source: trunk/help/gsasII.html @ 613

Last change on this file since 613 was 613, checked in by vondreele, 10 years ago

forgot to put combined example in main GSASII.html file

  • Property svn:keywords set to Author
  • Property svn:mime-type set to text/html
File size: 220.9 KB
Line 
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6
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22<title>Help for GSAS-II</title>
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24 <o:DocumentProperties>
25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>93</o:Revision>
28  <o:TotalTime>2865</o:TotalTime>
29  <o:Created>2011-11-28T16:49:00Z</o:Created>
30  <o:LastSaved>2012-05-11T15:39:00Z</o:LastSaved>
31  <o:Pages>8</o:Pages>
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34  <o:Company>Argonne National Laboratory</o:Company>
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368        mso-font-pitch:variable;
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373        mso-style-qformat:yes;
374        mso-style-parent:"";
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379        font-family:"Times New Roman","serif";
380        mso-fareast-font-family:"Times New Roman";
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;
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1926        mso-pagination:widow-orphan;
1927        font-size:10.0pt;
1928        font-family:"Times New Roman","serif";}
1929</style>
1930<![endif]-->
1931<link href=gsasIIfav.png rel="SHORTCUT ICON">
1932<!--[if gte mso 9]><xml>
1933 <o:shapedefaults v:ext="edit" spidmax="1027"/>
1934</xml><![endif]--><!--[if gte mso 9]><xml>
1935 <o:shapelayout v:ext="edit">
1936  <o:idmap v:ext="edit" data="1"/>
1937 </o:shapelayout></xml><![endif]-->
1938</head>
1939
1940<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1941
1942<div class=WordSection1>
1943
1944<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1945 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1946 stroked="f">
1947 <v:stroke joinstyle="miter"/>
1948 <v:formulas>
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1964</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1965 alt="Description: Description: Description: Description: Description: Description: Description: Description: 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: GSAS-II logo"
1979v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
1980for GSAS-II<o:p></o:p></span></h1>
1981
1982<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1983is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1984operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1985window, which provides a hierarchical view of the current project; the <a
1986href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1987a particular section of the project, where values can be examined and changed;
1988the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1989representations of the results; and the console which has printout information
1990that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1991
1992<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1993
1994<h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2>
1995
1996<p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span
1997style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p>
1998
1999<p class=MsoNormal><strong><a
2000href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
2001style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
2002
2003<p class=MsoNormal><strong><a
2004href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
2005style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
2006
2007<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
2008normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
2009
2010<p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight:
2011normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p>
2012
2013<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
2014style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
2015constraints</span></a><o:p></o:p></strong></p>
2016
2017<p class=MsoNormal><strong><a href="Combined%20refinement.htm"><span
2018style='font-weight:normal'>Combined neutron x-ray Rietveld refinement and
2019Fourier maps</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>Charge flipping structure solution (future)<o:p></o:p></strong></p>
2024
2025<div class=MsoNormal align=center style='text-align:center'><span
2026style='mso-fareast-font-family:"Times New Roman"'>
2027
2028<hr size=2 width="100%" align=center>
2029
2030</span></div>
2031
2032<div class=MsoNormal align=center style='text-align:center'><span
2033style='mso-fareast-font-family:"Times New Roman"'>
2034
2035<hr size=2 width="100%" align=center>
2036
2037</span></div>
2038
2039<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
2040GSAS-II data tree<o:p></o:p></span></h2>
2041
2042<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2043is a hierarchical view of the data items in your GSAS-II project (name.gpx).
2044Clicking on any item in the tree opens a window where information in that item
2045can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
2046Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
2047about how data were collected, such as the sample temperature <a
2048href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
2049the selection to successive entries in the data tree; both the data window and
2050the associated plot (if any) will change.<o:p></o:p></span></p>
2051
2052<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
2053
2054<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
2055menus associated with this window provide access to many features of GSAS-II,
2056as outlined below: <o:p></o:p></span></p>
2057
2058<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2059style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2060style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2061&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
2062
2063<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2064auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2065style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2066style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2067style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
2068saved GSAS-II project file (name.gpx). If you currently have a project file
2069open, you are asked if it is OK to over write it; Cancel will cancel the
2070process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
2071class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
2072of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
2073to e.g. name.gpx to overwrite the current version. Otherwise you may get
2074backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
2075
2076<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2077auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2078style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2079style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2080style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
2081project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
2082tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
2083there. Otherwise, you will be prompted for a new name in a file dialog (you may
2084change directory as well). If the file exists, you will be asked if it OK to
2085overwrite.</span></p>
2086
2087<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2088auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2089style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2090style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2091style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2092As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
2093Save the current project to a new file. A file dialog will be shown to enter
2094the name (and change directory if desired). If the file exists, you will be
2095asked if it OK to overwrite.</span></p>
2096
2097<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2098auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2099style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2100style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2101style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
2102project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2103&#8211; Close the current project; you will be asked if you want to save it
2104first.</span></p>
2105
2106<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2107auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2108style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2109style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2110style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
2111style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
2112program; if there is a current project you will be asked if you want to save it
2113first. Pressing the red X in the upper right (Windows) also exits (no save
2114option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
2115
2116<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2117style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2118style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2119&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
2120
2121<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2122auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2123style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2124style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2125style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
2126powder diffraction patterns (multiple patterns can be selected). GSAS-II can
2127read most of the old GSAS powder format files with the position in <span
2128class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
2129class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
2130where the position is in degrees 2-theta. As each file is read, an old GSAS
2131style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
2132class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
2133data set is assumed. </p>
2134
2135<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2136auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2137style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2138style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2139style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
2140powder diffraction images (multiple patterns can be selected). GSAS-II can read
2141many different image file formats including MAR345 files, Quantum ADSC files,
2142and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
2143formats have data fields that should contain relevant information for the
2144exposure (e.g. wavelength), these are rarely filled in correctly by the data
2145acquisition software. Thus, you should have separately noted this information
2146as it will be needed</p>
2147
2148<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2149auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2150style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2151style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2152style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
2153in a list of powder pattern peak positions as either a d-spacing table or a set
2154of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
2155GSAS-II powder pattern indexing. </p>
2156
2157<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2158auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2159style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2160style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2161style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
2162
2163<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2164auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2165style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2166style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2167style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2168
2169<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2170auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2171style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2172style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2173style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2174
