source: branch/MPbranch/help/gsasII.html @ 1457

Last change on this file since 1457 was 496, checked in by vondreele, 10 years ago

making 1st multiprocess version of GSAS-II

File size: 163.8 KB
Line 
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>61</o:Revision>
28  <o:TotalTime>2337</o:TotalTime>
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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-priority:9;
432        mso-style-qformat:yes;
433        mso-style-link:"Heading 4 Char";
434        mso-style-next:Normal;
435        margin-top:10.0pt;
436        margin-right:0in;
437        margin-bottom:0in;
438        margin-left:0in;
439        margin-bottom:.0001pt;
440        mso-pagination:widow-orphan lines-together;
441        page-break-after:avoid;
442        mso-outline-level:4;
443        font-size:13.0pt;
444        font-family:"Cambria","serif";
445        mso-ascii-font-family:Cambria;
446        mso-ascii-theme-font:major-latin;
447        mso-fareast-font-family:"Times New Roman";
448        mso-fareast-theme-font:major-fareast;
449        mso-hansi-font-family:Cambria;
450        mso-hansi-theme-font:major-latin;
451        mso-bidi-font-family:"Times New Roman";
452        mso-bidi-theme-font:major-bidi;
453        color:#4F81BD;
454        mso-themecolor:accent1;
455        font-weight:bold;
456        font-style:italic;}
457h5
458        {mso-style-priority:9;
459        mso-style-qformat:yes;
460        mso-style-link:"Heading 5 Char";
461        mso-margin-top-alt:auto;
462        margin-right:0in;
463        mso-margin-bottom-alt:auto;
464        margin-left:0in;
465        mso-pagination:widow-orphan;
466        mso-outline-level:5;
467        font-size:12.0pt;
468        font-family:"Times New Roman","serif";
469        mso-fareast-font-family:"Times New Roman";
470        mso-fareast-theme-font:minor-fareast;
471        color:#4F4FFF;
472        font-weight:bold;}
473a:link, span.MsoHyperlink
474        {mso-style-noshow:yes;
475        mso-style-priority:99;
476        color:blue;
477        text-decoration:underline;
478        text-underline:single;}
479a:visited, span.MsoHyperlinkFollowed
480        {mso-style-noshow:yes;
481        mso-style-priority:99;
482        color:purple;
483        text-decoration:underline;
484        text-underline:single;}
485p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
486        {mso-style-noshow:yes;
487        mso-style-priority:99;
488        mso-style-link:"Document Map Char";
489        margin:0in;
490        margin-bottom:.0001pt;
491        mso-pagination:widow-orphan;
492        font-size:8.0pt;
493        font-family:"Tahoma","sans-serif";
494        mso-fareast-font-family:"Times New Roman";
495        mso-fareast-theme-font:minor-fareast;}
496p
497        {mso-style-noshow:yes;
498        mso-style-priority:99;
499        mso-margin-top-alt:auto;
500        margin-right:0in;
501        mso-margin-bottom-alt:auto;
502        margin-left:0in;
503        mso-pagination:widow-orphan;
504        font-size:12.0pt;
505        font-family:"Times New Roman","serif";
506        mso-fareast-font-family:"Times New Roman";
507        mso-fareast-theme-font:minor-fareast;}
508pre
509        {mso-style-noshow:yes;
510        mso-style-priority:99;
511        mso-style-link:"HTML Preformatted Char";
512        margin:0in;
513        margin-bottom:.0001pt;
514        mso-pagination:widow-orphan;
515        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;
516        font-size:10.0pt;
517        font-family:"Courier New";
518        mso-fareast-font-family:"Times New Roman";}
519p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
520        {mso-style-noshow:yes;
521        mso-style-priority:99;
522        mso-style-link:"Balloon Text Char";
523        margin:0in;
524        margin-bottom:.0001pt;
525        mso-pagination:widow-orphan;
526        font-size:8.0pt;
527        font-family:"Tahoma","sans-serif";
528        mso-fareast-font-family:"Times New Roman";
529        mso-fareast-theme-font:minor-fareast;}
530span.MsoPlaceholderText
531        {mso-style-noshow:yes;
532        mso-style-priority:99;
533        mso-style-unhide:no;
534        color:gray;}
535p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
536        {mso-style-noshow:yes;
537        mso-style-priority:1;
538        mso-style-unhide:no;
539        mso-style-qformat:yes;
540        mso-style-parent:"";
541        margin:0in;
542        margin-bottom:.0001pt;
543        mso-pagination:widow-orphan;
544        font-size:12.0pt;
545        font-family:"Times New Roman","serif";
546        mso-fareast-font-family:"Times New Roman";
547        mso-fareast-theme-font:minor-fareast;}
548p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
549        {mso-style-noshow:yes;
550        mso-style-priority:34;
551        mso-style-unhide:no;
552        mso-style-qformat:yes;
553        margin-top:0in;
554        margin-right:0in;
555        margin-bottom:0in;
556        margin-left:.5in;
557        margin-bottom:.0001pt;
558        mso-add-space:auto;
559        mso-pagination:widow-orphan;
560        font-size:12.0pt;
561        font-family:"Times New Roman","serif";
562        mso-fareast-font-family:"Times New Roman";
563        mso-fareast-theme-font:minor-fareast;}
564p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
565        {mso-style-noshow:yes;
566        mso-style-priority:34;
567        mso-style-unhide:no;
568        mso-style-qformat:yes;
569        mso-style-type:export-only;
570        margin-top:0in;
571        margin-right:0in;
572        margin-bottom:0in;
573        margin-left:.5in;
574        margin-bottom:.0001pt;
575        mso-add-space:auto;
576        mso-pagination:widow-orphan;
577        font-size:12.0pt;
578        font-family:"Times New Roman","serif";
579        mso-fareast-font-family:"Times New Roman";
580        mso-fareast-theme-font:minor-fareast;}
581p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
582        {mso-style-noshow:yes;
583        mso-style-priority:34;
584        mso-style-unhide:no;
585        mso-style-qformat:yes;
586        mso-style-type:export-only;
587        margin-top:0in;
588        margin-right:0in;
589        margin-bottom:0in;
590        margin-left:.5in;
591        margin-bottom:.0001pt;
592        mso-add-space:auto;
593        mso-pagination:widow-orphan;
594        font-size:12.0pt;
595        font-family:"Times New Roman","serif";
596        mso-fareast-font-family:"Times New Roman";
597        mso-fareast-theme-font:minor-fareast;}
598p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
599        {mso-style-noshow:yes;
600        mso-style-priority:34;
601        mso-style-unhide:no;
602        mso-style-qformat:yes;
603        mso-style-type:export-only;
604        margin-top:0in;
605        margin-right:0in;
606        margin-bottom:0in;
607        margin-left:.5in;
608        margin-bottom:.0001pt;
609        mso-add-space:auto;
610        mso-pagination:widow-orphan;
611        font-size:12.0pt;
612        font-family:"Times New Roman","serif";
613        mso-fareast-font-family:"Times New Roman";
614        mso-fareast-theme-font:minor-fareast;}
615span.Heading1Char
616        {mso-style-name:"Heading 1 Char";
617        mso-style-priority:9;
618        mso-style-unhide:no;
619        mso-style-locked:yes;
620        mso-style-link:"Heading 1";
621        mso-ansi-font-size:14.0pt;
622        mso-bidi-font-size:14.0pt;
623        font-family:"Cambria","serif";
624        mso-ascii-font-family:Cambria;
625        mso-ascii-theme-font:major-latin;
626        mso-fareast-font-family:"Times New Roman";
627        mso-fareast-theme-font:major-fareast;
628        mso-hansi-font-family:Cambria;
629        mso-hansi-theme-font:major-latin;
630        mso-bidi-font-family:"Times New Roman";
631        mso-bidi-theme-font:major-bidi;
632        color:#365F91;
633        mso-themecolor:accent1;
634        mso-themeshade:191;
635        font-weight:bold;}
636span.Heading2Char
637        {mso-style-name:"Heading 2 Char";
638        mso-style-noshow:yes;
639        mso-style-priority:9;
640        mso-style-unhide:no;
641        mso-style-locked:yes;
642        mso-style-link:"Heading 2";
643        mso-ansi-font-size:13.0pt;
644        mso-bidi-font-size:13.0pt;
645        font-family:"Cambria","serif";
646        mso-ascii-font-family:Cambria;
647        mso-ascii-theme-font:major-latin;
648        mso-fareast-font-family:"Times New Roman";
649        mso-fareast-theme-font:major-fareast;
650        mso-hansi-font-family:Cambria;
651        mso-hansi-theme-font:major-latin;
652        mso-bidi-font-family:"Times New Roman";
653        mso-bidi-theme-font:major-bidi;
654        color:#4F81BD;
655        mso-themecolor:accent1;
656        font-weight:bold;}
657span.Heading3Char
658        {mso-style-name:"Heading 3 Char";
659        mso-style-noshow:yes;
660        mso-style-priority:9;
661        mso-style-unhide:no;
662        mso-style-locked:yes;
663        mso-style-link:"Heading 3";
664        mso-ansi-font-size:12.0pt;
665        mso-bidi-font-size:12.0pt;
666        font-family:"Cambria","serif";
667        mso-ascii-font-family:Cambria;
668        mso-ascii-theme-font:major-latin;
669        mso-fareast-font-family:"Times New Roman";
670        mso-fareast-theme-font:major-fareast;
671        mso-hansi-font-family:Cambria;
672        mso-hansi-theme-font:major-latin;
673        mso-bidi-font-family:"Times New Roman";
674        mso-bidi-theme-font:major-bidi;
675        color:#4F81BD;
676        mso-themecolor:accent1;
677        font-weight:bold;}
678span.Heading4Char
679        {mso-style-name:"Heading 4 Char";
680        mso-style-priority:9;
681        mso-style-unhide:no;
682        mso-style-locked:yes;
683        mso-style-link:"Heading 4";
684        mso-ansi-font-size:12.0pt;
685        mso-bidi-font-size:12.0pt;
686        font-family:"Cambria","serif";
687        mso-ascii-font-family:Cambria;
688        mso-ascii-theme-font:major-latin;
689        mso-fareast-font-family:"Times New Roman";
690        mso-fareast-theme-font:major-fareast;
691        mso-hansi-font-family:Cambria;
692        mso-hansi-theme-font:major-latin;
693        mso-bidi-font-family:"Times New Roman";
