source: trunk/help/gsasII.html @ 563

Last change on this file since 563 was 563, checked in by vondreele, 10 years ago

add "None" element to table - used for charge flipping
mods to charge flipping
fix PickElement? errors in pdf controls, etc.

File size: 214.2 KB
Line 
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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>78</o:Revision>
28  <o:TotalTime>2793</o:TotalTime>
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381        mso-fareast-theme-font:minor-fareast;}
382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-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-noshow:yes;
459        mso-style-priority:9;
460        mso-style-qformat:yes;
461        mso-style-link:"Heading 5 Char";
462        mso-margin-top-alt:auto;
463        margin-right:0in;
464        mso-margin-bottom-alt:auto;
465        margin-left:0in;
466        mso-pagination:widow-orphan;
467        mso-outline-level:5;
468        font-size:12.0pt;
469        font-family:"Times New Roman","serif";
470        mso-fareast-font-family:"Times New Roman";
471        mso-fareast-theme-font:minor-fareast;
472        color:#4F4FFF;
473        font-weight:bold;}
474a:link, span.MsoHyperlink
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-noshow:yes;
702        mso-style-priority:9;
703        mso-style-unhide:no;
704        mso-style-locked:yes;
705        mso-style-link:"Heading 5";
706        mso-ansi-font-size:12.0pt;
707        mso-bidi-font-size:12.0pt;
708        font-family:"Cambria","serif";
709        mso-ascii-font-family:Cambria;
710        mso-ascii-theme-font:major-latin;
711        mso-fareast-font-family:"Times New Roman";
712        mso-fareast-theme-font:major-fareast;
713        mso-hansi-font-family:Cambria;
714        mso-hansi-theme-font:major-latin;
715        mso-bidi-font-family:"Times New Roman";
716        mso-bidi-theme-font:major-bidi;
717        color:#243F60;
718        mso-themecolor:accent1;
719        mso-themeshade:127;}
720span.HTMLPreformattedChar
721        {mso-style-name:"HTML Preformatted Char";
722        mso-style-noshow:yes;
723        mso-style-priority:99;
724        mso-style-unhide:no;
725        mso-style-locked:yes;
726        mso-style-link:"HTML Preformatted";
727        font-family:"Courier New";
728        mso-ascii-font-family:"Courier New";
729        mso-hansi-font-family:"Courier New";
730        mso-bidi-font-family:"Courier New";}
731span.DocumentMapChar
732        {mso-style-name:"Document Map Char";
733        mso-style-noshow:yes;
734        mso-style-priority:99;
735        mso-style-unhide:no;
736        mso-style-locked:yes;
737        mso-style-link:"Document Map";
738        mso-ansi-font-size:8.0pt;
739        mso-bidi-font-size:8.0pt;
740        font-family:"Tahoma","sans-serif";
741        mso-ascii-font-family:Tahoma;
742        mso-fareast-font-family:"Times New Roman";
743        mso-fareast-theme-font:minor-fareast;
744        mso-hansi-font-family:Tahoma;
745        mso-bidi-font-family:Tahoma;}
746span.BalloonTextChar
747        {mso-style-name:"Balloon Text Char";
748        mso-style-noshow:yes;
749        mso-style-priority:99;
750        mso-style-unhide:no;
751        mso-style-locked:yes;
752        mso-style-link:"Balloon Text";
753        mso-ansi-font-size:8.0pt;
754        mso-bidi-font-size:8.0pt;
755        font-family:"Tahoma","sans-serif";
756        mso-ascii-font-family:Tahoma;
757        mso-fareast-font-family:"Times New Roman";
758        mso-fareast-theme-font:minor-fareast;
759        mso-hansi-font-family:Tahoma;
760        mso-bidi-font-family:Tahoma;}
761span.SpellE
762        {mso-style-name:"";
763        mso-spl-e:yes;}
764span.GramE
765        {mso-style-name:"";
766        mso-gram-e:yes;}
767.MsoChpDefault
