915sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2916an amorphous phase is appropriate. Select parameters to refine; usually start
2917with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2918
2919<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2920style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2921style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2922style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2923Bragg peaks into the background. For each you should specify at least the
2924position. Select parameters to refine; usually start with the &#8216;<span
2925class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2926
2927<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2928"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2929style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2930
2931<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2932window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2933
2934<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2935
2936<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2937style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2938style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2939style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2940style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2941
2942<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2943auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2944style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2945style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2946style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2947profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2948loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2949replacing the existing instrument parameter values. All refinement flags are
2950unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2951
2952<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2953auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2954style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2955style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2956style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2957profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2958the current instrument parameter values in a simple text file (<span
2959class=SpellE>name.instprm</span>); you will be prompted for the file name
2960&#8211; do not change the extension. This file may be edited but heed the
2961warning to not change the parameter names, the order of the parameter records
2962or add new parameter records as this will invalidate the file. You may only
2963change the numeric values if necessary. You can change or add comment records
2964(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2965
2966<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2967auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2968style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2969style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2970style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2971profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2972resets the values for the instrument parameters to the default values shown in
2973parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2974
2975<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2976auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2977style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2978style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2979style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2980style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2981instrument parameters shown to other selected powder patterns. If used, a
2982dialog box (Copy parameters) will appear showing the list of available powder
2983patterns, you can copy the instrument parameters to any or all of them; select
2984&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2985do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2986work for instrument parameters that are commensurate with the one that is
2987shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2988style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2989style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2990style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2991style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2992style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2993style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2994
2995<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2996auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2997style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2998style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2999style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3000flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
3001&#8211; this copies the instrument parameter refinement flags shown to other
3002selected powder patterns. If used, a dialog box (Copy refinement flags) will
3003appear showing the list of available powder patterns, you can copy the
3004instrument parameter refinement flags to any or all of them; select
3005&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3006do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
3007work for instrument parameters that are commensurate with the one that is
3008shown, e.g. single radiation patterns will not be updated from K</span><sub><span
3009style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
3010style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
3011style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
3012style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
3013style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
3014style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
3015
3016<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3017auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
3018style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3019style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3020style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
3021radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3022&#8211; this changes the radiation between single wavelength (e.g. for
3023synchrotron source) and K</span><sub><span style='font-family:Symbol;
3024mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
3025style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
3026style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
3027style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
3028style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
3029style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
3030laboratory tube source).<o:p></o:p></span></p>
3031
3032<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
3033style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3034style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3035style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
3036profile coefficients<o:p></o:p></span></p>
3037
3038<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
3039style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3040style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3041style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
3042profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
3043circumstances some choices are ignored e.g. Zero is not refined during peak
3044fitting. Also some choices may lead to unstable refinement, e.g. <span
3045class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
3046&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
3047style='mso-fareast-font-family:"Times New Roman"'> display for highly
3048correlated parameters.<o:p></o:p></span></p>
3049
3050<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
3051"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
3052
3053<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3054window show the various sample dependent parameters for this powder pattern.