694        mso-bidi-theme-font:major-bidi;
695        color:#4F81BD;
696        mso-themecolor:accent1;
697        font-weight:bold;
698        font-style:italic;}
699span.Heading5Char
700        {mso-style-name:"Heading 5 Char";
701        mso-style-priority:9;
702        mso-style-unhide:no;
703        mso-style-locked:yes;
704        mso-style-link:"Heading 5";
705        mso-ansi-font-size:12.0pt;
706        mso-bidi-font-size:12.0pt;
707        font-family:"Cambria","serif";
708        mso-ascii-font-family:Cambria;
709        mso-ascii-theme-font:major-latin;
710        mso-fareast-font-family:"Times New Roman";
711        mso-fareast-theme-font:major-fareast;
712        mso-hansi-font-family:Cambria;
713        mso-hansi-theme-font:major-latin;
714        mso-bidi-font-family:"Times New Roman";
715        mso-bidi-theme-font:major-bidi;
716        color:#243F60;
717        mso-themecolor:accent1;
718        mso-themeshade:127;}
719span.HTMLPreformattedChar
720        {mso-style-name:"HTML Preformatted Char";
721        mso-style-noshow:yes;
722        mso-style-priority:99;
723        mso-style-unhide:no;
724        mso-style-locked:yes;
725        mso-style-link:"HTML Preformatted";
726        font-family:"Courier New";
727        mso-ascii-font-family:"Courier New";
728        mso-hansi-font-family:"Courier New";
729        mso-bidi-font-family:"Courier New";}
730span.DocumentMapChar
731        {mso-style-name:"Document Map Char";
732        mso-style-noshow:yes;
733        mso-style-priority:99;
734        mso-style-unhide:no;
735        mso-style-locked:yes;
736        mso-style-link:"Document Map";
737        mso-ansi-font-size:8.0pt;
738        mso-bidi-font-size:8.0pt;
739        font-family:"Tahoma","sans-serif";
740        mso-ascii-font-family:Tahoma;
741        mso-fareast-font-family:"Times New Roman";
742        mso-fareast-theme-font:minor-fareast;
743        mso-hansi-font-family:Tahoma;
744        mso-bidi-font-family:Tahoma;}
745span.BalloonTextChar
746        {mso-style-name:"Balloon Text Char";
747        mso-style-noshow:yes;
748        mso-style-priority:99;
749        mso-style-unhide:no;
750        mso-style-locked:yes;
751        mso-style-link:"Balloon Text";
752        mso-ansi-font-size:8.0pt;
753        mso-bidi-font-size:8.0pt;
754        font-family:"Tahoma","sans-serif";
755        mso-ascii-font-family:Tahoma;
756        mso-fareast-font-family:"Times New Roman";
757        mso-fareast-theme-font:minor-fareast;
758        mso-hansi-font-family:Tahoma;
759        mso-bidi-font-family:Tahoma;}
760span.SpellE
761        {mso-style-name:"";
762        mso-spl-e:yes;}
763span.GramE
764        {mso-style-name:"";
765        mso-gram-e:yes;}
766.MsoChpDefault
767        {mso-style-type:export-only;
768        mso-default-props:yes;
769        font-size:10.0pt;
770        mso-ansi-font-size:10.0pt;
771        mso-bidi-font-size:10.0pt;}
772@page WordSection1
773        {size:8.5in 11.0in;
774        margin:1.0in 1.0in 1.0in 1.0in;
775        mso-header-margin:.5in;
776        mso-footer-margin:.5in;
777        mso-paper-source:0;}
778div.WordSection1
779        {page:WordSection1;}
780 /* List Definitions */
781 @list l0
782        {mso-list-id:142163818;
783        mso-list-type:hybrid;
784        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
785@list l0:level1
786        {mso-level-tab-stop:none;
787        mso-level-number-position:left;
788        text-indent:-.25in;}
789@list l0:level2
790        {mso-level-number-format:alpha-lower;
791        mso-level-tab-stop:none;
792        mso-level-number-position:left;
793        text-indent:-.25in;}
794@list l0:level3
795        {mso-level-number-format:roman-lower;
796        mso-level-tab-stop:none;
797        mso-level-number-position:right;
798        text-indent:-9.0pt;}
799@list l0:level4
800        {mso-level-tab-stop:2.0in;
801        mso-level-number-position:left;
802        text-indent:-.25in;}
803@list l0:level5
804        {mso-level-tab-stop:2.5in;
805        mso-level-number-position:left;
806        text-indent:-.25in;}
807@list l0:level6
808        {mso-level-tab-stop:3.0in;
809        mso-level-number-position:left;
810        text-indent:-.25in;}
811@list l0:level7
812        {mso-level-tab-stop:3.5in;
813        mso-level-number-position:left;
814        text-indent:-.25in;}
815@list l0:level8
816        {mso-level-tab-stop:4.0in;
817        mso-level-number-position:left;
818        text-indent:-.25in;}
819@list l0:level9
820        {mso-level-tab-stop:4.5in;
821        mso-level-number-position:left;
822        text-indent:-.25in;}
823@list l1
824        {mso-list-id:203979460;
825        mso-list-template-ids:88359672;}
826@list l1:level1
827        {mso-level-number-format:bullet;
828        mso-level-text:\F0B7;
829        mso-level-tab-stop:.5in;
830        mso-level-number-position:left;
831        text-indent:-.25in;
832        mso-ansi-font-size:10.0pt;
833        font-family:Symbol;}
834@list l1:level2
835        {mso-level-tab-stop:1.0in;
836        mso-level-number-position:left;
837        text-indent:-.25in;}
838@list l1:level3
839        {mso-level-tab-stop:1.5in;
840        mso-level-number-position:left;
841        text-indent:-.25in;}
842@list l1:level4
843        {mso-level-tab-stop:2.0in;
844        mso-level-number-position:left;
845        text-indent:-.25in;}
846@list l1:level5
847        {mso-level-tab-stop:2.5in;
848        mso-level-number-position:left;
849        text-indent:-.25in;}
850@list l1:level6
851        {mso-level-tab-stop:3.0in;
852        mso-level-number-position:left;
853        text-indent:-.25in;}
854@list l1:level7
855        {mso-level-tab-stop:3.5in;
856        mso-level-number-position:left;
857        text-indent:-.25in;}
858@list l1:level8
859        {mso-level-tab-stop:4.0in;
860        mso-level-number-position:left;
861        text-indent:-.25in;}
862@list l1:level9
863        {mso-level-tab-stop:4.5in;
864        mso-level-number-position:left;
865        text-indent:-.25in;}
866@list l2
867        {mso-list-id:268514595;
868        mso-list-type:hybrid;
869        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
870@list l2:level1
871        {mso-level-number-format:alpha-lower;
872        mso-level-tab-stop:none;
873        mso-level-number-position:left;
874        margin-left:1.0in;
875        text-indent:-.25in;
876        mso-ansi-font-weight:normal;}
877@list l2:level2
878        {mso-level-tab-stop:1.0in;
879        mso-level-number-position:left;
880        text-indent:-.25in;}
881@list l2:level3
882        {mso-level-tab-stop:112.5pt;
883        mso-level-number-position:left;
884        margin-left:112.5pt;
885        text-indent:-.25in;}
886@list l2:level4
887        {mso-level-tab-stop:2.0in;
888        mso-level-number-position:left;
889        text-indent:-.25in;}
890@list l2:level5
891        {mso-level-tab-stop:2.5in;
892        mso-level-number-position:left;
893        text-indent:-.25in;}
894@list l2:level6
895        {mso-level-tab-stop:3.0in;
896        mso-level-number-position:left;
897        text-indent:-.25in;}
898@list l2:level7
899        {mso-level-tab-stop:3.5in;
900        mso-level-number-position:left;
901        text-indent:-.25in;}
902@list l2:level8
903        {mso-level-tab-stop:4.0in;
904        mso-level-number-position:left;
905        text-indent:-.25in;}
906@list l2:level9
907        {mso-level-tab-stop:4.5in;
908        mso-level-number-position:left;
909        text-indent:-.25in;}
910@list l3
911        {mso-list-id:617220658;
912        mso-list-type:hybrid;
913        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
914@list l3:level1
915        {mso-level-tab-stop:none;
916        mso-level-number-position:left;
917        text-indent:-.25in;}
918@list l3:level2
919        {mso-level-tab-stop:1.0in;
920        mso-level-number-position:left;
921        text-indent:-.25in;}
922@list l3:level3
923        {mso-level-tab-stop:1.5in;
924        mso-level-number-position:left;
925        text-indent:-.25in;}
926@list l3:level4
927        {mso-level-tab-stop:2.0in;
928        mso-level-number-position:left;
929        text-indent:-.25in;}
930@list l3:level5
931        {mso-level-tab-stop:2.5in;
932        mso-level-number-position:left;
933        text-indent:-.25in;}
934@list l3:level6
935        {mso-level-tab-stop:3.0in;
936        mso-level-number-position:left;
937        text-indent:-.25in;}
938@list l3:level7
939        {mso-level-tab-stop:3.5in;
940        mso-level-number-position:left;
941        text-indent:-.25in;}
942@list l3:level8
943        {mso-level-tab-stop:4.0in;
944        mso-level-number-position:left;
945        text-indent:-.25in;}
946@list l3:level9
947        {mso-level-tab-stop:4.5in;
948        mso-level-number-position:left;
949        text-indent:-.25in;}
950@list l4
951        {mso-list-id:656106218;
952        mso-list-type:hybrid;
953        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
954@list l4:level1
955        {mso-level-tab-stop:none;
956        mso-level-number-position:left;
957        text-indent:-.25in;}
958@list l4:level2
959        {mso-level-tab-stop:1.0in;
960        mso-level-number-position:left;
961        text-indent:-.25in;}
962@list l4:level3
963        {mso-level-tab-stop:1.5in;
964        mso-level-number-position:left;
965        text-indent:-.25in;}
966@list l4:level4
967        {mso-level-tab-stop:2.0in;
968        mso-level-number-position:left;
969        text-indent:-.25in;}
970@list l4:level5
971        {mso-level-tab-stop:2.5in;
972        mso-level-number-position:left;
973        text-indent:-.25in;}
974@list l4:level6
975        {mso-level-tab-stop:3.0in;
976        mso-level-number-position:left;
977        text-indent:-.25in;}
978@list l4:level7
979        {mso-level-tab-stop:3.5in;
980        mso-level-number-position:left;
981        text-indent:-.25in;}
982@list l4:level8
983        {mso-level-tab-stop:4.0in;
984        mso-level-number-position:left;
985        text-indent:-.25in;}
986@list l4:level9
987        {mso-level-tab-stop:4.5in;
988        mso-level-number-position:left;
989        text-indent:-.25in;}
990@list l5
991        {mso-list-id:734669460;
992        mso-list-type:hybrid;
993        mso-list-template-ids:1215081880 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