768        {mso-style-type:export-only;
769        mso-default-props:yes;
770        font-size:10.0pt;
771        mso-ansi-font-size:10.0pt;
772        mso-bidi-font-size:10.0pt;}
773@page WordSection1
774        {size:8.5in 11.0in;
775        margin:1.0in 1.0in 1.0in 1.0in;
776        mso-header-margin:.5in;
777        mso-footer-margin:.5in;
778        mso-paper-source:0;}
779div.WordSection1
780        {page:WordSection1;}
781 /* List Definitions */
782 @list l0
783        {mso-list-id:142163818;
784        mso-list-type:hybrid;
785        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
786@list l0:level1
787        {mso-level-tab-stop:none;
788        mso-level-number-position:left;
789        text-indent:-.25in;}
790@list l0:level2
791        {mso-level-number-format:alpha-lower;
792        mso-level-tab-stop:none;
793        mso-level-number-position:left;
794        text-indent:-.25in;}
795@list l0:level3
796        {mso-level-number-format:roman-lower;
797        mso-level-tab-stop:none;
798        mso-level-number-position:right;
799        text-indent:-9.0pt;}
800@list l0:level4
801        {mso-level-tab-stop:2.0in;
802        mso-level-number-position:left;
803        text-indent:-.25in;}
804@list l0:level5
805        {mso-level-tab-stop:2.5in;
806        mso-level-number-position:left;
807        text-indent:-.25in;}
808@list l0:level6
809        {mso-level-tab-stop:3.0in;
810        mso-level-number-position:left;
811        text-indent:-.25in;}
812@list l0:level7
813        {mso-level-tab-stop:3.5in;
814        mso-level-number-position:left;
815        text-indent:-.25in;}
816@list l0:level8
817        {mso-level-tab-stop:4.0in;
818        mso-level-number-position:left;
819        text-indent:-.25in;}
820@list l0:level9
821        {mso-level-tab-stop:4.5in;
822        mso-level-number-position:left;
823        text-indent:-.25in;}
824@list l1
825        {mso-list-id:203979460;
826        mso-list-template-ids:88359672;}
827@list l1:level1
828        {mso-level-number-format:bullet;
829        mso-level-text:\F0B7;
830        mso-level-tab-stop:.5in;
831        mso-level-number-position:left;
832        text-indent:-.25in;
833        mso-ansi-font-size:10.0pt;
834        font-family:Symbol;}
835@list l1:level2
836        {mso-level-tab-stop:1.0in;
837        mso-level-number-position:left;
838        text-indent:-.25in;}
839@list l1:level3
840        {mso-level-tab-stop:1.5in;
841        mso-level-number-position:left;
842        text-indent:-.25in;}
843@list l1:level4
844        {mso-level-tab-stop:2.0in;
845        mso-level-number-position:left;
846        text-indent:-.25in;}
847@list l1:level5
848        {mso-level-tab-stop:2.5in;
849        mso-level-number-position:left;
850        text-indent:-.25in;}
851@list l1:level6
852        {mso-level-tab-stop:3.0in;
853        mso-level-number-position:left;
854        text-indent:-.25in;}
855@list l1:level7
856        {mso-level-tab-stop:3.5in;
857        mso-level-number-position:left;
858        text-indent:-.25in;}
859@list l1:level8
860        {mso-level-tab-stop:4.0in;
861        mso-level-number-position:left;
862        text-indent:-.25in;}
863@list l1:level9
864        {mso-level-tab-stop:4.5in;
865        mso-level-number-position:left;
866        text-indent:-.25in;}
867@list l2
868        {mso-list-id:268514595;
869        mso-list-type:hybrid;
870        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
871@list l2:level1
872        {mso-level-number-format:alpha-lower;
873        mso-level-tab-stop:none;
874        mso-level-number-position:left;
875        margin-left:1.0in;
876        text-indent:-.25in;
877        mso-ansi-font-weight:normal;}
878@list l2:level2
879        {mso-level-tab-stop:1.0in;
880        mso-level-number-position:left;