2175<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2176auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2177style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2178style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2179style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2180creation of a new phase in the data tree (under Phases). You are first prompted
2181in a dialog box for a name to be assigned to the new phase. Then the <b
2182style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2183opened for this phase; you should first select the phase type, enter the space
2184group symbol and then lattice parameters. Note that nonstandard space group
2185symbols are permitted; there must be spaces between the axial fields (e.g. use
2186&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
2187
2188<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2189auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2190style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2191style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2192style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2193phase from the data tree. A dialog box will present the list of phases; pick
2194one (or more) to delete.</p>
2195
2196<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2197auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2200</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2201data</b> &#8211; This might be a bad idea!!</p>
2202
2203<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2204auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2205style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2206style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2207</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2208data</b> &#8211; This will remove an item from the data tree. A dialog box with
2209a list of choices is presented.</p>
2210
2211<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2212style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2213style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2214&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2215
2216<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2217auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2218style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2219style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2220style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2221pair distribution function (PDF) controls for each powder pattern selected in
2222the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2223style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2224Controls</a></span></b> for further directions.</p>
2225
2226<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2227auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2228style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2229style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2230style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2231&#8211; This shows a dialog box with all the parameters for your project; those
2232to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;. Blanks
2233indicate parameters that are not <span class=SpellE>refinable</span>. The total
2234number of refined parameters is also shown at the top of the list. The value of
2235each parameter is also given. The parameter names are of the form &#8216;p<span
2236class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the phase index,
2237&#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the item index
2238(if needed). Indexes all begin with &#8216;0&#8217; (zero). Note that for atom
2239positions the value is not a <span class=SpellE>refinable</span> parameter, but
2240the shift in the value is. Position names are, e.g. &#8216;0:<span class=GramE>:Ax:0&#8217;</span>
2241for the x-position of the <span class=SpellE>zeroth</span> atom in the <span
2242class=SpellE>zeroth</span> phase while shift names have a &#8216;d&#8217; in
2243then, e.g. &#8216;0::dAx:0&#8217;. </p>
2244
2245<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2246auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2247style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2248style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2249style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2250refinement (Pawley/Rietveld or single crystal) according to the controls set in
2251the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2252data tree item.</p>
2253
2254<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2255auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2256style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2257style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2258style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2259sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2260normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2261
2262<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2263style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2264style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2265&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2266
2267<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2268auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2269style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2270style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2271style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2272
2273<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2274auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2275style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2276style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2277style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2278reads one phase from a GSAS experiment file (name.EXP). The file name is found
2279in a directory dialog; you can change directories as needed. Only .EXP (or
2280.exp) file names are shown. If the selected file has more than one phase, a
2281dialog is shown with the choices; only one can be chosen. If you want more than
2282one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2283command. After selecting a phase, a dialog box is shown with the proposed phase
2284name. You can change it if desired.</p>
2285
2286<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2287auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2288style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2289style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2290style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2291the macromolecular phase information from a Protein Data Base file (name.PDB or
2292name.ENT). The file name is found in a directory dialog; you can change
2293directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2294the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file follows
2295the GSAS-II conventions (e.g. with spaces between axial fields). A dialog box
2296is shown with the proposed phase name. You can change it if desired.</p>
2297
2298<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2299auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2300style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2301style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2302style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2303phase from a Crystallographic Information File (name.CIF). The file name is
2304found in a directory dialog; you can change directories as needed. Only .CIF
2305(or .<span class=SpellE>cif</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 CIF</b> command. After selecting a phase, a dialog box is
2309shown with the proposed phase name. You can change it if desired.</p>
2310
2311<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2312auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2313style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2314style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2315style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2316This reads one phase from a GSAS-II project file (name.GPX). The file name is
2317found in a directory dialog; you can change directories as needed. Only .GPX
2318(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2319has more than one phase, a dialog is shown with the choices; only one can be
2320chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2321normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2322selecting a phase, a dialog box is shown with the proposed phase name. You can
2323change it if desired.</p>
2324
2325<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2326auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2327style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2328style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2329style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2330
2331<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2332auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2333style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2334style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2335style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2336
2337<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2338style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2339style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2340&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2341
2342<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2343auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2344style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2345style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2346style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2347
2348<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2349auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2350style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2351style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2352style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2353
2354<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2355auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2356style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2357style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2358style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2359
2360<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2361auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2362style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2363style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2364style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2365
2366<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2367auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2368style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2369style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2370style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2371
2372<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2373text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2374style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2375style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2376style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2377
2378<div class=MsoNormal align=center style='text-align:center'><span
2379style='mso-fareast-font-family:"Times New Roman"'>
2380
2381<hr size=2 width="100%" align=center>
2382
2383</span></div>
2384
2385<div class=MsoNormal align=center style='text-align:center'><span
2386style='mso-fareast-font-family:"Times New Roman"'>
2387
2388<hr size=2 width="100%" align=center>
2389
2390</span></div>
2391
2392<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2393GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2394"Times New Roman"'><o:p></o:p></span></h2>
2395
2396<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2397information is displayed in the Data Editing Window, depending on which section
2398of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2399the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2400window described below. <o:p></o:p></span></p>
2401
2402<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2403style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2404
2405<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2406window provides a place for you to enter whatever text commentary you wish.