994@list l5:level1
995        {mso-level-tab-stop:none;
996        mso-level-number-position:left;
997        text-indent:-.25in;}
998@list l5:level2
999        {mso-level-tab-stop:1.0in;
1000        mso-level-number-position:left;
1001        text-indent:-.25in;}
1002@list l5:level3
1003        {mso-level-tab-stop:1.5in;
1004        mso-level-number-position:left;
1005        text-indent:-.25in;}
1006@list l5:level4
1007        {mso-level-tab-stop:2.0in;
1008        mso-level-number-position:left;
1009        text-indent:-.25in;}
1010@list l5:level5
1011        {mso-level-tab-stop:2.5in;
1012        mso-level-number-position:left;
1013        text-indent:-.25in;}
1014@list l5:level6
1015        {mso-level-tab-stop:3.0in;
1016        mso-level-number-position:left;
1017        text-indent:-.25in;}
1018@list l5:level7
1019        {mso-level-tab-stop:3.5in;
1020        mso-level-number-position:left;
1021        text-indent:-.25in;}
1022@list l5:level8
1023        {mso-level-tab-stop:4.0in;
1024        mso-level-number-position:left;
1025        text-indent:-.25in;}
1026@list l5:level9
1027        {mso-level-tab-stop:4.5in;
1028        mso-level-number-position:left;
1029        text-indent:-.25in;}
1030@list l6
1031        {mso-list-id:919948450;
1032        mso-list-type:hybrid;
1033        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1034@list l6:level1
1035        {mso-level-tab-stop:none;
1036        mso-level-number-position:left;
1037        text-indent:-.25in;}
1038@list l6:level2
1039        {mso-level-tab-stop:1.0in;
1040        mso-level-number-position:left;
1041        text-indent:-.25in;}
1042@list l6:level3
1043        {mso-level-tab-stop:1.5in;
1044        mso-level-number-position:left;
1045        text-indent:-.25in;}
1046@list l6:level4
1047        {mso-level-tab-stop:2.0in;
1048        mso-level-number-position:left;
1049        text-indent:-.25in;}
1050@list l6:level5
1051        {mso-level-tab-stop:2.5in;
1052        mso-level-number-position:left;
1053        text-indent:-.25in;}
1054@list l6:level6
1055        {mso-level-tab-stop:3.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l6:level7
1059        {mso-level-tab-stop:3.5in;
1060        mso-level-number-position:left;
1061        text-indent:-.25in;}
1062@list l6:level8
1063        {mso-level-tab-stop:4.0in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l6:level9
1067        {mso-level-tab-stop:4.5in;
1068        mso-level-number-position:left;
1069        text-indent:-.25in;}
1070@list l7
1071        {mso-list-id:1035230400;
1072        mso-list-type:hybrid;
1073        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1074@list l7:level1
1075        {mso-level-tab-stop:none;
1076        mso-level-number-position:left;
1077        text-indent:-.25in;}
1078@list l7:level2
1079        {mso-level-number-format:alpha-lower;
1080        mso-level-tab-stop:none;
1081        mso-level-number-position:left;
1082        text-indent:-.25in;}
1083@list l7:level3
1084        {mso-level-tab-stop:1.5in;
1085        mso-level-number-position:left;
1086        text-indent:-.25in;}
1087@list l7:level4
1088        {mso-level-tab-stop:2.0in;
1089        mso-level-number-position:left;
1090        text-indent:-.25in;}
1091@list l7:level5
1092        {mso-level-tab-stop:2.5in;
1093        mso-level-number-position:left;
1094        text-indent:-.25in;}
1095@list l7:level6
1096        {mso-level-tab-stop:3.0in;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l7:level7
1100        {mso-level-tab-stop:3.5in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l7:level8
1104        {mso-level-tab-stop:4.0in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l7:level9
1108        {mso-level-tab-stop:4.5in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l8
1112        {mso-list-id:1074664733;
1113        mso-list-type:hybrid;
1114        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1115@list l8:level1
1116        {mso-level-number-format:alpha-lower;
1117        mso-level-tab-stop:none;
1118        mso-level-number-position:left;
1119        margin-left:1.0in;
1120        text-indent:-.25in;
1121        mso-ansi-font-weight:normal;}
1122@list l8:level2
1123        {mso-level-number-format:alpha-lower;
1124        mso-level-tab-stop:none;
1125        mso-level-number-position:left;
1126        text-indent:-.25in;}
1127@list l8:level3
1128        {mso-level-tab-stop:1.5in;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l8:level4
1132        {mso-level-tab-stop:2.0in;
1133        mso-level-number-position:left;
1134        text-indent:-.25in;}
1135@list l8:level5
1136        {mso-level-tab-stop:2.5in;
1137        mso-level-number-position:left;
1138        text-indent:-.25in;}
1139@list l8:level6
1140        {mso-level-tab-stop:3.0in;
1141        mso-level-number-position:left;
1142        text-indent:-.25in;}
1143@list l8:level7
1144        {mso-level-tab-stop:3.5in;
1145        mso-level-number-position:left;
1146        text-indent:-.25in;}
1147@list l8:level8
1148        {mso-level-tab-stop:4.0in;
1149        mso-level-number-position:left;
1150        text-indent:-.25in;}
1151@list l8:level9
1152        {mso-level-tab-stop:4.5in;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l9
1156        {mso-list-id:1162892763;
1157        mso-list-type:hybrid;
1158        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1159@list l9:level1
1160        {mso-level-number-format:alpha-lower;
1161        mso-level-tab-stop:none;
1162        mso-level-number-position:left;
1163        margin-left:1.0in;
1164        text-indent:-.25in;}
1165@list l9:level2
1166        {mso-level-tab-stop:1.0in;
1167        mso-level-number-position:left;
1168        text-indent:-.25in;}
1169@list l9:level3
1170        {mso-level-tab-stop:1.5in;
1171        mso-level-number-position:left;
1172        text-indent:-.25in;}
1173@list l9:level4
1174        {mso-level-tab-stop:2.0in;
1175        mso-level-number-position:left;
1176        text-indent:-.25in;}
1177@list l9:level5
1178        {mso-level-tab-stop:2.5in;
1179        mso-level-number-position:left;
1180        text-indent:-.25in;}
1181@list l9:level6
1182        {mso-level-tab-stop:3.0in;
1183        mso-level-number-position:left;
1184        text-indent:-.25in;}
1185@list l9:level7
1186        {mso-level-tab-stop:3.5in;
1187        mso-level-number-position:left;
1188        text-indent:-.25in;}
1189@list l9:level8
1190        {mso-level-tab-stop:4.0in;
1191        mso-level-number-position:left;
1192        text-indent:-.25in;}
1193@list l9:level9
1194        {mso-level-tab-stop:4.5in;
1195        mso-level-number-position:left;
1196        text-indent:-.25in;}
1197@list l10
1198        {mso-list-id:1323200535;
1199        mso-list-type:hybrid;
1200        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1201@list l10:level1
1202        {mso-level-number-format:alpha-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:left;
1205        margin-left:1.0in;
1206        text-indent:-.25in;}
1207@list l10:level2
1208        {mso-level-tab-stop:1.0in;
1209        mso-level-number-position:left;
1210        text-indent:-.25in;}
1211@list l10:level3
1212        {mso-level-tab-stop:1.5in;
1213        mso-level-number-position:left;
1214        text-indent:-.25in;}
1215@list l10:level4
1216        {mso-level-tab-stop:2.0in;
1217        mso-level-number-position:left;
1218        text-indent:-.25in;}
1219@list l10:level5
1220        {mso-level-tab-stop:2.5in;
1221        mso-level-number-position:left;
1222        text-indent:-.25in;}
1223@list l10:level6
1224        {mso-level-tab-stop:3.0in;
1225        mso-level-number-position:left;
1226        text-indent:-.25in;}
1227@list l10:level7
1228        {mso-level-tab-stop:3.5in;
1229        mso-level-number-position:left;
1230        text-indent:-.25in;}
1231@list l10:level8
1232        {mso-level-tab-stop:4.0in;
1233        mso-level-number-position:left;
1234        text-indent:-.25in;}
1235@list l10:level9
1236        {mso-level-tab-stop:4.5in;
1237        mso-level-number-position:left;
1238        text-indent:-.25in;}
1239@list l11
1240        {mso-list-id:1326516832;
1241        mso-list-type:hybrid;
1242        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1243@list l11:level1
1244        {mso-level-tab-stop:none;
1245        mso-level-number-position:left;
1246        text-indent:-.25in;}
1247@list l11:level2
1248        {mso-level-tab-stop:1.0in;
1249        mso-level-number-position:left;
1250        text-indent:-.25in;}
1251@list l11:level3
1252        {mso-level-tab-stop:1.5in;
1253        mso-level-number-position:left;
1254        text-indent:-.25in;}
1255@list l11:level4
1256        {mso-level-tab-stop:2.0in;
1257        mso-level-number-position:left;
1258        text-indent:-.25in;}
1259@list l11:level5
1260        {mso-level-tab-stop:2.5in;
1261        mso-level-number-position:left;
1262        text-indent:-.25in;}
1263@list l11:level6
1264        {mso-level-tab-stop:3.0in;
1265        mso-level-number-position:left;
1266        text-indent:-.25in;}
1267@list l11:level7
1268        {mso-level-tab-stop:3.5in;
1269        mso-level-number-position:left;
1270        text-indent:-.25in;}
1271@list l11:level8
1272        {mso-level-tab-stop:4.0in;
1273        mso-level-number-position:left;
1274        text-indent:-.25in;}
1275@list l11:level9
1276        {mso-level-tab-stop:4.5in;
1277        mso-level-number-position:left;
1278        text-indent:-.25in;}
1279@list l12
1280        {mso-list-id:1453328047;
1281        mso-list-type:hybrid;
1282        mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1283@list l12:level1
1284        {mso-level-number-format:alpha-lower;
1285        mso-level-tab-stop:none;
1286        mso-level-number-position:left;
1287        margin-left:1.0in;
1288        text-indent:-.25in;
1289        mso-ansi-font-weight:normal;}
1290@list l12:level2
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1298@list l12:level4
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1301        text-indent:-.25in;}
1302@list l12:level5
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1305        text-indent:-.25in;}
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1308        mso-level-number-position:left;