881        text-indent:-.25in;}
882@list l2:level3
883        {mso-level-tab-stop:112.5pt;
884        mso-level-number-position:left;
885        margin-left:112.5pt;
886        text-indent:-.25in;}
887@list l2:level4
888        {mso-level-tab-stop:2.0in;
889        mso-level-number-position:left;
890        text-indent:-.25in;}
891@list l2:level5
892        {mso-level-tab-stop:2.5in;
893        mso-level-number-position:left;
894        text-indent:-.25in;}
895@list l2:level6
896        {mso-level-tab-stop:3.0in;
897        mso-level-number-position:left;
898        text-indent:-.25in;}
899@list l2:level7
900        {mso-level-tab-stop:3.5in;
901        mso-level-number-position:left;
902        text-indent:-.25in;}
903@list l2:level8
904        {mso-level-tab-stop:4.0in;
905        mso-level-number-position:left;
906        text-indent:-.25in;}
907@list l2:level9
908        {mso-level-tab-stop:4.5in;
909        mso-level-number-position:left;
910        text-indent:-.25in;}
911@list l3
912        {mso-list-id:301277244;
913        mso-list-template-ids:-445226636;}
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-number-format:alpha-lower;
920        mso-level-tab-stop:1.0in;
921        mso-level-number-position:left;
922        text-indent:-.25in;}
923@list l3:level3
924        {mso-level-tab-stop:1.5in;
925        mso-level-number-position:left;
926        text-indent:-.25in;}
927@list l3:level4
928        {mso-level-number-format:alpha-lower;
929        mso-level-tab-stop:2.0in;
930        mso-level-number-position:left;
931        text-indent:-.25in;}
932@list l3:level5
933        {mso-level-tab-stop:2.5in;
934        mso-level-number-position:left;
935        text-indent:-.25in;}
936@list l3:level6
937        {mso-level-tab-stop:3.0in;
938        mso-level-number-position:left;
939        text-indent:-.25in;}
940@list l3:level7
941        {mso-level-tab-stop:3.5in;
942        mso-level-number-position:left;
943        text-indent:-.25in;}
944@list l3:level8
945        {mso-level-tab-stop:4.0in;
946        mso-level-number-position:left;
947        text-indent:-.25in;}
948@list l3:level9
949        {mso-level-tab-stop:4.5in;
950        mso-level-number-position:left;
951        text-indent:-.25in;}
952@list l4
953        {mso-list-id:424421782;
954        mso-list-template-ids:-445226636;}
955@list l4:level1
956        {mso-level-tab-stop:none;
957        mso-level-number-position:left;
958        text-indent:-.25in;}
959@list l4:level2
960        {mso-level-number-format:alpha-lower;
961        mso-level-tab-stop:1.0in;
962        mso-level-number-position:left;
963        text-indent:-.25in;}
964@list l4:level3
965        {mso-level-tab-stop:1.5in;
966        mso-level-number-position:left;
967        text-indent:-.25in;}
968@list l4:level4
969        {mso-level-number-format:alpha-lower;
970        mso-level-tab-stop:2.0in;
971        mso-level-number-position:left;
972        text-indent:-.25in;}
973@list l4:level5
974        {mso-level-tab-stop:2.5in;
975        mso-level-number-position:left;
976        text-indent:-.25in;}
977@list l4:level6
978        {mso-level-tab-stop:3.0in;
979        mso-level-number-position:left;
980        text-indent:-.25in;}
981@list l4:level7
982        {mso-level-tab-stop:3.5in;
983        mso-level-number-position:left;
984        text-indent:-.25in;}
985@list l4:level8
986        {mso-level-tab-stop:4.0in;
987        mso-level-number-position:left;
988        text-indent:-.25in;}
989@list l4:level9
990        {mso-level-tab-stop:4.5in;
991        mso-level-number-position:left;
992        text-indent:-.25in;}
993@list l5
994        {mso-list-id:617220658;
995        mso-list-type:hybrid;
996        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
997@list l5:level1
998        {mso-level-tab-stop:none;