2407Each time you enter this window, a date/time entry is provided for you. A
2408possibly useful technique is to select a portion of the console window after a
2409refinement completes (it will contain refinement results with residuals, new
2410values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2411window so it becomes a part of your project file.<o:p></o:p></span></p>
2412
2413<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2414style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2415
2416<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2417window provides the main controls for the major calculations in GSAS-II. At
2418present only Refinement Controls are presented. <o:p></o:p></span></p>
2419
2420<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2421of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2422MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2423algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2424package and a third one is a python version utilizing only the <span
2425class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2426the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2427nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2428algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2429routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2430Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2431J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2432python/numpy version was developed by us based on the material in Numerical
2433Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2434&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2435algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2436
2437<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2438
2439<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2440style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2441style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2442style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2443uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2444Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2445perhaps a bit less accurate, but may be needed if the analytic functions are
2446not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2447x M (parameters x observations) and is much larger than the Hessian matrix
2448which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2449Hessian&#8217; for routine work.<o:p></o:p></span></p>
2450
2451<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2452style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2453style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2454style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2455delta-M/M&#8217; for convergence; the refinement will stop when the change in
2456the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2457force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2458(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2459to 1.0.<o:p></o:p></span></p>
2460
2461<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2462style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2463style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2464style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2465Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2466the first cycle of refinement. This value is modified by the least squares
2467routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2468needed if your initial <span class=GramE>refinement</span> trials immediately
2469diverge, however make sure your starting parameter values are &#8216;reasonable&#8217;.
2470The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p>
2471
2472<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2473style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2474style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2475style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2476Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2477number of least squares cycles to be performed. Least squares cycles are
2478determined by the number of times a new Hessian matrix is computes; the <span
2479class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2480several times between cycles as it finds the optimal value of the Marquardt
2481coefficient. Choices are given in the pull down selection; the default is 3
2482cycles.<o:p></o:p></span></p>
2483
2484<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2487style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2488refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2489
2490<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2491
2492<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2493window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2494shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2495
2496<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2497
2498<span style='mso-bookmark:Constraints'></span>
2499
2500<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2501window shows the constraints to be used in a refinement. It is organized into
2502three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2503parameters that describe aspects of the crystalline phases to be used in the
2504refinement (e.g. atom coordinates, thermal motion and site fraction
2505parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2506aspects of the pattern that depend on both the phase and the data set used in
2507the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2508"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2509and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2510that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2511and Y).<o:p></o:p></span></p>
2512
2513<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2514
2515<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2516style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2517style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2518style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2519parameter types you wish to constrain. Each will have the same possibilities in
2520the &#8216;Edit menu.<o:p></o:p></span></p>
2521
2522<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2523style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2524style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2525style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2526style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2527
2528<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2529auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2530style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2531style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2532class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2533"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2534style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2535style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2536that you wish to remain fixed although other parameters of the same type may be
2537selected as a group for refinement. For example, if the space group for a phase
2538has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2539is arbitrary and should be selected for a Hold to keep the structure from
2540drifting up or down the y-axis during refinement. If selected, a dialog box
2541will appear showing the list of available parameters; select one and then OK to
2542implement it, Cancel will cancel the operation. The held parameter will be
2543shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2544button can be used to remove it.<o:p></o:p></span></p>
2545
2546<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2547auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2548style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2549style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2550style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2551equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2552&#8211; select a list of parameters that should have the same value (possibly
2553with a non-unitary multiplier for some). Examples are a list of atoms with the
2554same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2555coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2556selected, a dialog box will appear with a list of the available parameters.
2557Select one and press OK; a second dialog box will appear with only those
2558parameters that can be made equivalent to the first one. Choose those and press
2559OK. Cancel in either dialog will cancel the operation. The equivalenced
2560parameters 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;
2561usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2562button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2563equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2564
2565<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2566auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2567style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2568style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2569style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2570constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2571&#8211; select a list of parameters whose sum (with possible non-unitary
2572multipliers) is fixed. For example, the sum of site fractions for atoms on the
2573same site could be fixed to unity. If selected, a dialog box will appear with a
2574list of the available parameters. Select one and press OK; a second dialog box
2575will appear with only those parameters that can be used in a constraint with
2576the first one. Choose those and press OK. Cancel in either dialog will cancel
2577the operation. The equivalenced parameters will show as an equation of the form
2578M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2579multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2580the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2581constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2582
2583<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2584text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2585style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2586style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2587style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2588function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2589&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2590the result of the sum can be varied in the refinement. The keyword
2591&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2592indicates your choice to refine the result of the sum. A Delete button can be
2593used to remove it.<o:p></o:p></span></p>
2594
2595<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2596style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2597
2598<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2599window is empty<o:p></o:p></span></p>
2600
2601<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2602
2603<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2604just yet<o:p></o:p></span></p>
2605
2606<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2607style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2608
2609<p class=MsoNormal>In this window is tabulated the results of your sequential
2610refinement. The columns are the parameter names; the naming convention is
2611&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2612h is the histogram number, name is the parameter name, and num (if needed) is
2613the item number (e.g. atom number). The rows are the data sets used in the
2614sequential refinement.</p>
2615
2616<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2617
2618<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2619
2620<h3>Histograms</h3>
2621
2622<p class=MsoNormal>These are shown in the data tree with a prefix of
2623&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2624&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2625constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2626analysis. Selection of these items does not produce any information in the data
2627window but does display the data in the Plots Window. They are described below.</p>
2628
2629<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2630
2631<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2632a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2633href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2634tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2635variety of subcategories in the tree are shown. The items that are shown depend
2636on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2637
2638<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2639style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2640
2641<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2642style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2643"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2644</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2645&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2646
2647<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2648text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2649style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2650style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2651style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2652style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2653&#8211; this produces a &#8216;normal probability&#8217; plot for the
2654refinement result as bounded by the limits. The slope and intercept of the
2655curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2656Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2657style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2658style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2659"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2660style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2661plot status line. The slope is the square root of GOF for the best fit set of
2662data points (~68% of the data).<o:p></o:p></span></span></p>
2663
2664<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2665
2666<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2667whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2668file was read by GSAS-II. If you are lucky, there will be useful information
2669here (e.g. sample name, date collected, wavelength used, etc.). If not, this
2670window will be blank. The text is read-only in that anything you try to enter
2671here is not saved.</span></p>
2672
2673<span style='mso-bookmark:Comments'></span>
2674
2675<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2676style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2677
2678<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2679window shows the limits in position to be used in any fitting for this powder
2680pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2681maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2682needed.<o:p></o:p></span></p>
2683
2684<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2685