1309        text-indent:-.25in;}
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1313        text-indent:-.25in;}
1314@list l12:level8
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1318@list l12:level9
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1334        text-indent:-.25in;}
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1337        mso-level-number-position:left;
1338        text-indent:-.25in;}
1339@list l13:level4
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1341        mso-level-number-position:left;
1342        text-indent:-.25in;}
1343@list l13:level5
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1347@list l13:level6
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1351@list l13:level7
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1383@list l14:level4
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1390        text-indent:-.25in;}
1391@list l14:level6
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1393        mso-level-number-position:left;
1394        text-indent:-.25in;}
1395@list l14:level7
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1397        mso-level-number-position:left;
1398        text-indent:-.25in;}
1399@list l14:level8
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1403@list l14:level9
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1406        text-indent:-.25in;}
1407@list l15
1408        {mso-list-id:1753089587;
1409        mso-list-template-ids:1555050902;}
1410@list l15:level1
1411        {mso-level-tab-stop:none;
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1413        text-indent:-.25in;}
1414@list l15:level2
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1416        mso-level-number-position:left;
1417        text-indent:-.25in;}
1418@list l15:level3
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1420        mso-level-number-position:left;
1421        text-indent:-.25in;}
1422@list l15:level4
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1425        text-indent:-.25in;}
1426@list l15:level5
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1429        text-indent:-.25in;}
1430@list l15:level6
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1432        mso-level-number-position:left;
1433        text-indent:-.25in;}
1434@list l15:level7
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1436        mso-level-number-position:left;
1437        text-indent:-.25in;}
1438@list l15:level8
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1441        text-indent:-.25in;}
1442@list l15:level9
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1450        {mso-level-tab-stop:none;
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1457@list l16:level3
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1461@list l16:level4
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1464        text-indent:-.25in;}
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1467        mso-level-number-position:left;
1468        text-indent:-.25in;}
1469@list l16:level6
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1471        mso-level-number-position:left;
1472        text-indent:-.25in;}
1473@list l16:level7
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1475        mso-level-number-position:left;
1476        text-indent:-.25in;}
1477@list l16:level8
1478        {mso-level-tab-stop:4.0in;
1479        mso-level-number-position:left;
1480        text-indent:-.25in;}
1481@list l16:level9
1482        {mso-level-tab-stop:4.5in;
1483        mso-level-number-position:left;
1484        text-indent:-.25in;}
1485@list l17
1486        {mso-list-id:2095858496;
1487        mso-list-type:hybrid;
1488        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1489@list l17:level1
1490        {mso-level-tab-stop:none;
1491        mso-level-number-position:left;
1492        text-indent:-.25in;}
1493@list l17:level2
1494        {mso-level-tab-stop:1.0in;
1495        mso-level-number-position:left;
1496        text-indent:-.25in;}
1497@list l17:level3
1498        {mso-level-tab-stop:1.5in;
1499        mso-level-number-position:left;
1500        text-indent:-.25in;}
1501@list l17:level4
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1503        mso-level-number-position:left;
1504        text-indent:-.25in;}
1505@list l17:level5
1506        {mso-level-tab-stop:2.5in;
1507        mso-level-number-position:left;
1508        text-indent:-.25in;}
1509@list l17:level6
1510        {mso-level-tab-stop:3.0in;
1511        mso-level-number-position:left;
1512        text-indent:-.25in;}
1513@list l17:level7
1514        {mso-level-tab-stop:3.5in;
1515        mso-level-number-position:left;
1516        text-indent:-.25in;}
1517@list l17:level8
1518        {mso-level-tab-stop:4.0in;
1519        mso-level-number-position:left;
1520        text-indent:-.25in;}
1521@list l17:level9
1522        {mso-level-tab-stop:4.5in;
1523        mso-level-number-position:left;
1524        text-indent:-.25in;}
1525@list l18
1526        {mso-list-id:2096583681;
1527        mso-list-type:hybrid;
1528        mso-list-template-ids:-393712734 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1529@list l18:level1
1530        {mso-level-tab-stop:none;
1531        mso-level-number-position:left;
1532        text-indent:-.25in;}
1533@list l18:level2
1534        {mso-level-tab-stop:1.0in;
1535        mso-level-number-position:left;
1536        text-indent:-.25in;}
1537@list l18:level3
1538        {mso-level-tab-stop:1.5in;
1539        mso-level-number-position:left;
1540        text-indent:-.25in;}
1541@list l18:level4
1542        {mso-level-tab-stop:2.0in;
1543        mso-level-number-position:left;
1544        text-indent:-.25in;}
1545@list l18:level5
1546        {mso-level-tab-stop:2.5in;
1547        mso-level-number-position:left;
1548        text-indent:-.25in;}
1549@list l18:level6
1550        {mso-level-tab-stop:3.0in;
1551        mso-level-number-position:left;
1552        text-indent:-.25in;}
1553@list l18:level7
1554        {mso-level-tab-stop:3.5in;
1555        mso-level-number-position:left;
1556        text-indent:-.25in;}
1557@list l18:level8
1558        {mso-level-tab-stop:4.0in;
1559        mso-level-number-position:left;
1560        text-indent:-.25in;}
1561@list l18:level9
1562        {mso-level-tab-stop:4.5in;
1563        mso-level-number-position:left;
1564        text-indent:-.25in;}
1565ol
1566        {margin-bottom:0in;}
1567ul
1568        {margin-bottom:0in;}
1569-->
1570</style>
1571<!--[if gte mso 10]>
1572<style>
1573 /* Style Definitions */
1574 table.MsoNormalTable
1575        {mso-style-name:"Table Normal";
1576        mso-tstyle-rowband-size:0;
1577        mso-tstyle-colband-size:0;
1578        mso-style-noshow:yes;
1579        mso-style-priority:99;
1580        mso-style-qformat:yes;
1581        mso-style-parent:"";
1582        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1583        mso-para-margin:0in;
1584        mso-para-margin-bottom:.0001pt;
1585        mso-pagination:widow-orphan;
1586        font-size:10.0pt;
1587        font-family:"Times New Roman","serif";}
1588</style>
1589<![endif]-->
1590<link href=gsasIIfav.png rel="SHORTCUT ICON">
1591<!--[if gte mso 9]><xml>
1592 <o:shapedefaults v:ext="edit" spidmax="12290"/>
1593</xml><![endif]--><!--[if gte mso 9]><xml>
1594 <o:shapelayout v:ext="edit">
1595  <o:idmap v:ext="edit" data="1"/>
1596 </o:shapelayout></xml><![endif]-->
1597</head>
1598
1599<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1600
1601<div class=WordSection1>
1602
1603<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
1604 o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f"
1605 stroked="f">
1606 <v:stroke joinstyle="miter"/>
1607 <v:formulas>
1608  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1609  <v:f eqn="sum @0 1 0"/>
1610  <v:f eqn="sum 0 0 @1"/>
1611  <v:f eqn="prod @2 1 2"/>
1612  <v:f eqn="prod @3 21600 pixelWidth"/>
1613  <v:f eqn="prod @3 21600 pixelHeight"/>
1614  <v:f eqn="sum @0 0 1"/>
1615  <v:f eqn="prod @6 1 2"/>
1616  <v:f eqn="prod @7 21600 pixelWidth"/>
1617  <v:f eqn="sum @8 21600 0"/>
1618  <v:f eqn="prod @7 21600 pixelHeight"/>
1619  <v:f eqn="sum @10 21600 0"/>
1620 </v:formulas>
1621 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1622 <o:lock v:ext="edit" aspectratio="t"/>
1623</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1041" type="#_x0000_t75"
1624 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0;
1625 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square;
1626 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
1627 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1628 mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1629 mso-position-vertical-relative:line' o:allowoverlap="f">
1630 <v:imagedata src="gsas2logo.png"/>
1631 <w:wrap type="square" anchory="line"/>
1632</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1633align=right alt="GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1634style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1635
1636<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1637is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1638operates with three windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1639window, which provides a hierarchical view of the current project; the <a
1640href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1641a particular section of the project, where values can be examined and changed;
1642and the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1643representations of the results. <o:p></o:p></span></p>
1644
1645<div class=MsoNormal align=center style='text-align:center'><span
1646style='mso-fareast-font-family:"Times New Roman"'>
1647
1648<hr size=2 width="100%" align=center>
1649
1650</span></div>
1651
1652<div class=MsoNormal align=center style='text-align:center'><span
1653style='mso-fareast-font-family:"Times New Roman"'>
1654
1655<hr size=2 width="100%" align=center>
1656
1657</span></div>
1658
1659<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
1660GSAS-II data tree<o:p></o:p></span></h2>
1661
1662<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1663is a hierarchical view of the data items in your GSAS-II project (name.gpx).