999        mso-level-number-position:left;
1000        text-indent:-.25in;}
1001@list l5:level2
1002        {mso-level-tab-stop:1.0in;
1003        mso-level-number-position:left;
1004        text-indent:-.25in;}
1005@list l5:level3
1006        {mso-level-tab-stop:1.5in;
1007        mso-level-number-position:left;
1008        text-indent:-.25in;}
1009@list l5:level4
1010        {mso-level-tab-stop:2.0in;
1011        mso-level-number-position:left;
1012        text-indent:-.25in;}
1013@list l5:level5
1014        {mso-level-tab-stop:2.5in;
1015        mso-level-number-position:left;
1016        text-indent:-.25in;}
1017@list l5:level6
1018        {mso-level-tab-stop:3.0in;
1019        mso-level-number-position:left;
1020        text-indent:-.25in;}
1021@list l5:level7
1022        {mso-level-tab-stop:3.5in;
1023        mso-level-number-position:left;
1024        text-indent:-.25in;}
1025@list l5:level8
1026        {mso-level-tab-stop:4.0in;
1027        mso-level-number-position:left;
1028        text-indent:-.25in;}
1029@list l5:level9
1030        {mso-level-tab-stop:4.5in;
1031        mso-level-number-position:left;
1032        text-indent:-.25in;}
1033@list l6
1034        {mso-list-id:649361966;
1035        mso-list-template-ids:326264828;}
1036@list l6:level1
1037        {mso-level-tab-stop:none;
1038        mso-level-number-position:left;
1039        text-indent:-.25in;}
1040@list l6:level2
1041        {mso-level-number-format:alpha-lower;
1042        mso-level-tab-stop:1.0in;
1043        mso-level-number-position:left;
1044        text-indent:-.25in;
1045        mso-ansi-font-size:12.0pt;
1046        font-family:"Times New Roman","serif";
1047        mso-ansi-font-weight:normal;
1048        mso-ansi-font-style:normal;}
1049@list l6:level3
1050        {mso-level-tab-stop:1.5in;
1051        mso-level-number-position:left;
1052        text-indent:-.25in;}
1053@list l6:level4
1054        {mso-level-number-format:alpha-lower;
1055        mso-level-tab-stop:2.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l6:level5
1059        {mso-level-tab-stop:2.5in;
1060        mso-level-number-position:left;
1061        text-indent:-.25in;}
1062@list l6:level6
1063        {mso-level-tab-stop:3.0in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l6:level7
1067        {mso-level-tab-stop:3.5in;
1068        mso-level-number-position:left;
1069        text-indent:-.25in;}
1070@list l6:level8
1071        {mso-level-tab-stop:4.0in;
1072        mso-level-number-position:left;
1073        text-indent:-.25in;}
1074@list l6:level9
1075        {mso-level-tab-stop:4.5in;
1076        mso-level-number-position:left;
1077        text-indent:-.25in;}
1078@list l7
1079        {mso-list-id:656106218;
1080        mso-list-type:hybrid;
1081        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1082@list l7:level1
1083        {mso-level-tab-stop:none;
1084        mso-level-number-position:left;
1085        text-indent:-.25in;}
1086@list l7:level2
1087        {mso-level-tab-stop:1.0in;
1088        mso-level-number-position:left;
1089        text-indent:-.25in;}
1090@list l7:level3
1091        {mso-level-tab-stop:1.5in;
1092        mso-level-number-position:left;
1093        text-indent:-.25in;}
1094@list l7:level4
1095        {mso-level-tab-stop:2.0in;
1096        mso-level-number-position:left;
1097        text-indent:-.25in;}
1098@list l7:level5
1099        {mso-level-tab-stop:2.5in;
1100        mso-level-number-position:left;
1101        text-indent:-.25in;}
1102@list l7:level6
1103        {mso-level-tab-stop:3.0in;
1104        mso-level-number-position:left;
1105        text-indent:-.25in;}
1106@list l7:level7
1107        {mso-level-tab-stop:3.5in;
1108        mso-level-number-position:left;
1109        text-indent:-.25in;}
1110@list l7:level8