2686<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2687style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2688style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2689style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2690class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2691&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2692changed (the background on the box will be blue or have a black border or a
2693vertical bar will appear in the value), then enter the new value and press
2694Enter or click the mouse elsewhere in the Background window. This will set the
2695new value.<o:p></o:p></span></p>
2696
2697<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2698style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2699style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2700style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2701&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2702(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2703line) into position. A left or right mouse click on a data point on the plot
2704will set the associated limit. In either case the appropriate value on the
2705&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2706
2707<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2708style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2709style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2710style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2711style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2712
2713<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2714text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2715style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2716style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2717style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2718style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2719limits shown to other selected powder patterns. If used, a dialog box (Copy Parameters)
2720will appear showing the list of available powder patterns, you can copy the
2721limits parameters to any or all of them; select &#8216;All&#8217; to copy them
2722to all patterns. Then select &#8216;OK&#8217; to do the copy;
2723&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2724
2725<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2726
2727<span style='mso-bookmark:Background'></span>
2728
2729<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2730window shows the choice of background functions and coefficients to be used in
2731fitting this powder pattern. There are three types of contributions available
2732for the background:<o:p></o:p></span></p>
2733
2734<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2735A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2736&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2737interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2738interpolate&#8217;). The latter three select fixed points with spacing that is <span
2739class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2740x-coordinate. The set of magnitudes at each point then comprise the background
2741variables. All are refined when refine is selected.<o:p></o:p></span></p>
2742
2743<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2744"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2745form:<o:p></o:p></span></p>
2746
2747<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2748"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
2749 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2750 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
2751   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2752   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2753   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2754     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2755     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2756     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2757     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2758     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2759     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2760     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
2761   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2762   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2763   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2764   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2765   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2766   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2767   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2768     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2769     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2770     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2771     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2772     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2773     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2774     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
2775style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2776"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2777top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2778EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2779 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2780 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2781</v:shape><![endif]--><![if !vml]><img width=178 height=51
2782src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
27841'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2785
2786<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2787style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2788variables and can be individually selected as desired; Q = 2</span><span
2789style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2790style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2791
2792<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). A
2793set of individual Bragg peaks using the pseudo-Voigt profile function as their
2794shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2795&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2796&#8216;gam&#8217;; each can be selected for refinement. The default values for
2797sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2798to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2799
2800<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2801
2802<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2805style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2806style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2807
2808<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2809auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2810style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2811style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2812style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2813style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2814background parameters shown to other selected powder patterns. If used, a
2815dialog box (Copy Parameters) will appear showing the list of available powder
2816patterns, you can copy the background parameters to any or all of them; select
2817&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2818do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2819
2820<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2821auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2822style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2823style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2824style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2825flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2826<span class=GramE>this copies</span> only the refinement flags shown to other
2827selected powder patterns. If used, a dialog box (Copy Refinement Flags) will
2828appear showing the list of available powder patterns, you can copy the
2829refinement flags to any or all of them; select &#8216;All&#8217; to copy them
2830to all patterns. Then select &#8216;OK&#8217; to do the copy;
2831&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2832
2833<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2834style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2835style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2836style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2837Background function from the pull down tab.<o:p></o:p></span></p>
2838
2839<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2840style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2841style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2842style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2843refine the background coefficients.<o:p></o:p></span></p>
2844
2845<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2846style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2847style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2848style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2849background coefficients to be used (1-36).<o:p></o:p></span></p>
2850
2851<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2852style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2853style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2854style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2855background coefficient values. Enter the value then press Enter or click the
2856mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2857
2858<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2859style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2860style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2861style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2862Debye scattering terms into the background. For each one you should enter a
2863sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2864an amorphous phase is appropriate. Select parameters to refine; usually start
2865with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2866
2867<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2868style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2869style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2870style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2871Bragg peaks into the background. For each you should specify at least the
2872position. Select parameters to refine; usually start with the &#8216;<span
2873class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2874
2875<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2876"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2877style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2878
2879<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2880window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2881
2882<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2883
2884<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2885style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2886style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2887style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2888style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2889
2890<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2891auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2892style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2893style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2894style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2895profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2896loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2897replacing the existing instrument parameter values. All refinement flags are
2898unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2899
2900<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2901auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2902style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2903style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2904style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2905profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2906the current instrument parameter values in a simple text file (<span
2907class=SpellE>name.instprm</span>); you will be prompted for the file name
2908&#8211; do not change the extension. This file may be edited but heed the
2909warning to not change the parameter names, the order of the parameter records
2910or add new parameter records as this will invalidate the file. You may only
2911change the numeric values if necessary. You can change or add comment records
2912(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2913
2914<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2915auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2916style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2917style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2918style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2919profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2920resets the values for the instrument parameters to the default values shown in
2921parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2922
2923<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2924auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2925style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2926style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2927style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2928style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2929instrument parameters shown to other selected powder patterns. If used, a
2930dialog box (Copy parameters) will appear showing the list of available powder
2931patterns, you can copy the instrument parameters to any or all of them; select &#8216;All&#8217;
2932to copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2933&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
2934instrument parameters that are commensurate with the one that is shown, e.g.
2935single radiation patterns will not be updated from K</span><sub><span
2936style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2937style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2938style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2939style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2940style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2941style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2942
2943<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2944auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2945style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2946style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2947style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2948flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2949&#8211; this copies the instrument parameter refinement flags shown to other
2950selected powder patterns. If used, a dialog box (Copy refinement flags) will
2951appear showing the list of available powder patterns, you can copy the instrument
2952parameter refinement flags to any or all of them; select &#8216;All&#8217; to
2953copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2954&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
2955instrument parameters that are commensurate with the one that is shown, e.g.