1664Clicking on any item in the window opens a view where information in that item
1665can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
1666Parameters&quot;</a> item contains information about how data were collected,
1667such as the sample temperature <a href="#Sample_Parameters">(see below)</a>. <o:p></o:p></span></p>
1668
1669<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
1670
1671<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1672menus associated with this window provide access to many features of GSAS-II,
1673as outlined below: <o:p></o:p></span></p>
1674
1675<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
1676style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1677style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1678&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
1679
1680<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1681auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1682style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1683style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1684style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
1685saved GSAS-II project file (name.gpx). If you currently have a project file
1686open, you are asked if it is OK to over write it; Cancel will cancel the
1687process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
1688class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
1689of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
1690to e.g. name.gpx to overwrite the current version. Otherwise you may get
1691backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
1692
1693<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1694auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1695style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1696style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1697style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
1698project. If a file name is shown after &#8216;Loaded <span class=GramE>Data:&#8217;<span
1699style='mso-fareast-font-family:"Times New Roman"'>,</span></span><span
1700style='mso-fareast-font-family:"Times New Roman"'> it will be saved there.
1701Otherwise, you will be prompted for a new name in a file dialog (you may change
1702directory as well). If the file exists, you will be asked if it OK to
1703overwrite.</span></p>
1704
1705<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1706auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1707style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1708style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1709style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
1710As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
1711Save the current project to a new file. A file dialog will be shown to enter
1712the name (and change directory if desired). If the file exists, you will be
1713asked if it OK to overwrite.</span></p>
1714
1715<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1716auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1717style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1718style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1719style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
1720project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1721&#8211; Close the current project; you will be asked if you want to save it
1722first.</span></p>
1723
1724<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1725auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1726style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1727style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1728style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
1729style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
1730program; if there is a current project you will be asked if you want to save it
1731first. Pressing the red X in the upper right (Windows) also exits (no save
1732option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
1733
1734<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
1735style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1736style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1737&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
1738
1739<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1740auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1741style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1742style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1743style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
1744powder diffraction patterns (multiple patterns can be selected). GSAS-II can
1745read most of the old GSAS powder format files with the position in <span
1746class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
1747class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
1748where the position is in degrees 2-theta. As each file is read, an old GSAS
1749style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
1750class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
1751data set is assumed. </p>
1752
1753<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1754auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1755style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1756style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1757style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
1758powder diffraction images (multiple patterns can be selected). GSAS-II can read
1759many different image file formats including MAR345 files, Quantum ADSC files,
1760and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
1761formats have data fields that should contain relevant information for the
1762exposure (e.g. wavelength), these are rarely filled in correctly by the data
1763acquisition software. Thus, you should have separately noted this information
1764as it will be needed</p>
1765
1766<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1767auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1768style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1769style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1770style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
1771in a list of powder pattern peak positions as either a d-spacing table or a set
1772of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
1773GSAS-II powder pattern indexing. </p>
1774
1775<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1776auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1777style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1778style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1779style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
1780
1781<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1782auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1784style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1785style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
1786
1787<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1788auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1789style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1790style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1791style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
1792
1793<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1794auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1795style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
1796style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1797style='mso-bidi-font-weight:normal'>Add phase</b> - </p>
1798
1799<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1800auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1801style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
1802style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1803style='mso-bidi-font-weight:normal'>Delete phase</b> - </p>
1804
1805<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1806auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1807style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
1808style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1809</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
1810data</b> - </p>
1811
1812<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1813auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1814style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
1815style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1816</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
1817data</b> - </p>
1818
1819<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
1820style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1821style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1822&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
1823
1824<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1825auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1826style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1827style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1828style='mso-bidi-font-weight:normal'>Make new PDFs</b> - </p>
1829
1830<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1831auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1832style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1833style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1834style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
1835- </p>
1836
1837<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1838auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1841style='mso-bidi-font-weight:normal'>Refine</b> - </p>
1842
1843<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1844auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1845style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1846style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1847style='mso-bidi-font-weight:normal'>Sequential refine</b> - </p>
1848
1849<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1850auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1851style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1852style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1853style='mso-bidi-font-weight:normal'>Solve</b> - </p>
1854
1855<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
1856style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1857style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1858&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
1859
1860<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1861auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1862style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1863style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1864style='mso-bidi-font-weight:normal'>Import Phase (generic)&#8230;</b> - </p>
1865
1866<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1867auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1868style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1869style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1870style='mso-bidi-font-weight:normal'>Import Phase (specific)</b></p>
1871
1872<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1873auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1876style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230;</b></p>
1877
1878<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1879auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1880style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1881style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1882style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b></p>
1883
1884<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1885auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1886style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1887style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1888style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b></p>
1889
1890<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
1891auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
1892style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1893style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1894style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b></p>
1895
1896<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1897auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1898style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1899style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1900style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
1901
1902<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1903auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1906style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
1907
1908<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span
1909style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1910style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1911&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
1912
1913<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1914auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1915style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1916style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1917style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
1918
1919<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1920auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1921style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1922style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1923style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
1924
1925<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1926auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1927style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1928style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1929style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
1930
1931<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1932auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1933style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1934style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1935style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
1936
1937<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1938auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1939style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1940style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1941style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
1942
1943<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
1944text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span
1945style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1946style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1947style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
1948
1949<div class=MsoNormal align=center style='text-align:center'><span
1950style='mso-fareast-font-family:"Times New Roman"'>
1951
1952<hr size=2 width="100%" align=center>
1953
1954</span></div>
1955
1956<div class=MsoNormal align=center style='text-align:center'><span
1957style='mso-fareast-font-family:"Times New Roman"'>
1958
1959<hr size=2 width="100%" align=center>
1960
1961</span></div>
1962
1963<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
1964GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
1965"Times New Roman"'><o:p></o:p></span></h2>
1966
1967<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
1968information is displayed in the Data Editing Window, depending on which section
1969of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
1970the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
1971window described below. <o:p></o:p></span></p>
1972
1973<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
1974style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1975
1976<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1977window provides a place for you to enter whatever text commentary you wish.
1978Each time you enter this window, a date/time entry is provided for you. A
1979possibly useful technique is to select a portion of the console window after a
1980refinement completes (it will contain refinement results with residuals, new
1981values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
1982window so it becomes a part of your project file.<o:p></o:p></span></p>
1983
1984<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
1985style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
1986
1987<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1988window provides the main controls for the major calculations in GSAS-II. At
1989present only Refinement Controls are presented. <o:p></o:p></span></p>
1990
1991<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
1992of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
1993MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
1994algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
1995package and a third one is a python version utilizing only the <span
1996class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
1997the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
1998nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
1999algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2000routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2001Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2002J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2003python/numpy version was developed by us based on the material in Numerical
2004Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2005&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2006algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2007
2008<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2009
2010<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
2011style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2012style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2013style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2014uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2015Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2016perhaps a bit less accurate, but may be needed if the analytic functions are
2017not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2018x M (parameters x observations) and is much larger than the Hessian matrix
2019which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2020Hessian&#8217; for routine work.<o:p></o:p></span></p>
2021
2022<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
2023style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2024style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2025style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2026delta-M/M&#8217; for convergence; the refinement will stop when the change in
2027the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2028force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2029(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2030to 1.0.<o:p></o:p></span></p>
2031
2032<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
2033style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2034style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2035style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2036Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2037the first cycle of refinement. This value is modified by the least squares
2038routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2039needed if your initial <span class=GramE>refinement</span> trials immediately
2040diverge, however make sure your starting parameter values are
2041&#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
2042performance.<o:p></o:p></span></p>
2043
2044<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
2045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2047style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2048Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2049number of least squares cycles to be performed. Least squares cycles are
2050determined by the number of times a new Hessian matrix is computes; the <span
2051class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2052several times between cycles as it finds the optimal value of the Marquardt
2053coefficient. Choices are given in the pull down selection; the default is 3
2054cycles.<o:p></o:p></span></p>
2055
2056<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span
2057style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2058style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2059style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2060refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2061
2062<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2063
2064<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2065window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2066shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2067
2068<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2069
2070<span style='mso-bookmark:Constraints'></span>
2071
2072<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2073window shows the constraints to be used in a refinement. It is organized into
2074three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2075parameters that describe aspects of the crystalline phases to be used in the
2076refinement (e.g. atom coordinates, thermal motion and site fraction
2077parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2078aspects of the pattern that depend on both the phase and the data set used in
2079the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2080"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2081and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2082that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2083and Y).<o:p></o:p></span></p>
2084
2085<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2086
2087<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo3'><![if !supportLists]><span
2088style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2089style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2090style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2091parameter types you wish to constrain. Each will have the same possibilities in
2092the &#8216;Edit menu.<o:p></o:p></span></p>
2093
2094<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo3'><![if !supportLists]><span
2095style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2096style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2097style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2098style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2099
2100<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2101auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span
2102style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2103style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2104class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2105"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2106style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2107style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2108that you wish to remain fixed although other parameters of the same type may be
2109selected as a group for refinement. For example, if the space group for a phase
2110has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2111is arbitrary and should be selected for a Hold to keep the structure from
2112drifting up or down the y-axis during refinement. If selected, a dialog box
2113will appear showing the list of available parameters; select one and then OK to
2114implement it, Cancel will cancel the operation. The held parameter will be
2115shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2116button can be used to remove it.<o:p></o:p></span></p>
2117
2118<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2119auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span
2120style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2121style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2122style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2123equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2124&#8211; select a list of parameters that should have the same value (possibly
2125with a non-unitary multiplier for some). Examples are a list of atoms with the
2126same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2127coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2128selected, a dialog box will appear with a list of the available parameters.