1111        {mso-level-tab-stop:4.0in;
1112        mso-level-number-position:left;
1113        text-indent:-.25in;}
1114@list l7:level9
1115        {mso-level-tab-stop:4.5in;
1116        mso-level-number-position:left;
1117        text-indent:-.25in;}
1118@list l8
1119        {mso-list-id:734669460;
1120        mso-list-type:hybrid;
1121        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1122@list l8:level1
1123        {mso-level-tab-stop:none;
1124        mso-level-number-position:left;
1125        text-indent:-.25in;}
1126@list l8:level2
1127        {mso-level-tab-stop:1.0in;
1128        mso-level-number-position:left;
1129        text-indent:-.25in;}
1130@list l8:level3
1131        {mso-level-tab-stop:1.5in;
1132        mso-level-number-position:left;
1133        text-indent:-.25in;}
1134@list l8:level4
1135        {mso-level-tab-stop:2.0in;
1136        mso-level-number-position:left;
1137        text-indent:-.25in;}
1138@list l8:level5
1139        {mso-level-tab-stop:2.5in;
1140        mso-level-number-position:left;
1141        text-indent:-.25in;}
1142@list l8:level6
1143        {mso-level-tab-stop:3.0in;
1144        mso-level-number-position:left;
1145        text-indent:-.25in;}
1146@list l8:level7
1147        {mso-level-tab-stop:3.5in;
1148        mso-level-number-position:left;
1149        text-indent:-.25in;}
1150@list l8:level8
1151        {mso-level-tab-stop:4.0in;
1152        mso-level-number-position:left;
1153        text-indent:-.25in;}
1154@list l8:level9
1155        {mso-level-tab-stop:4.5in;
1156        mso-level-number-position:left;
1157        text-indent:-.25in;}
1158@list l9
1159        {mso-list-id:742676264;
1160        mso-list-template-ids:326264828;}
1161@list l9:level1
1162        {mso-level-tab-stop:none;
1163        mso-level-number-position:left;
1164        text-indent:-.25in;}
1165@list l9:level2
1166        {mso-level-number-format:alpha-lower;
1167        mso-level-tab-stop:1.0in;
1168        mso-level-number-position:left;
1169        text-indent:-.25in;
1170        mso-ansi-font-size:12.0pt;
1171        font-family:"Times New Roman","serif";
1172        mso-ansi-font-weight:normal;
1173        mso-ansi-font-style:normal;}
1174@list l9:level3
1175        {mso-level-tab-stop:1.5in;
1176        mso-level-number-position:left;
1177        text-indent:-.25in;}
1178@list l9:level4
1179        {mso-level-number-format:alpha-lower;
1180        mso-level-tab-stop:2.0in;
1181        mso-level-number-position:left;
1182        text-indent:-.25in;}
1183@list l9:level5
1184        {mso-level-tab-stop:2.5in;
1185        mso-level-number-position:left;
1186        text-indent:-.25in;}
1187@list l9:level6
1188        {mso-level-tab-stop:3.0in;
1189        mso-level-number-position:left;
1190        text-indent:-.25in;}
1191@list l9:level7
1192        {mso-level-tab-stop:3.5in;
1193        mso-level-number-position:left;
1194        text-indent:-.25in;}
1195@list l9:level8
1196        {mso-level-tab-stop:4.0in;
1197        mso-level-number-position:left;
1198        text-indent:-.25in;}
1199@list l9:level9
1200        {mso-level-tab-stop:4.5in;
1201        mso-level-number-position:left;
1202        text-indent:-.25in;}
1203@list l10
1204        {mso-list-id:919948450;
1205        mso-list-type:hybrid;
1206        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1207@list l10:level1
1208        {mso-level-tab-stop:none;
1209        mso-level-number-position:left;
1210        text-indent:-.25in;}
1211@list l10:level2
1212        {mso-level-tab-stop:1.0in;
1213        mso-level-number-position:left;
1214        text-indent:-.25in;}
1215@list l10:level3
1216        {mso-level-tab-stop:1.5in;
1217        mso-level-number-position:left;
1218        text-indent:-.25in;}
1219@list l10:level4
1220        {mso-level-tab-stop:2.0in;