2956single radiation patterns will not be updated from K</span><sub><span
2957style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2958style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2959style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2960style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2961style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2962style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2963
2964<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2965auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2966style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2967style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2968style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2969radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2970&#8211; this changes the radiation between single wavelength (e.g. for
2971synchrotron source) and K</span><sub><span style='font-family:Symbol;
2972mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2973style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2974style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2975style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2976style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2977style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2978laboratory tube source).<o:p></o:p></span></p>
2979
2980<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2981style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2982style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2983style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2984profile coefficients<o:p></o:p></span></p>
2985
2986<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2987style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2988style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2989style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2990profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2991circumstances some choices are ignored e.g. Zero is not refined during peak
2992fitting. Also some choices may lead to unstable refinement, e.g. <span
2993class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2994&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2995style='mso-fareast-font-family:"Times New Roman"'> display for highly
2996correlated parameters.<o:p></o:p></span></p>
2997
2998<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2999"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
3000
3001<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3002window show the various sample dependent parameters for this powder pattern. The
3003presence of a refine button indicates which can be refined while others are
3004fixed. All values can be changed in this window.<o:p></o:p></span></p>
3005
3006<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
3007Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
3008I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
3009style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3010color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
3011
3012<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
3013style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3014style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3015normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
3016style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3017style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3018normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
3019style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3020style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
3021style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3022style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3023normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
3024
3025<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
3026text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3027style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3028style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3029style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3030style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
3031style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3032style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
3033sample parameters shown to other selected powder patterns. If used, a dialog
3034box (Copy parameters) will appear showing the list of available powder
3035patterns, you can copy the sample parameters to any or all of them; select
3036&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
3037do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3038
3039<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3040text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
3041style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
3042style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3043style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3044style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
3045flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
3046style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
3047- &#8211; this copies the sample parameter refinement flags shown to other
3048selected powder patterns. If used, a dialog box (Copy refinement flags) will
3049appear showing the list of available powder patterns, you can copy the sample
3050parameter refinement flags to any or all of them; select &#8216;All&#8217; to
3051copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
3052&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
3053
3054<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
3055style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
3056style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3057
3058<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3059window shows the list of peaks that will be used by the peak fitting
3060refinement. It is filled by picking peaks in the powder pattern displayed in
3061the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
3062
3063<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
3064style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
3065can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
3066style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3067normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
3068
3069<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3070style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3071"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3072bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3073</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3074color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
3075style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3076color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
3077style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3078normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
3079
3080<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3081tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3082style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3083normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
3084style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3085class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3086style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3087color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
3088peak parameters, background and instrument parameter values varied in the last
3089peak fitting refinement back to their original values. Use this to recover from
3090a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
3091only a single level of recovery available.<o:p></o:p></span></span></h5>
3092
3093<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3094tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3095style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3096normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
3097style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3098style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
3099class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
3100style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3101normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
3102peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
3103background parameters and instrument parameters with refine checked will be
3104varied in this refinement. The refinement will proceed until convergence. We
3105suggest you vary the intensity along with the background first (the default),
3106then vary the position and instrument parameters after. The order will depend
3107on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
3108&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
3109difference curve displayed in the GSASII Plots window. If individual peaks show
3110peak widths that are widely different, their individual sigma and gamma
3111parameters may be refined. If the refinement results in negative peak
3112coefficients, these will be highlighted in red. If this happens, you should </span></span><span
3113style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
3114"Times New Roman";color:windowtext'>UnDo</span></span></span><span
3115style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3116color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
3117and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
3118
3119<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3120tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3121style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3122normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
3123style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3124style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
3125cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
3126style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3127normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
3128squares refinement. This can be used in difficult cases to get a refinement
3129started toward convergence.<o:p></o:p></span></span></h5>
3130
3131<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3132tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3133style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3134normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
3135style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3136style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
3137and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
3138style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3139normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
3140gamma to those computed from the instrument parameters U, V, W, <span
3141class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
3142
3143<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
3144tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
3145style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
3146normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
3147style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3148style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
3149style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
3150color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
3151removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
3152
3153<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3154style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3155"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3156bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3157</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3158color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
3159peaks to the Peak list using the mouse on the plot by: 1) position the pointer
3160near to the top point on a peak, 2) press the left mouse button. The selected
3161peak will be added to the Peak List in its correct sorted order and a blue
3162vertical line will be plotted on that position. Be sure that the Zoom/Pan
3163buttons are not selected on the Plot window. We recommend that you begin
3164picking peaks from the right side of the pattern; that way the tool tip
3165won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
3166
3167<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3168style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3169"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3170bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3171</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3172color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3173Peak List item using the mouse on the plot by: 1) position the pointer on the
3174blue line for the peak you wish to move, 2) holding the left mouse button down,
3175drag to the desired position &amp; then release the button. The peak line will
3176be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3177selected on the Plot window.<o:p></o:p></span></span></h5>
3178
3179<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3180style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3181"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3182</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3183can change individual peak coefficient values. Enter the value then press Enter
3184or Tab or click the mouse elsewhere in the Peak List window. This will set the
3185new value.<o:p></o:p></span></span></p>
3186
3187<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3188style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3189"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3190</span></span></span><![endif]>You can change the refine flags either by
3191clicking on the box or by selecting one and then selecting the column (a single
3192click on the column heading; column should show in blue). Then type
3193&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3194style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3195
3196<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3197style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3198"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3199bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3200</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3201color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3202peaks in the Peak List by selecting rows (should appear in blue) and then pressing
3203the Delete key. You can also delete peaks using the mouse on the plot by
3204positioning the pointer on the blue line for the peak to be deleted and then
3205pressing the right mouse button. The blue line should vanish and the
3206corresponding peak will be removed from the Peak List. Be sure that the
3207Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3208
3209<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3210"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3211"Times New Roman"'><o:p></o:p></span></h4>
3212
3213<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3214window shows the list of peaks that will be used for indexing (see </span><a
3215href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3216Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3217It must be filled before indexing can proceed. When indexing is completed, this