2129Select one and press OK; a second dialog box will appear with only those
2130parameters that can be made equivalent to the first one. Choose those and press
2131OK. Cancel in either dialog will cancel the operation. The equivalenced
2132parameters 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;
2133usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2134button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2135equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2136
2137<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2138auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span
2139style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2140style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2141style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2142constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2143&#8211; select a list of parameters whose sum (with possible non-unitary
2144multipliers) is fixed. For example, the sum of site fractions for atoms on the
2145same site could be fixed to unity. If selected, a dialog box will appear with a
2146list of the available parameters. Select one and press OK; a second dialog box
2147will appear with only those parameters that can be used in a constraint with
2148the first one. Choose those and press OK. Cancel in either dialog will cancel
2149the operation. The equivalenced parameters will show as an equation of the form
2150M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2151multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2152the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2153constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2154
2155<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2156text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span
2157style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2158style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2159style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2160function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2161&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2162the result of the sum can be varied in the refinement. The keyword
2163&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2164indicates your choice to refine the result of the sum. A Delete button can be used
2165to remove it.<o:p></o:p></span></p>
2166
2167<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2168style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2169
2170<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2171window is empty<o:p></o:p></span></p>
2172
2173<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2174
2175<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2176just yet<o:p></o:p></span></p>
2177
2178<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2179style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2180
2181<p class=MsoNormal>In this window is tabulated the results of your sequential
2182refinement. The columns are the parameter names; the naming convention is &#8216;p<span
2183class=GramE>:h:name:n&#8217;</span> where p is the phase number, h is the
2184histogram number, name is the parameter name, and num (if needed) is the item
2185number (e.g. atom number). The rows are the data sets used in the sequential refinement.</p>
2186
2187<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2188
2189<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2190
2191<h3>Histograms</h3>
2192
2193<p class=MsoNormal>These are shown in the data tree with a prefix of
2194&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2195&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2196constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2197analysis. Selection of these items does not produce any information in the data
2198window but does display the data in the Plots Window. They are described below.</p>
2199
2200<h3>Powder Histograms - PWDR</h3>
2201
2202<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2203a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2204href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2205tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2206variety of subcategories in the tree are shown. The items that are shown depend
2207on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2208
2209<h4><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2210
2211<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows whatever
2212comment lines (preceded by &#8220;#&#8221;) found when the powder data file was
2213read by GSAS-II. If you are lucky, there will be useful information here (e.g.
2214sample name, date collected, wavelength used, etc.). If not, this window will
2215be blank. The text is read-only in that anything you try to enter here is not
2216saved.</span></p>
2217
2218<span style='mso-bookmark:Comments'></span>
2219
2220<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2221style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2222
2223<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2224window shows the limits in position to be used in any fitting for this powder
2225pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2226maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2227needed.<o:p></o:p></span></p>
2228
2229<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2230
2231<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span
2232style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2233style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2234style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2235class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2236&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2237changed (the background on the box will be blue or have a black border or a
2238vertical bar will appear in the value), then enter the new value and press
2239Enter or click the mouse elsewhere in the Background window. This will set the
2240new value.<o:p></o:p></span></p>
2241
2242<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span
2243style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2244style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2245style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2246&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2247(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2248line) into position. A left or right mouse click on a data point on the plot
2249will set the associated limit. In either case the appropriate value on the
2250&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2251
2252<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span
2253style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2254style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2255style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2256style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2257
2258<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2259text-indent:-.25in;mso-list:l14 level1 lfo5'><![if !supportLists]><span
2260style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2261style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2262style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2263style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2264limits shown to other selected powder patterns. If used, a dialog box (Copy
2265Parameters) will appear showing the list of available powder patterns, you can
2266copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2267copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2268&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2269
2270<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2271
2272<span style='mso-bookmark:Background'></span>
2273
2274<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2275window shows the choice of background functions and coefficients to be used in
2276fitting this powder pattern. There are three types of contributions available
2277for the background:<o:p></o:p></span></p>
2278
2279<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2280A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2281&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2282interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2283interpolate&#8217;). The latter three select fixed points with spacing that is <span
2284class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2285x-coordinate. The set of magnitudes at each point then comprise the background
2286variables. All are refined when refine is selected.<o:p></o:p></span></p>
2287
2288<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2289"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2290form:<br>
2291</span><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span
2292 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span
2293 style='mso-tab-count:2'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
2294   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2295   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2296   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2297     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2298     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2299     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2300     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2301     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2302     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2303     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
2304   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2305   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2306   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2307   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2308   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2309   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2310   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2311     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2312     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2313     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2314     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2315     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2316     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2317     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
2318style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2319"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2320top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2321EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2322 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2323 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2324</v:shape><![endif]--><![if !vml]><img width=178 height=51
2325src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2326style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
23271'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2328
2329<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2330style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2331variables and can be individually selected as desired; Q = 2</span><span
2332style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2333style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2334
2335<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2336A set of individual Bragg peaks using the pseudo-Voigt profile function as
2337their shapes. Their parameters are &#8216;pos&#8217;, &#8217;<span
2338class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp; &#8216;<span
2339class=SpellE>gam</span>&#8217;; each can be selected for refinement. The
2340default values for sig &amp; <span class=SpellE>gam</span> (=0.10) are for very
2341sharp peaks, you may adjust them accordingly to the kind of peak you are trying
2342to fit before trying to refine them.<o:p></o:p></span></p>
2343
2344<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2345
2346<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2347style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2348style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2349style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2350style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2351
2352<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2353auto;text-indent:-.25in;mso-list:l2 level1 lfo7'><![if !supportLists]><span
2354style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2355style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2356style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2357style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2358background parameters shown to other selected powder patterns. If used, a
2359dialog box (Copy Parameters) will appear showing the list of available powder
2360patterns, you can copy the background parameters to any or all of them; select
2361&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2362do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2363
2364<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2365style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2366style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2367style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2368Background function from the pull down tab.<o:p></o:p></span></p>
2369
2370<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2371style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2372style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2373style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2374refine the background coefficients.<o:p></o:p></span></p>
2375
2376<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2377style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2378style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2379style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2380background coefficients to be used (1-36).<o:p></o:p></span></p>
2381
2382<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2385style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2386background coefficient values. Enter the value then press Enter or click the
2387mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2388
2389<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2390style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2391style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2392style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2393Debye scattering terms into the background. For each one you should enter a
2394sensible value for &#8216;R&#8217; &#8211; an expected <span class=SpellE>interatomic</span>
2395distance in an amorphous phase is appropriate. Select parameters to refine;
2396usually start with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2397
2398<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span
2399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2401style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2402Bragg peaks into the background. For each you should specify at least the
2403position. Select parameters to refine; usually start with the &#8216;<span
2404class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2405
2406<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2407"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2408style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2409
2410<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2411window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2412
2413<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2414
2415<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
2416style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2417style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2418style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2419style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <o:p></o:p></span></p>
2420
2421<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2422auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span
2423style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2424style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2425style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2426profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2427resets the values for the instrument parameters to the default values shown in
2428parentheses for each entry.<o:p></o:p></span></p>
2429
2430<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2431auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span
2432style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2433style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2434style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2435style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2436instrument parameters shown to other selected powder patterns. If used, a
2437dialog box (Copy Parameters) will appear showing the list of available powder
2438patterns, you can copy the instrument parameters to any or all of them; select
2439&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2440do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2441
2442<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2443auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span
2444style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2445style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2446style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2447radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2448&#8211; this changes the radiation between single wavelength (e.g. for
2449synchrotron source) and K</span><sub><span style='font-family:Symbol;
2450mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2451style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2452style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2453style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2454style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2455style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2456laboratory tube source).<o:p></o:p></span></p>
2457
2458<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
2459style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2460style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2461style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2462profile coefficients<o:p></o:p></span></p>
2463
2464<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span
2465style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2466style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2467style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2468profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2469circumstances some choices are ignored e.g. Zero is not refined during peak
2470fitting. Also some choices may lead to unstable refinement, e.g. <span
2471class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2472&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2473style='mso-fareast-font-family:"Times New Roman"'> display for highly
2474correlated parameters.<o:p></o:p></span></p>
2475
2476<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2477"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2478
2479<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2480window... <o:p></o:p></span></p>
2481
2482<h4><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
2483Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a><span
2484style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2485
2486<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2487window shows the list of peaks that will be used by the peak fitting
2488refinement. It is filled by picking peaks in the powder pattern displayed in
2489the GSASII Plots window as a sequence of &#8216;+&#8217; marks. See </span><a
2490href="#Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
2491Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
2492below for details for what can be done on this plot.<o:p></o:p></span></p>
2493
2494<h4><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
2495style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Index
2496Peak List</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2497
2498<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2499window shows the list of peaks that will be used for indexing (see </span><a
2500href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
2501Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
2502It must be filled before indexing can proceed. When indexing is completed, this
2503display will show the resulting <span class=SpellE>hkl</span> values for every
2504indexed reflection along with the calculated d-spacing (&#8216;d-<span
2505class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
2506href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
2507Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
2508
2509<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2510
2511<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo10'><![if !supportLists]><span
2512style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2513style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2514style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2515style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
2516style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
2517positions &amp; intensities from the </span><a href="#Peak_List"><span
2518style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
2519style='mso-fareast-font-family:"Times New Roman"'> to make them available for
2520the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
2521Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
2522href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
2523Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
2524table to the position shown here.<o:p></o:p></span></p>
2525
2526<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo10'><![if !supportLists]><span
2527style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2528style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2529style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
2530peaks from indexing by <span class=SpellE>unchecking</span> the corresponding &#8216;use&#8217;
2531box.<o:p></o:p></span></p>
2532
2533<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
2534style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