3055The presence of a refine button indicates which can be refined while others are
3056fixed. All values can be changed in this window.<o:p></o:p></span></p>
3057
3058<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
3059Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
3060I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
3061style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3062color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3063
3064<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3065style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3066style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3067normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3068style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3069style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3070normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3071style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3072style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3073style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3074style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3075normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3076
3077<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3078text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3079style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3080style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3081style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3082style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3083style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3084style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3085sample parameters shown to other selected powder patterns. If used, a dialog
3086box (Copy parameters) will appear showing the list of available powder
3087patterns, you can copy the sample parameters to any or all of them; select
3088&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3089do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3090
3091<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3092text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3093style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3094style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3095style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3096style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3097flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
3098style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
3099- &#8211; this copies the sample parameter refinement flags shown to other
3100selected powder patterns. If used, a dialog box (Copy refinement flags) will
3101appear showing the list of available powder patterns, you can copy the sample
3102parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3103copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3104&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3105
3106<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3107style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3108style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3109
3110<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3111window shows the list of peaks that will be used by the peak fitting
3112refinement. It is filled by picking peaks in the powder pattern displayed in
3113the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3114
3115<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3116style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3117can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3118style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3119normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3120
3121<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3122style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3123"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3124bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3125</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3126color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3127style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3128color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3129style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3130normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3131
3132<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3133tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3134style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3135normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3136style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3137class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3138style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3139color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3140peak parameters, background and instrument parameter values varied in the last
3141peak fitting refinement back to their original values. Use this to recover from
3142a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3143only a single level of recovery available.<o:p></o:p></span></span></h5>
3144
3145<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3146tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3147style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3148normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3149style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3150style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3151class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3152style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3153normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3154peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3155background parameters and instrument parameters with refine checked will be
3156varied in this refinement. The refinement will proceed until convergence. We
3157suggest you vary the intensity along with the background first (the default),
3158then vary the position and instrument parameters after. The order will depend
3159on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3160&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3161difference curve displayed in the GSASII Plots window. If individual peaks show
3162peak widths that are widely different, their individual sigma and gamma parameters
3163may be refined. If the refinement results in negative peak coefficients, these
3164will be highlighted in red. If this happens, you should </span></span><span
3165style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3166"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3167style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3168color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3169and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3170
3171<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3172tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3173style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3174normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3175style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3176style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3177cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3178style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3179normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3180squares refinement. This can be used in difficult cases to get a refinement
3181started toward convergence.<o:p></o:p></span></span></h5>
3182
3183<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3184tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3185style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3186normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3187style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3188style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3189and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3190style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3191normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3192gamma to those computed from the instrument parameters U, V, W, <span
3193class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3194
3195<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3196tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3197style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3198normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3200style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3201style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3202color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this removes
3203all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3204
3205<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3206style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3207"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3208bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3209</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3210color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3211peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3212near to the top point on a peak, 2) press the left mouse button. The selected
3213peak will be added to the Peak List in its correct sorted order and a blue
3214vertical line will be plotted on that position. Be sure that the Zoom/Pan
3215buttons are not selected on the Plot window. We recommend that you begin
3216picking peaks from the right side of the pattern; that way the tool tip won&#8217;t
3217be in your way as you select peaks.<o:p></o:p></span></span></h5>
3218
3219<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3220style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3221"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3222bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3223</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3224color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3225Peak List item using the mouse on the plot by: 1) position the pointer on the
3226blue line for the peak you wish to move, 2) holding the left mouse button down,
3227drag to the desired position &amp; then release the button. The peak line will
3228be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3229selected on the Plot window.<o:p></o:p></span></span></h5>
3230
3231<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3232style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3233"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3234</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3235can change individual peak coefficient values. Enter the value then press Enter
3236or Tab or click the mouse elsewhere in the Peak List window. This will set the
3237new value.<o:p></o:p></span></span></p>
3238
3239<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3240style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3241"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3242</span></span></span><![endif]>You can change the refine flags either by
3243clicking on the box or by selecting one and then selecting the column (a single
3244click on the column heading; column should show in blue). Then type
3245&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3246style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3247
3248<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3249style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3250"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3251bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3252</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3253color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3254peaks in the Peak List by selecting rows (should appear in blue) and then