3218display will show the resulting <span class=SpellE>hkl</span> values for every
3219indexed reflection along with the calculated d-spacing (&#8216;d-<span
3220class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3221href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3222Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3223
3224<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3225
3226<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3227style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3228style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3229style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3230style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3231style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3232positions &amp; intensities from the </span><a href="#Peak_List"><span
3233style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3234style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3235the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3236Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3237href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3238Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3239table to the position shown here.<o:p></o:p></span></p>
3240
3241<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3242style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3243style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3244style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3245peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3246
3247<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3248style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3249"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3250"Times New Roman"'><o:p></o:p></span></h4>
3251
3252<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3253window... <o:p></o:p></span></p>
3254
3255<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3256List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3257
3258<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3259window... <o:p></o:p></span></p>
3260
3261<h3>Single Crystal Histograms - HKLF</h3>
3262
3263<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3264Functions - PDF<o:p></o:p></span></h3>
3265
3266<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3267Controls<o:p></o:p></span></h4>
3268
3269<p class=MsoNormal>This window </p>
3270
3271<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3272"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3273<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>
3274
3275<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3276window... <o:p></o:p></span></p>
3277
3278<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3279IMG<o:p></o:p></span></h3>
3280
3281<h4>Image Controls<a name="Image_Controls"></a></h4>
3282
3283<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3284window... <o:p></o:p></span></p>
3285
3286<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3287mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3288style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3289name="Image_Masks"></a><![endif]></h4>
3290
3291<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3292window... <o:p></o:p></span></p>
3293
3294<h3>Phase Windows</h3>
3295
3296<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3297a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3298shown for that selected phase in a tabbed window. Clicking on each tab raises
3299the windows listed below. Each tab is identified by the underlined phrase in
3300the following:<o:p></o:p></span></p>
3301
3302<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3303Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3304
3305<span style='mso-bookmark:General'></span>
3306
3307<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3308gives overall parameters describing the phase such as the name, space group,
3309the unit cell parameters and overall parameters for the atom present in the
3310phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3311
3312<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3313
3314<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3315style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3316style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3317style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3318style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3319shows computations that are possible for this phase.<o:p></o:p></span></p>
3320
3321<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3322auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3323style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3324style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3325style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3326maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3327compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3328
3329<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3330auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3331style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3332style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3333style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3334maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3335search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3336% of the maximum will be found in this procedure; they will be printed on the
3337console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3338page. This page will immediately be shown and the peaks will be shown on the
3339structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3340
3341<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3342style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3343style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3344style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3345of the General page that can be changed are Phase name, Phase type, Space
3346group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3347
3348<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3349auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3350style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3351style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3352style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3353name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3354this is the name assigned to this phase. It should only be changed when the
3355phase is initialized or imported.<u><o:p></o:p></u></span></p>
3356
3357<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3358auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3359style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3360style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3361style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3362type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3363can only be set when there are no atoms in the Atoms page for this phase.
3364Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3365
3366<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3367auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3368style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3369style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3370style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3371group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3372&#8211; this should be set when the phase is initialized; it can be changed
3373later. Be careful about the impact on Atom site symmetry and multiplicity if
3374you do. GSAS-II will recognize any legal space group symbol using the short
3375Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3376fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3377with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3378setting where the center of inversion is located at the origin. The choice of
3379space group will set the available unit cell parameters.<u><o:p></o:p></u></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'>d.<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"'>Refine
3386unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3387&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3388Pawley refinement. The actual parameters refined are the symmetry allowed terms
3389(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3390normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3391"Times New Roman"'><br>
3392</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3393    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3394    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3395    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3396    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3397    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3398    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3399    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3400  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3401  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3402    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3403    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3404    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3405    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3406    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3407    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3408    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3409    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3410    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3411    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3412    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3413    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3414    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3415    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3416  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3417  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3418    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3419    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3420    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3421    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3422    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3423    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3424    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3425    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3426    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3427    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3428    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3429    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3430    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3431    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3432  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3433  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3434    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3435    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3436    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3437    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3438    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3439    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3440    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3441    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3442    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3443    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3444    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3445    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3446    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3447    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3448  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3449  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3450    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3451    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3452    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3453    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3454    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3455    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3456    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3457  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3458  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3459    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3460    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3461    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3462    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3463    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3464    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3465    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3466  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3467  mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3468    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3469    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3470    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3471    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3472    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3473    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3474    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3475  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3476  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3477style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3478"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3479mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3480 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3481 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3482</v:shape><![endif]--><![if !vml]><img width=335 height=19
3483src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3484style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3485
3486<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3487auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3488style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3489style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3490class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3491"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3492style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3493style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3494only those permitted by the space group are shown. The volume is computed from
3495the values entered.<u><o:p></o:p></u></span></p>
3496
3497<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3498style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3499style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3500style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3501Atoms page then the Elements table is shown next on the General page; you may
3502select the isotope (only relevant for neutron diffraction experiments). The
3503density is computed depending on this choice, the unit cell volume and the atom
3504fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3505
3506<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3507style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3508style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3509style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3510shown at the bottom of the General page. A completed Rietveld or Pawley