2535"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
2536"Times New Roman"'><o:p></o:p></span></h4>
2537
2538<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2539window... <o:p></o:p></span></p>
2540
2541<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
2542List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2543
2544<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2545window... <o:p></o:p></span></p>
2546
2547<h3>Single Crystal Histograms - HKLF</h3>
2548
2549<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
2550Functions - PDF<o:p></o:p></span></h3>
2551
2552<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
2553Controls<o:p></o:p></span></h4>
2554
2555<p class=MsoNormal>This window </p>
2556
2557<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
2558"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
2559<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>
2560
2561<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2562window... <o:p></o:p></span></p>
2563
2564<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
2565IMG<o:p></o:p></span></h3>
2566
2567<h4><a name=Images>Image Controls</a></h4>
2568
2569<span style='mso-bookmark:Images'></span>
2570
2571<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2572window... <o:p></o:p></span></p>
2573
2574<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
2575mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
2576style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
2577name="Image_Masks"></a><![endif]></h4>
2578
2579<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2580window... <o:p></o:p></span></p>
2581
2582<h3>Phase Windows</h3>
2583
2584<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2585a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
2586shown for that selected phase in a tabbed window. Clicking on each tab raises
2587the windows listed below. Each tab is identified by the underlined phrase in
2588the following:<o:p></o:p></span></p>
2589
2590<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
2591Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
2592
2593<span style='mso-bookmark:General'></span>
2594
2595<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2596gives overall parameters describing the phase such as the name, space group,
2597the unit cell parameters and overall parameters for the atom present in the
2598phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
2599
2600<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2601
2602<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span
2603style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2604style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2605style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2606style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
2607shows computations that are possible for this phase.<o:p></o:p></span></p>
2608
2609<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2610auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2611style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2612style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2613style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
2614maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
2615compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
2616
2617<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span
2618style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2619style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2620style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
2621of the General page that can be changed are Phase name, Phase type, Space
2622group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
2623
2624<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2625auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2626style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2627style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2628style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
2629name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
2630this is the name assigned to this phase. It should only be changed when the
2631phase is initialized or imported.<u><o:p></o:p></u></span></p>
2632
2633<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2634auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2635style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2636style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2637style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
2638type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
2639can only be set when there are no atoms in the Atoms page for this phase.
2640Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
2641
2642<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2643auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2644style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2645style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2646style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
2647group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2648&#8211; this should be set when the phase is initialized; it can be changed
2649later. Be careful about the impact on Atom site symmetry and multiplicity if
2650you do. GSAS-II will recognize any legal space group symbol using the short
2651Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
2652fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
2653with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
2654setting where the center of inversion is located at the origin. The choice of
2655space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
2656
2657<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2658auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2659style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2660style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2661style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
2662unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2663&#8211; set this flag to refine the unit cell parameters in a Rietveld or
2664Pawley refinement. The actual parameters refined are the symmetry allowed terms
2665(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
2666normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2667"Times New Roman"'><br>
2668</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
2669    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2670    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2671    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2672    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2673    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2674    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2675    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
2676  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2677  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
2678    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2679    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2680    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2681    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2682    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2683    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2684    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2685    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2686    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2687    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2688    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2689    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2690    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2691    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2692  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2693  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2694    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2695    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2696    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2697    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2698    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2699    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2700    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2701    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2702    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2703    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2704    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2705    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2706    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2707    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2708  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2709  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2710    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2711    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2712    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2713    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2714    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2715    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2716    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
2717    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2718    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2719    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2720    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2721    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2722    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2723    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
2724  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2725  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
2726    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2727    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2728    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2729    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2730    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2731    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2732    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
2733  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2734  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
2735    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2736    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2737    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2738    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2739    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2740    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2741    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
2742  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2743  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
2744    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2745    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2746    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
2747    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2748    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
2749    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2750    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
2751  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2752  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
2753style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2754"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
2755mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
2756 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
2757 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
2758</v:shape><![endif]--><![if !vml]><img width=335 height=19
2759src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
2760style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
2761
2762<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2763auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span
2764style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2765style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2766class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2767"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
2768style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
2769style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
2770only those permitted by the space group are shown. The volume is computed from
2771the values entered.<u><o:p></o:p></u></span></p>
2772
2773<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span
2774style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2775style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2776style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
2777Atoms page then the Elements table is shown next on the General page; you may select
2778the isotope (only relevant for neutron diffraction experiments). The density is
2779computed depending on this choice, the unit cell volume and the atom
2780fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
2781
2782<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span
2783style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2784style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2785style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
2786shown at the bottom of the General page. A completed Rietveld or Pawley
2787refinement is required before a Fourier map can be computed. Select the desired
2788type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
2789
2790<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
2791</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
2792
2793<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2794
2795<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
2796style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2797mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
2798line-break'>
2799<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
2800<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
2801
2802<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2803
2804<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
2805
2806<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2807
2808<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
2809
2810<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2811
2812<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
2813
2814<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2815
2816<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
2817
2818<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
2819rendered as lines, van <span class=SpellE>der</span> Waals radii balls, sticks,
2820balls &amp; sticks, ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>.
2821There are two menus for this tab; Edit allows modification of the list of atoms
2822to be rendered and Compute gives some options for geometric characterization of
2823selected atoms.</p>
2824
2825<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2826
2827<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2828style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2829style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
2830Selection from table: select individual atoms by a left click of the mouse when
2831pointed at the left most column (atom numbers) of the atom display; hold down
2832the Ctrl key to add to your selection; a previously selected atom will be
2833deselected. A selected atom will be highlighted (in grey) and the atom will be
2834shown in green on the plot. Selection without the Ctrl key will clear previous
2835selections. A double left click in the (empty) upper left box will select or
2836deselect all atoms.</p>
2837
2838<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
2841Selection from plot: select an atom by a left click of the mouse while holding
2842down the Shift key and pointed at the center of the displayed atom, it will
2843turn green if successful and the corresponding entry in the table will be
2844highlighted (in grey); any previous selections will be cleared. To add to .your
2845selection use the right mouse button (Shift down); if a previously selection is
2846reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
2847normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
2848to select, they may be selected inadvertently. You can rotate the structure
2849anytime during the selection process.</p>
2850
2851<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2852style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2853style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
2854left click a Name, Type and Sym Op column heading: a dialog box is shown that
2855allows you to select all atoms with that characteristic. For example, selecting
2856the Type column will show all the atom types; your choice will then cause all
2857those atoms to be selected.</p>
2858
2859<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2860style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2861style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
2862left click a Style, Label or Color column: a dialog box is shown that allows
2863you to select a rendering option for all the atoms. For Color a color choice
2864dialog is displayed that covers the entire color spectrum. Choose a color by
2865any of the means available, press the &#8220;Add to Custom Colors&#8221;,
2866select that color in the Custom colors display and then press OK. <b
2867style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
2868have the same color and for Style &#8220;blank&#8221; means the atoms
2869aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
2870
2871<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2872style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2873style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2874&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
2875shows operations that can be performed on your selected atoms. You must select
2876one or more atoms before using any of the menu items.</p>
2877
2878<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2879auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2880style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2881style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2882style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
2883style for the selected atoms</p>
2884
2885<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2886auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2887style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2888style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2889style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
2890be shown as a label for each atom in selection. The choices are: none, type,
2891name or number.</p>
2892
2893<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2894auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2895style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2896style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2897style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
2898the atom; a color choice dialog is displayed that covers the entire color
2899spectrum. Choose a color by any of the means available, press the &#8220;Add to
2900Custom Colors&#8221;, select that color in the Custom colors display and then
2901press OK.</p>
2902
2903<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2904auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2905style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2906style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2907style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
2908atom color back to their defaults for the selected atoms.</p>
2909
2910<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2911auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2912style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2913style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2914style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
2915view point to the first atom in the selection.</p>
2916
2917<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2918auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2919style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2920style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2921style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
2922atoms, new ones are added to the bottom of the list after applying your choice
2923of symmetry operator and unit cell translation selected via a dialog display.
2924Duplicate atom positions are not retained. Any anisotropic thermal displacement
2925parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
2926
2927<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2928auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2929style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2930style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2931style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
2932symmetry operator and unit cell translation to the set of selected atoms; they
2933will be changed in place. Any anisotropic thermal displacement parameters (<span
2934class=SpellE>Uij</span>) will be transformed as appropriate.</p>
2935
2936<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2937auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2938style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
2939style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2940style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
2941currently in the draw atom table, find all atoms that belong in the
2942coordination sphere around the selected atoms via unit cell translations. NB:
2943symmetry operations are not used in this search.</p>
2944
2945<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2946auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2947style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2948style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2949</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
2950cell</b> - using the atoms currently selected from the draw atom table, find
2951all atoms that fall inside or on the edge/surface/corners of the unit cell.