3255pressing the Delete key. You can also delete peaks using the mouse on the plot
3256by positioning the pointer on the blue line for the peak to be deleted and then
3257pressing the right mouse button. The blue line should vanish and the
3258corresponding peak will be removed from the Peak List. Be sure that the
3259Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3260
3261<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3262"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3263"Times New Roman"'><o:p></o:p></span></h4>
3264
3265<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3266window shows the list of peaks that will be used for indexing (see </span><a
3267href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3268Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3269It must be filled before indexing can proceed. When indexing is completed, this
3270display will show the resulting <span class=SpellE>hkl</span> values for every
3271indexed reflection along with the calculated d-spacing (&#8216;d-<span
3272class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3273href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3274Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3275
3276<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3277
3278<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3279style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3280style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3281style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3282style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3283style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak positions
3284&amp; intensities from the </span><a href="#Peak_List"><span style='mso-fareast-font-family:
3285"Times New Roman"'>Peak List</span></a><span style='mso-fareast-font-family:
3286"Times New Roman"'> to make them available for the indexing routine. The d-<span
3287class=SpellE>obs</span> is obtained from Bragg&#8217;s Law after applying the
3288Zero correction shown on the </span><a href="#Instrument_Parameters"><span
3289style='mso-fareast-font-family:"Times New Roman"'>Instrument Parameters</span></a><span
3290style='mso-fareast-font-family:"Times New Roman"'> table to the position shown
3291here.<o:p></o:p></span></p>
3292
3293<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3294style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3295style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3296style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3297peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3298
3299<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3300style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3301"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3302"Times New Roman"'><o:p></o:p></span></h4>
3303
3304<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3305window... <o:p></o:p></span></p>
3306
3307<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3308List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3309
3310<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3311window... <o:p></o:p></span></p>
3312
3313<h3>Single Crystal Histograms - HKLF</h3>
3314
3315<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3316Functions - PDF<o:p></o:p></span></h3>
3317
3318<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3319Controls<o:p></o:p></span></h4>
3320
3321<p class=MsoNormal>This window </p>
3322
3323<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3324"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3325<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>
3326
3327<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3328window... <o:p></o:p></span></p>
3329
3330<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3331IMG<o:p></o:p></span></h3>
3332
3333<h4>Image Controls<a name="Image_Controls"></a></h4>
3334
3335<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3336window... <o:p></o:p></span></p>
3337
3338<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3339mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3340style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3341name="Image_Masks"></a><![endif]></h4>
3342
3343<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3344window... <o:p></o:p></span></p>
3345
3346<h3>Phase Windows</h3>
3347
3348<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3349a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3350shown for that selected phase in a tabbed window. Clicking on each tab raises
3351the windows listed below. Each tab is identified by the underlined phrase in
3352the following:<o:p></o:p></span></p>
3353
3354<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3355Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3356
3357<span style='mso-bookmark:General'></span>
3358
3359<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3360gives overall parameters describing the phase such as the name, space group,
3361the unit cell parameters and overall parameters for the atom present in the
3362phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3363
3364<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3365
3366<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3367style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3368style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3369style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3370style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3371shows computations that are possible for this phase.<o:p></o:p></span></p>
3372
3373<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3374auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3375style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3376style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3377style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3378maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3379compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3380
3381<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3382auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3385style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3386maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3387search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3388% of the maximum will be found in this procedure; they will be printed on the
3389console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3390page. This page will immediately be shown and the peaks will be shown on the
3391structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3392
3393<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3394style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3395style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3396style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3397of the General page that can be changed are Phase name, Phase type, Space
3398group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3399
3400<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3401auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3402style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3403style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3404style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3405name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3406this is the name assigned to this phase. It should only be changed when the
3407phase is initialized or imported.<u><o:p></o:p></u></span></p>
3408
3409<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3410auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3411style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3412style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3413style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3414type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3415can only be set when there are no atoms in the Atoms page for this phase.
3416Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3417
3418<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3419auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3420style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3421style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3422style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3423group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3424&#8211; this should be set when the phase is initialized; it can be changed
3425later. Be careful about the impact on Atom site symmetry and multiplicity if
3426you do. GSAS-II will recognize any legal space group symbol using the short
3427Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3428fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3429with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3430setting where the center of inversion is located at the origin. The choice of
3431space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3432
3433<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3434auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3435style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3436style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3437style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3438unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3439&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3440Pawley refinement. The actual parameters refined are the symmetry allowed terms
3441(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3442normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3443"Times New Roman"'><br>
3444</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3445    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3446    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3447    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3450    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3451    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3452  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3453  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3454    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3455    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3456    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3457    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3458    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3459    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3460    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3461    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3462    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3463    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><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>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3466    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3467    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3468  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3469  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3470    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3471    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3472    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><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>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3475    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3476    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><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:sSupPr><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>k</m:r></span></i></m:e><m:sup><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>2</m:r></span></i></m:sup></m:sSup><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>+</m:r></span></i><m:sSub><m:sSubPr><span