3511refinement is required before a Fourier map can be computed. Select the desired
3512type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3513
3514<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3515</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3516
3517<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3518
3519<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3520style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3521mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3522line-break'>
3523<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3524<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3525
3526<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3527
3528<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3529
3530<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3531
3532<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3533
3534<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3535
3536<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3537
3538<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3539
3540<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3541
3542<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3543rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3544ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3545menus for this tab; Edit allows modification of the list of atoms to be
3546rendered and Compute gives some options for geometric characterization of
3547selected atoms.</p>
3548
3549<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3550
3551<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3552style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3553style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3554Selection from table: select individual atoms by a left click of the mouse when
3555pointed at the left most column (atom numbers) of the atom display; hold down
3556the Ctrl key to add to your selection; a previously selected atom will be
3557deselected. A selected atom will be highlighted (in grey) and the atom will be
3558shown in green on the plot. Selection without the Ctrl key will clear previous
3559selections. A double left click in the (empty) upper left box will select or
3560deselect all atoms.</p>
3561
3562<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3563style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3564style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3565Selection from plot: select an atom by a left click of the mouse while holding
3566down the Shift key and pointed at the center of the displayed atom, it will
3567turn green if successful and the corresponding entry in the table will be
3568highlighted (in grey); any previous selections will be cleared. To add to .your
3569selection use the right mouse button (Shift down); if a previously selection is
3570reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3571normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3572to select, they may be selected inadvertently. You can rotate the structure
3573anytime during the selection process.</p>
3574
3575<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3576style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3577style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3578left click a Name, Type and Sym Op column heading: a dialog box is shown that
3579allows you to select all atoms with that characteristic. For example, selecting
3580the Type column will show all the atom types; your choice will then cause all
3581those atoms to be selected.</p>
3582
3583<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3584style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3585style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3586left click a Style, Label or Color column: a dialog box is shown that allows
3587you to select a rendering option for all the atoms. For Color a color choice
3588dialog is displayed that covers the entire color spectrum. Choose a color by
3589any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3590select that color in the Custom colors display and then press OK. <b
3591style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3592have the same color and for Style &#8220;blank&#8221; means the atoms
3593aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3594
3595<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3596style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3597style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3598&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3599shows operations that can be performed on your selected atoms. You must select
3600one or more atoms before using any of the menu items.</p>
3601
3602<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3603auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3604style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3605style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3606style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3607style for the selected atoms</p>
3608
3609<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3610auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3611style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3612style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3613style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3614be shown as a label for each atom in selection. The choices are: none, type,
3615name or number.</p>
3616
3617<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3618auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3619style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3620style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3621style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3622the atom; a color choice dialog is displayed that covers the entire color
3623spectrum. Choose a color by any of the means available, press the &#8220;Add to
3624Custom Colors&#8221;, select that color in the Custom colors display and then
3625press OK.</p>
3626
3627<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3628auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3629style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3630style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3631style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the atom
3632color back to their defaults for the selected atoms.</p>
3633
3634<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3635auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3636style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3637style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3638style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3639view point to the first atom in the selection.</p>
3640
3641<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3642auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3643style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3644style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3645style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3646atoms, new ones are added to the bottom of the list after applying your choice
3647of symmetry operator and unit cell translation selected via a dialog display.
3648Duplicate atom positions are not retained. Any anisotropic thermal displacement
3649parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3650
3651<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3652auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3653style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3654style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3655style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3656symmetry operator and unit cell translation to the set of selected atoms; they
3657will be changed in place. Any anisotropic thermal displacement parameters (<span
3658class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3659
3660<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3661auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3662style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3663style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3664style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3665currently in the draw atom table, find all atoms that belong in the
3666coordination sphere around the selected atoms via unit cell translations. NB:
3667symmetry operations are not used in this search.</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'>i.<span
3672style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3673</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3674cell</b> - using the atoms currently selected from the draw atom table, find
3675all atoms that fall inside or on the edge/surface/corners of the unit cell.
3676This operation is frequently performed before Fill CN-sphere.</p>
3677
3678<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3679auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3680style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3681style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3682</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3683atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3684the Atoms table. You should do this operation after any changes in the Atoms table,
3685e.g. by a structure refinement.</p>
3686
3687<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3688style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3689style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3690&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3691menu gives a choice of geometric calculations to be performed with the selected
3692atoms. You must select the appropriate number of atoms for these to work and
3693the computation is done for the atoms in selection order.</p>
3694
3695<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3696auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3697style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3698style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3699style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3700normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3701a distance, angle or torsion angle will be found for them. The angles are
3702computed for the atoms in their selection order. The torsion angle is a right
3703hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3704estimated standard deviation is given for the calculated value if a current
3705variance-covariance matrix is available. The result is shown on the console
3706window; it may be cut &amp; pasted to another application (e.g. Microsoft
3707Word).</p>
3708
3709<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3710text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3711style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3712style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3713style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3714are selected, a best plane is determined for them. The result is shown on the
3715console window; it may be cut &amp; pasted to another application (e.g.
3716Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3717plane coordinates where the largest range is over the X-axis and the smallest
3718is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3719center of the selection. Root mean square displacements along each axis for the
3720best plane are also listed. The Z-axis RMS value indicates the flatness of the
3721proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3722(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3723atoms with respect to a coordinate system where the X-axis is along the longest
3724axis of the atom grouping and the Z-axis is along the shortest distance. The
3725origin is at the <span class=SpellE>unweighted</span> center of the selected
3726atoms.</p>
3727
3728<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3729
3730<p class=MsoNormal>This gives the list of reflections used in a Pawley
3731refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3732style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3733style='color:#00B0F0'>.</span></p>
3734
3735<h5>What can I do here?</h5>
3736
3737<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3738style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3739style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3740<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3741
3742<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3743auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3744style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3745style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3746style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3747new set of Pawley reflections, over writing any preexisting Pawley set. They
3748are generated with d-<span class=SpellE>spacings</span> larger than the limit
3749set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3750for this phase. By default the refine flags are not set and the <span
3751class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3752class=SpellE>hkl</span>) = 100.0.</p>
3753
3754<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3755auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3756style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3757style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3758style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3759an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3760class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3761reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3762the <a href="#Data">Data</a> tab.</p>
3763
3764<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3765auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3766style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3767style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3768style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3769set of Pawley reflections.</p>
3770
3771<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3772style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3773style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3774can change the refine flags either by clicking on the box or by selecting one
3775and then selecting the column (a single click on the column heading). Then type
3776&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3777You should deselect those reflections that fall below the lower limit or above
3778the upper limit of the powder pattern otherwise you may have a singular matrix
3779error in your Pawley refinement.</p>
3780
3781<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3782style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3783style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3784can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3785class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3786typing in the new value and then pressing enter or selecting somewhere else in
3787the table.</p>
3788
3789<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3790
3791<h4><a name="Map_peaks">Map peaks</a></h4>
3792
3793<span style='mso-bookmark:Map_peaks'></span>
3794
3795<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3796found within the unit cell from the last Fourier map search sorted in order of