1221        mso-level-number-position:left;
1222        text-indent:-.25in;}
1223@list l10:level5
1224        {mso-level-tab-stop:2.5in;
1225        mso-level-number-position:left;
1226        text-indent:-.25in;}
1227@list l10:level6
1228        {mso-level-tab-stop:3.0in;
1229        mso-level-number-position:left;
1230        text-indent:-.25in;}
1231@list l10:level7
1232        {mso-level-tab-stop:3.5in;
1233        mso-level-number-position:left;
1234        text-indent:-.25in;}
1235@list l10:level8
1236        {mso-level-tab-stop:4.0in;
1237        mso-level-number-position:left;
1238        text-indent:-.25in;}
1239@list l10:level9
1240        {mso-level-tab-stop:4.5in;
1241        mso-level-number-position:left;
1242        text-indent:-.25in;}
1243@list l11
1244        {mso-list-id:1035230400;
1245        mso-list-type:hybrid;
1246        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1247@list l11:level1
1248        {mso-level-tab-stop:none;
1249        mso-level-number-position:left;
1250        text-indent:-.25in;}
1251@list l11:level2
1252        {mso-level-number-format:alpha-lower;
1253        mso-level-tab-stop:none;
1254        mso-level-number-position:left;
1255        text-indent:-.25in;}
1256@list l11:level3
1257        {mso-level-tab-stop:1.5in;
1258        mso-level-number-position:left;
1259        text-indent:-.25in;}
1260@list l11:level4
1261        {mso-level-tab-stop:2.0in;
1262        mso-level-number-position:left;
1263        text-indent:-.25in;}
1264@list l11:level5
1265        {mso-level-tab-stop:2.5in;
1266        mso-level-number-position:left;
1267        text-indent:-.25in;}
1268@list l11:level6
1269        {mso-level-tab-stop:3.0in;
1270        mso-level-number-position:left;
1271        text-indent:-.25in;}
1272@list l11:level7
1273        {mso-level-tab-stop:3.5in;
1274        mso-level-number-position:left;
1275        text-indent:-.25in;}
1276@list l11:level8
1277        {mso-level-tab-stop:4.0in;
1278        mso-level-number-position:left;
1279        text-indent:-.25in;}
1280@list l11:level9
1281        {mso-level-tab-stop:4.5in;
1282        mso-level-number-position:left;
1283        text-indent:-.25in;}
1284@list l12
1285        {mso-list-id:1074664733;
1286        mso-list-type:hybrid;
1287        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1288@list l12:level1
1289        {mso-level-number-format:alpha-lower;
1290        mso-level-tab-stop:none;
1291        mso-level-number-position:left;
1292        margin-left:1.0in;
1293        text-indent:-.25in;
1294        mso-ansi-font-weight:normal;}
1295@list l12:level2
1296        {mso-level-number-format:alpha-lower;
1297        mso-level-tab-stop:none;
1298        mso-level-number-position:left;
1299        text-indent:-.25in;}
1300@list l12:level3
1301        {mso-level-tab-stop:1.5in;
1302        mso-level-number-position:left;
1303        text-indent:-.25in;}
1304@list l12:level4
1305        {mso-level-tab-stop:2.0in;
1306        mso-level-number-position:left;
1307        text-indent:-.25in;}
1308@list l12:level5
1309        {mso-level-tab-stop:2.5in;
1310        mso-level-number-position:left;
1311        text-indent:-.25in;}
1312@list l12:level6
1313        {mso-level-tab-stop:3.0in;
1314        mso-level-number-position:left;
1315        text-indent:-.25in;}
1316@list l12:level7
1317        {mso-level-tab-stop:3.5in;
1318        mso-level-number-position:left;
1319        text-indent:-.25in;}
1320@list l12:level8
1321        {mso-level-tab-stop:4.0in;
1322        mso-level-number-position:left;
1323        text-indent:-.25in;}
1324@list l12:level9
1325        {mso-level-tab-stop:4.5in;
1326        mso-level-number-position:left;
1327        text-indent:-.25in;}
1328@list l13
1329        {mso-list-id:1162892763;
1330        mso-list-type:hybrid;