2952This operation is frequently performed before Fill CN-sphere.</p>
2953
2954<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2955auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span
2956style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2957style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2958</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2959atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
2960the Atoms table. You should do this operation after any changes in the Atoms
2961table, e.g. by a structure refinement.</p>
2962
2963<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span
2964style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2965style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2966&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
2967menu gives a choice of geometric calculations to be performed with the selected
2968atoms. You must select the appropriate number of atoms for these to work and
2969the computation is done for the atoms in selection order.</p>
2970
2971<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2972auto;text-indent:-.25in;mso-list:l9 level1 lfo14'><![if !supportLists]><span
2973style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2974style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2975style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b
2976style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight:
2977normal'>. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected, a
2978distance, angle or torsion angle will be found for them. The angles are
2979computed for the atoms in their selection order. The torsion angle is a right
2980hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
2981estimated standard deviation is given for the calculated value if a current
2982variance-covariance matrix is available. The result is shown on the console
2983window; it may be cut &amp; pasted to another application (e.g. Microsoft
2984Word).</p>
2985
2986<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2987text-indent:-.25in;mso-list:l9 level1 lfo14'><![if !supportLists]><span
2988style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2989style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2990style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
2991are selected, a best plane is determined for them. The result is shown on the
2992console window; it may be cut &amp; pasted to another application (e.g.
2993Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
2994plane coordinates where the largest range is over the X-axis and the smallest
2995is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
2996center of the selection. Root mean square displacements along each axis for the
2997best plane are also listed. The Z-axis RMS value indicates the flatness of the
2998proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
2999(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3000atoms with respect to a coordinate system where the X-axis is along the longest
3001axis of the atom grouping and the Z-axis is along the shortest distance. The
3002origin is at the <span class=SpellE>unweighted</span> center of the selected
3003atoms.</p>
3004
3005<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3006
3007<p class=MsoNormal>This gives the list of reflections used in a Pawley
3008refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3009style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3010style='color:#00B0F0'>.</span></p>
3011
3012<h5>What can I do here?</h5>
3013
3014<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span
3015style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3016style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3017<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3018
3019<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3020auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span
3021style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3022style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3023style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3024new set of Pawley reflections, over writing any preexisting Pawley set. They
3025are generated with d-<span class=SpellE>spacings</span> larger than the limit
3026set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab for
3027this phase. By default the refine flags are not set and the <span class=SpellE><span
3028class=GramE>Fsq</span></span><span class=GramE>(</span><span class=SpellE>hkl</span>)
3029= 100.0.</p>
3030
3031<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3032auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span
3033style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3034style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3035style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3036an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3037class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3038reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3039the <a href="#Data">Data</a> tab.</p>
3040
3041<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3042auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span
3043style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3044style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3045style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3046set of Pawley reflections.</p>
3047
3048<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span
3049style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3050style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3051can change the refine flags either by clicking on the box or by selecting one
3052and then selecting the column (a single click on the column heading). Then type
3053&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3054You should deselect those reflections that fall below the lower limit or above
3055the upper limit of the powder pattern otherwise you may have a singular matrix
3056error in your Pawley refinement.</p>
3057
3058<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span
3059style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3060style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3061can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3062class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3063typing in the new value and then pressing enter or selecting somewhere else in
3064the table.</p>
3065
3066<div class=MsoNormal align=center style='text-align:center'><span
3067style='mso-fareast-font-family:"Times New Roman"'>
3068
3069<hr size=2 width="100%" align=center>
3070
3071</span></div>
3072
3073<div class=MsoNormal align=center style='text-align:center'><span
3074style='mso-fareast-font-family:"Times New Roman"'>
3075
3076<hr size=2 width="100%" align=center>
3077
3078</span></div>
3079
3080<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3081GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3082style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3083style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3084
3085<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3086window presents all the graphical material as a multipage tabbed set of plots
3087utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3088has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3089
3090<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3091mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3092src=graphbar.jpg></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3093
3094<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3095are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3096
3097<ul type=disc>
3098 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3099     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3100     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3101 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3102     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3103     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3104 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3105     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3106     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3107     of the Back button <o:p></o:p></span></li>
3108 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3109     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3110     "Times New Roman"'>Pan: allows you to control panning across the plot
3111     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3112 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3113     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3114     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3115     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3116 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3117     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3118     "Times New Roman"'>Save: allows you to save the currently displayed plot
3119     in one of several graphical formats suitable for printing or insertion in
3120     a document.<o:p></o:p></span></li>
3121 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3122     mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family:
3123     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3124</ul>
3125
3126<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3127
3128<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3129the toolbar may be a status bar that on the left may show either an instruction
3130for a keyed input or a pull down selection of keyed input; on the right may be
3131displayed position dependent information that is updated as the mouse is moved
3132over the plot region.<o:p></o:p></span></p>
3133
3134<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3135
3136<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3137specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3138
3139<h4><a name="Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3140Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3141
3142<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3143powder patterns that are part of your project are shown on this page. They can
3144be displayed as a stack of powder patterns, just a single pattern or as a
3145contour image of the peak intensities. What can be done here will depend on
3146which is displayed and on which item in the GSAS-II data tree you have
3147selected.<o:p></o:p></span></p>
3148
3149<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3150
3151<p class=MsoListParagraph style='text-indent:-.25in;mso-list:l18 level1 lfo18'><![if !supportLists]><span
3152style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3153style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3154style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3155the plot. <o:p></o:p></span></p>
3156
3157<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
3158style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3159
3160<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3161variance-covariance matrix as a color coded array is shown on this page. The
3162color bar to the right shows the range of <span class=SpellE>covariances</span>
3163(-1 to 1) and corresponding colors. The parameter names are to the right and
3164the parameter numbers are below the plot.<o:p></o:p></span></p>
3165
3166<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3167
3168<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3169style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3170style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
3171the mouse cursor across the plot. If on a diagonal cell, the parameter name,
3172value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
3173right hand portion of the status bar. If the cursor is off the diagonal, the
3174two parameter names and their covariance are shown in the tool tip and the
3175status bar.</p>
3176
3177<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
3178style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3179style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3180class=GramE>Type &#8216;s&#8217;</span> &#8211; A color scheme selection dialog
3181is shown. Select a color scheme and press <span class=GramE>OK,</span> the new
3182color scheme will be plotted. The default is &#8216;<span class=SpellE>RdYlGn</span>&#8217;.</p>
3183
3184<h4><a name="Structure_Factors"><span style='mso-fareast-font-family:"Times New Roman"'>Structure
3185Factors </span></a></h4>
3186
3187<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3188plot shows... <o:p></o:p></span></p>
3189
3190<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3191
3192<h4><a name="Powder_Lines"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3193Lines </span></a></h4>
3194
3195<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3196plot shows... <o:p></o:p></span></p>
3197
3198<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3199
3200<h4><a name="Peak_Widths"><span style='mso-fareast-font-family:"Times New Roman"'>Peak
3201Widths </span></a></h4>
3202
3203<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3204plot shows... <o:p></o:p></span></p>
3205
3206<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3207
3208<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
3209
3210<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3211plot shows... <o:p></o:p></span></p>
3212
3213<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3214
3215<h4><a name="Sequential_refinement"></a><span style='mso-fareast-font-family:
3216"Times New Roman"'>Sequential refinement </span></h4>
3217
3218<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3219plot shows the variation of the selected parameters with respect to the data
3220sequence number.<o:p></o:p></span></p>
3221
3222<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3223
3224<h4><a name="2D_Powder_Image"><span style='mso-fareast-font-family:"Times New Roman"'>2D
3225Powder Image </span></a></h4>
3226
3227<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3228plot shows... <o:p></o:p></span></p>
3229
3230<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3231
3232<h4><a name="2D_Integration"><span style='mso-fareast-font-family:"Times New Roman"'>2D
3233Integration </span></a></h4>
3234
3235<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3236plot shows... <o:p></o:p></span></p>
3237
3238<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3239
3240<h4><a name="2D_Transformed_Powder_Image"><span style='mso-fareast-font-family:
3241"Times New Roman"'>2D Transformed Powder Image </span></a></h4>
3242
3243<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3244plot shows... <o:p></o:p></span></p>
3245
3246<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3247
3248<h4><a name=Mustrain><span style='mso-fareast-font-family:"Times New Roman"'>Mustrain
3249</span></a></h4>
3250
3251<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3252plot shows... <o:p></o:p></span></p>
3253
3254<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3255
3256<h4><a name=Size><span style='mso-fareast-font-family:"Times New Roman"'>Size </span></a></h4>
3257
3258<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3259plot shows... <o:p></o:p></span></p>
3260
3261<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3262
3263<h4><a name="Preferred_orientation"><span style='mso-fareast-font-family:"Times New Roman"'>Preferred
3264Orientation </span></a></h4>
3265
3266<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3267plot shows... <o:p></o:p></span></p>
3268
3269<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3270
3271<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3272
3273<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3274
3275<div class=MsoNormal align=center style='text-align:center'><span
3276style='mso-fareast-font-family:"Times New Roman"'>
3277
3278<hr size=2 width="100%" align=center>
3279
3280</span></div>
3281
3282<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last
3283modified: Tue Nov 22 13:19:47 CST 2011 <o:p></o:p></span></p>
3284
3285<!-- hhmts end --></div>
3286
3287</body>
3288
3289</html>
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