3486    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3487    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3488    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3489    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3490    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3491    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3492    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3493    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3494    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3495    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3496    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3497    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3498    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3499    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3500  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3501  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3502    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3503    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3504    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3505    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3506    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3507    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3508    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3509  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3510  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
3511    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3512    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3513    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3514    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3515    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3516    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3517    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3518  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3519  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
3520    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3521    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3522    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3523    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3524    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3525    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3526    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3527  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3528  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3529style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3530"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3531mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3532 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3533 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3534</v:shape><![endif]--><![if !vml]><img width=335 height=19
3535src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3536style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3537
3538<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3539auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3540style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3541style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3542class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3543"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3544style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3545style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3546only those permitted by the space group are shown. The volume is computed from
3547the values entered.<u><o:p></o:p></u></span></p>
3548
3549<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3550style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3551style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3552style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3553Atoms page then the Elements table is shown next on the General page; you may select
3554the isotope (only relevant for neutron diffraction experiments). The density is
3555computed depending on this choice, the unit cell volume and the atom
3556fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3557
3558<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3559style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3560style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3561style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3562shown at the bottom of the General page. A completed Rietveld or Pawley
3563refinement is required before a Fourier map can be computed. Select the desired
3564type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3565
3566<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3567</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3568
3569<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3570
3571<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3572style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3573mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3574line-break'>
3575<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3576<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3577
3578<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3579
3580<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3581
3582<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3583
3584<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3585
3586<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3587
3588<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3589
3590<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3591
3592<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3593
3594<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3595rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3596ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3597menus for this tab; Edit allows modification of the list of atoms to be
3598rendered and Compute gives some options for geometric characterization of
3599selected atoms.</p>
3600
3601<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3602
3603<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3604style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3605style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3606Selection from table: select individual atoms by a left click of the mouse when
3607pointed at the left most column (atom numbers) of the atom display; hold down
3608the Ctrl key to add to your selection; a previously selected atom will be
3609deselected. A selected atom will be highlighted (in grey) and the atom will be
3610shown in green on the plot. Selection without the Ctrl key will clear previous
3611selections. A double left click in the (empty) upper left box will select or
3612deselect all atoms.</p>
3613
3614<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3615style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3616style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3617Selection from plot: select an atom by a left click of the mouse while holding
3618down the Shift key and pointed at the center of the displayed atom, it will
3619turn green if successful and the corresponding entry in the table will be
3620highlighted (in grey); any previous selections will be cleared. To add to .your
3621selection use the right mouse button (Shift down); if a previously selection is
3622reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3623normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3624to select, they may be selected inadvertently. You can rotate the structure
3625anytime during the selection process.</p>
3626
3627<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3628style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3629style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3630left click a Name, Type and Sym Op column heading: a dialog box is shown that
3631allows you to select all atoms with that characteristic. For example, selecting
3632the Type column will show all the atom types; your choice will then cause all
3633those atoms to be selected.</p>
3634
3635<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3636style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3637style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3638left click a Style, Label or Color column: a dialog box is shown that allows
3639you to select a rendering option for all the atoms. For Color a color choice
3640dialog is displayed that covers the entire color spectrum. Choose a color by
3641any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3642select that color in the Custom colors display and then press OK. <b
3643style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3644have the same color and for Style &#8220;blank&#8221; means the atoms
3645aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3646
3647<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3648style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3649style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3650&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3651shows operations that can be performed on your selected atoms. You must select
3652one or more atoms before using any of the menu items.</p>
3653
3654<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3655auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3656style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3657style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3658style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3659style for the selected atoms</p>
3660
3661<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3662auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3663style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3664style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3665style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3666be shown as a label for each atom in selection. The choices are: none, type,
3667name or number.</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'>c.<span
3672style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3673style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3674the atom; a color choice dialog is displayed that covers the entire color
3675spectrum. Choose a color by any of the means available, press the &#8220;Add to
3676Custom Colors&#8221;, select that color in the Custom colors display and then
3677press OK.</p>
3678
3679<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3680auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3681style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3682style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3683style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3684atom color back to their defaults for the selected atoms.</p>
3685
3686<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3687auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3688style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3689style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3690style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3691view point to the first atom in the selection.</p>
3692
3693<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3694auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3695style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3696style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3697style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3698atoms, new ones are added to the bottom of the list after applying your choice
3699of symmetry operator and unit cell translation selected via a dialog display.