3797decreasing peak magnitude. The crystal structure plot shows each peak position
3798as a white 3-D cross.</p>
3799
3800<h5>What can I do here?</h5>
3801
3802<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3805a peak with a left click on the left hand row number, hold Ctrl key down to add
3806more peaks to your selection. Each peak selected will show as a green 3-D cross
3807on the crystal structure plot.</p>
3808
3809<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3810style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3811style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3812<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3813style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3814
3815<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3816auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3817style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3818style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3819style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3820peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3821Atoms</a> list. They will be appended to the end of each list each with the
3822name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3823drawn as small white spheres at their respective positions in the structure
3824drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3825change the atom type to whatever element you desire; it will be renamed
3826automatically.</p>
3827
3828<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3829text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3830style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3831style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3832style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3833the peaks in the map peak list; they are also removed from the crystal
3834structure drawing plot.</p>
3835
3836<div class=MsoNormal align=center style='text-align:center'><span
3837style='mso-fareast-font-family:"Times New Roman"'>
3838
3839<hr size=2 width="100%" align=center>
3840
3841</span></div>
3842
3843<div class=MsoNormal align=center style='text-align:center'><span
3844style='mso-fareast-font-family:"Times New Roman"'>
3845
3846<hr size=2 width="100%" align=center>
3847
3848</span></div>
3849
3850<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3851GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3852style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3853style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3854
3855<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3856window presents all the graphical material as a multipage tabbed set of plots
3857utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3858has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3859
3860<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3861mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3862src=graphbar.jpg
3863alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3864style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3865
3866<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3867are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3868
3869<ul type=disc>
3870 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3871     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3872     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3873 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3874     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3875     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3876 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3877     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3878     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3879     of the Back button <o:p></o:p></span></li>
3880 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3881     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3882     "Times New Roman"'>Pan: allows you to control panning across the plot
3883     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3884 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3885     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3886     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3887     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3888 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3889     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3890     "Times New Roman"'>Save: allows you to save the currently displayed plot
3891     in one of several graphical formats suitable for printing or insertion in
3892     a document.<o:p></o:p></span></li>
3893 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3894     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3895     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3896</ul>
3897
3898<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3899
3900<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3901the toolbar may be a status bar that on the left may show either an instruction
3902for a keyed input or a pull down selection of keyed input; on the right may be
3903displayed position dependent information that is updated as the mouse is moved
3904over the plot region.<o:p></o:p></span></p>
3905
3906<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3907
3908<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3909specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3910
3911<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3912
3913<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3914powder patterns that are part of your project are shown on this page. They can
3915be displayed as a stack of powder patterns, just a single pattern or as a
3916contour image of the peak intensities. What can be done here will depend on
3917which is displayed and on which item in the GSAS-II data tree you have
3918selected.<o:p></o:p></span></p>
3919
3920<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3921
3922<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3923style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3924style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3925style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3926the plot, the plot status line will show the cursor position in 2</span><span
3927style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3928style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3929intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3930Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3931style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3932
3933<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3934style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3935style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3936the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3937press&#8217; </b>&#8211; you can either press the key on the key board or
3938select from the pull down menu. For line plots:</p>
3939
3940<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3941auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3942style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3943style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3944class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3945style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3946plot of multiple powder profiles, increase the offset to the left. Does not
3947apply if only one pattern.</p>
3948
3949<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3950auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3951style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3952style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3953class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3954style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of
3955multiple powder profiles, increase the offset to the left. Does not apply if
3956only one pattern.</p>
3957
3958<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3959auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3960style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3961style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3962class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3963style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3964multiple powder profiles, increase the offset down. Does not apply if only one
3965pattern.</p>
3966
3967<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3968auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3969style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3970style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3971class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3972style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3973multiple powder profiles, increase the offset up. Does not apply if only one
3974pattern.</p>
3975
3976<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3977auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3978style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3979style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3980class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3981style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3982of multiple powder profiles, reset to no offset. Does not apply if only one
3983pattern.</p>
3984
3985<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3986auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3987style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3988style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3989class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3990style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3991y-axis to be the log10 of the intensity; difference curve is not shown for
3992log(I) on.</p>
3993
3994<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3995auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3996style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3997style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3998class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
3999style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
4000powder profiles, then a contour plot is shown of the observed intensities. All
4001data sets must be the same length as the first one to be included in the
4002contour plot.</p>
4003
4004<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4005auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4006style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
4007style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4008style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
4009x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
4010style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
4011taken at different energies on the same x-axis scale.</p>
4012
4013<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4014auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4015style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
4016style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4017</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4018normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
4019&#8211; for multiple powder profiles, this will show only the one selected from
4020the data tree. The offset options are not active.</p>
4021
4022<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4023auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
4025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
4026</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
4027normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
4028sig</b> &#8211; for the pattern selected from the data tree, this will divide
4029the observed, calculated and difference curves by the <span class=SpellE>esd</span>
4030for the data points. Other data sets are not shown.</p>
4031
4032<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4033auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4034style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
4035style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4036style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
4037profiles, only the observed curve is shown.</p>
4038
4039<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
4040style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
4041style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4042style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
4043line &#8216;key press&#8217; options are different:<o:p></o:p></span></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'>a.<span
4048style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4049class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4050"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
4051style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
4052style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
4053level chosen for the highest contour color.<o:p></o:p></span></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'>b.<span
4058style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
4059style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
4060raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
4061&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
4062
4063<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4064auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4065style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
4066style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4067class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4068"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
4069style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
4070style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4071method used to represent the contours. If selected a dialog box appears with
4072all the possible choices. Default is &#8216;nearest&#8217;; the other useful
4073choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
4074
4075<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4076auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4077style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
4078style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4079class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4080"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
4081style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
4082style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
4083color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
4084black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
4085black on white) or &#8216;gray&#8217; (for white on black). Others can be very
4086colorful (but not useful)!<o:p></o:p></span></p>
4087
4088<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
4089auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
4090style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
4091style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
4092class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
4093"Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span
4094style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span
4095style='mso-fareast-font-family:"Times New Roman"'> &#8211; this turns off
4096contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
4097
4098<p class