3700Duplicate atom positions are not retained. Any anisotropic thermal displacement
3701parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3702
3703<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3704auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3705style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3706style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3707style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3708symmetry operator and unit cell translation to the set of selected atoms; they
3709will be changed in place. Any anisotropic thermal displacement parameters (<span
3710class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3711
3712<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3713auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3714style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3715style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3716style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3717currently in the draw atom table, find all atoms that belong in the
3718coordination sphere around the selected atoms via unit cell translations. NB:
3719symmetry operations are not used in this search.</p>
3720
3721<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3722auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3723style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3724style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3725</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3726cell</b> - using the atoms currently selected from the draw atom table, find
3727all atoms that fall inside or on the edge/surface/corners of the unit cell.
3728This operation is frequently performed before Fill CN-sphere.</p>
3729
3730<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3731auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3732style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3733style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3734</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3735atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3736the Atoms table. You should do this operation after any changes in the Atoms table,
3737e.g. by a structure refinement.</p>
3738
3739<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3740style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3741style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3742&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3743menu gives a choice of geometric calculations to be performed with the selected
3744atoms. You must select the appropriate number of atoms for these to work and
3745the computation is done for the atoms in selection order.</p>
3746
3747<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3748auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3749style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3750style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3751style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3752normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3753a distance, angle or torsion angle will be found for them. The angles are
3754computed for the atoms in their selection order. The torsion angle is a right
3755hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3756estimated standard deviation is given for the calculated value if a current
3757variance-covariance matrix is available. The result is shown on the console
3758window; it may be cut &amp; pasted to another application (e.g. Microsoft
3759Word).</p>
3760
3761<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3762text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3763style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3764style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3765style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3766are selected, a best plane is determined for them. The result is shown on the
3767console window; it may be cut &amp; pasted to another application (e.g.
3768Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3769plane coordinates where the largest range is over the X-axis and the smallest
3770is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3771center of the selection. Root mean square displacements along each axis for the
3772best plane are also listed. The Z-axis RMS value indicates the flatness of the
3773proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3774(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3775atoms with respect to a coordinate system where the X-axis is along the longest
3776axis of the atom grouping and the Z-axis is along the shortest distance. The
3777origin is at the <span class=SpellE>unweighted</span> center of the selected
3778atoms.</p>
3779
3780<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3781
3782<p class=MsoNormal>This gives the list of reflections used in a Pawley
3783refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3784style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3785style='color:#00B0F0'>.</span></p>
3786
3787<h5>What can I do here?</h5>
3788
3789<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3790style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3791style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3792<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3793
3794<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3795auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3796style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3797style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3798style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3799new set of Pawley reflections, over writing any preexisting Pawley set. They
3800are generated with d-<span class=SpellE>spacings</span> larger than the limit
3801set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3802for this phase. By default the refine flags are not set and the <span
3803class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3804class=SpellE>hkl</span>) = 100.0.</p>
3805
3806<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3807auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3808style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3809style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3810style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3811an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3812class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3813reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3814the <a href="#Data">Data</a> tab.</p>
3815
3816<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3817auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3818style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3819style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3820style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3821set of Pawley reflections.</p>
3822
3823<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3824style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3825style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3826can change the refine flags either by clicking on the box or by selecting one
3827and then selecting the column (a single click on the column heading). Then type
3828&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3829You should deselect those reflections that fall below the lower limit or above
3830the upper limit of the powder pattern otherwise you may have a singular matrix
3831error in your Pawley refinement.</p>
3832
3833<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3834style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3835style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3836can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3837class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3838typing in the new value and then pressing enter or selecting somewhere else in
3839the table.</p>
3840
3841<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3842
3843<h4><a name="Map_peaks">Map peaks</a></h4>
3844
3845<span style='mso-bookmark:Map_peaks'></span>
3846
3847<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks found
3848within the unit cell from the last Fourier map search sorted in order of
3849decreasing peak magnitude. The crystal structure plot shows each peak position
3850as a white 3-D cross.</p>
3851
3852<h5>What can I do here?</h5>
3853
3854<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3855style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3856style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3857a peak with a left click on the left hand row number, hold Ctrl key down to add
3858more peaks to your selection. Each peak selected will show as a green 3-D cross
3859on the crystal structure plot.</p>
3860
3861<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3862style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3863style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3864<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3865style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3866
3867<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3868auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3869style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3870style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3871style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3872peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3873Atoms</a> list. They will be appended to the end of each list each with the
3874name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3875drawn as small white spheres at their respective positions in the structure
3876drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3877change the atom type to whatever element you desire; it will be renamed
3878automatically.</p>
3879
3880<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3881text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3882style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3883style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3884style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3885the peaks in the map peak list; they are also removed from the crystal
3886structure drawing plot.</p>
3887
3888<div class=MsoNormal align=center style='text-align:center'><span
3889style='mso-fareast-font-family:"Times New Roman"'>
3890
3891<hr size=2 width="100%" align=center>
3892
3893</span></div>
3894
3895<div class=MsoNormal align=center style='text-align:center'><span
3896style='mso-fareast-font-family:"Times New Roman"'>
3897
3898<hr size=2 width="100%" align=center>
3899
3900</span></div>
3901
3902<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3903GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3904style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3905style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3906
3907<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3908window presents all the graphical material as a multipage tabbed set of plots
3909utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3910has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3911
3912<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3913mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3914src=graphbar.jpg
3915alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3916style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3917
3918<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3919are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3920
3921<ul type=disc>
3922 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3923     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3924     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3925 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3926     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3927     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3928 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3929     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3930     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3931     of the Back button <o:p></o:p></span></li>
3932 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3933     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3934     "Times New Roman"'>Pan: allows you to control panning across the plot
3935     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3936 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3937     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3938     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3939     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3940 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3941     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3942     "Times New Roman"'>Save: allows you to save the currently displayed plot
3943     in one of several graphical formats suitable for printing or insertion in
3944     a document.<o:p></o:p></span></li>
3945 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3946     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3947     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3948</ul>
3949
3950<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3951
3952<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3953the toolbar may be a status bar that on the left may show either an instruction
3954for a keyed input or a pull down selection of keyed input; on the right may be
3955displayed position dependent information that is updated as the mouse is moved
3956over the plot region.<o:p></o:p></span></p>
3957
3958<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3959
3960<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3961specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3962
3963<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3964
3965<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3966powder patterns that are part of your project are shown on this page. They can
3967be displayed as a stack of powder patterns, just a single pattern or as a
3968contour image of the peak intensities. What can be done here will depend on which
3969is displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
3970
3971<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3972
3973<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3974style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3975style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3976style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3977the plot, the plot status line will show the cursor position in 2</span><span
3978style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3979style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3980intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3981Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3982style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3983
3984<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3985style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3986style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3987the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3988press&#8217; </b>&#8211; you can either press the key on the key board or
3989select from the pull down menu. For line plots:</p>
3990
3991<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3992auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3993style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3994style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3995class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3996style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3997plot of multiple powder profiles, increase the offset to the left. Does not apply
3998if only one pattern.</p>
3999
4000<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4001auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4002style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
4003style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4004class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
4005style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
4006of multiple powder profiles, increase the offset to the left. Does not apply if
4007only one pattern.</p>
4008
4009<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4010auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4011style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4012style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4013class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
4014style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
4015multiple powder profiles, increase the offset down. Does not apply if only one
4016pattern.</p>
4017
4018<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4019auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4020style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4021style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4022class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
4023style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
4024multiple powder profiles, increase the offset up. Does not apply if only one
4025pattern.</p>
4026
4027<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4028auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4029style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
4030style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4031class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
4032style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
4033of multiple powder profiles, reset to no offset. Does not apply if only one
4034pattern.</p>
4035
4036<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4037auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4038style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
4039style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4040class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
4041style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
4042y-axis to be the log10 of the intensity; difference curve is not shown for
4043log(I) on.</p>
4044
4045<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4046auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4047style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
4048style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4049class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
4050style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
4051powder profiles, then a contour plot is shown of the observed intensities. All
4052data sets must be the same length as the first one to be included in the
4053contour plot.</p>
4054
4055<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4056auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4057style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4058style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4059style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4060x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4061style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4062taken at different energies on the same x-axis scale.</p>
4063
4064<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4065auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4066style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4067style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4068</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4069normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4070&#8211; for multiple powder profiles, this will show only the one selected from
4071the data tree. The offset options are not active.</p>
4072
4073<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4074auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4075style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
4076style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4077</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4078normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4079sig</b> &#8211; for the pattern selected from the data tree, this will divide
4080the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4081for the data points. Other data sets are not shown.</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'>k.<span
4086style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4087style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4088profiles, only the observed curve is shown.</p>
4089
4090<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4091style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4092style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4093style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4094line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
4095