1331        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1332@list l13:level1
1333        {mso-level-number-format:alpha-lower;
1334        mso-level-tab-stop:none;
1335        mso-level-number-position:left;
1336        margin-left:1.0in;
1337        text-indent:-.25in;}
1338@list l13:level2
1339        {mso-level-tab-stop:1.0in;
1340        mso-level-number-position:left;
1341        text-indent:-.25in;}
1342@list l13:level3
1343        {mso-level-tab-stop:1.5in;
1344        mso-level-number-position:left;
1345        text-indent:-.25in;}
1346@list l13:level4
1347        {mso-level-tab-stop:2.0in;
1348        mso-level-number-position:left;
1349        text-indent:-.25in;}
1350@list l13:level5
1351        {mso-level-tab-stop:2.5in;
1352        mso-level-number-position:left;
1353        text-indent:-.25in;}
1354@list l13:level6
1355        {mso-level-tab-stop:3.0in;
1356        mso-level-number-position:left;
1357        text-indent:-.25in;}
1358@list l13:level7
1359        {mso-level-tab-stop:3.5in;
1360        mso-level-number-position:left;
1361        text-indent:-.25in;}
1362@list l13:level8
1363        {mso-level-tab-stop:4.0in;
1364        mso-level-number-position:left;
1365        text-indent:-.25in;}
1366@list l13:level9
1367        {mso-level-tab-stop:4.5in;
1368        mso-level-number-position:left;
1369        text-indent:-.25in;}
1370@list l14
1371        {mso-list-id:1323200535;
1372        mso-list-type:hybrid;
1373        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1374@list l14:level1
1375        {mso-level-number-format:alpha-lower;
1376        mso-level-tab-stop:none;
1377        mso-level-number-position:left;
1378        margin-left:1.0in;
1379        text-indent:-.25in;}
1380@list l14:level2
1381        {mso-level-tab-stop:1.0in;
1382        mso-level-number-position:left;
1383        text-indent:-.25in;}
1384@list l14:level3
1385        {mso-level-tab-stop:1.5in;
1386        mso-level-number-position:left;
1387        text-indent:-.25in;}
1388@list l14:level4
1389        {mso-level-tab-stop:2.0in;
1390        mso-level-number-position:left;
1391        text-indent:-.25in;}
1392@list l14:level5
1393        {mso-level-tab-stop:2.5in;
1394        mso-level-number-position:left;
1395        text-indent:-.25in;}
1396@list l14:level6
1397        {mso-level-tab-stop:3.0in;
1398        mso-level-number-position:left;
1399        text-indent:-.25in;}
1400@list l14:level7
1401        {mso-level-tab-stop:3.5in;
1402        mso-level-number-position:left;
1403        text-indent:-.25in;}
1404@list l14:level8
1405        {mso-level-tab-stop:4.0in;
1406        mso-level-number-position:left;
1407        text-indent:-.25in;}
1408@list l14:level9
1409        {mso-level-tab-stop:4.5in;
1410        mso-level-number-position:left;
1411        text-indent:-.25in;}
1412@list l15
1413        {mso-list-id:1326516832;
1414        mso-list-type:hybrid;
1415        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1416@list l15:level1
1417        {mso-level-tab-stop:none;
1418        mso-level-number-position:left;
1419        text-indent:-.25in;}
1420@list l15:level2
1421        {mso-level-tab-stop:1.0in;
1422        mso-level-number-position:left;
1423        text-indent:-.25in;}
1424@list l15:level3
1425        {mso-level-tab-stop:1.5in;
1426        mso-level-number-position:left;
1427        text-indent:-.25in;}
1428@list l15:level4
1429        {mso-level-tab-stop:2.0in;
1430        mso-level-number-position:left;
1431        text-indent:-.25in;}
1432@list l15:level5
1433        {mso-level-tab-stop:2.5in;
1434        mso-level-number-position:left;
1435        text-indent:-.25in;}
1436@list l15:level6
1437        {mso-level-tab-stop:3.0in;
1438        mso-level-number-position:left;
1439        text-indent:-.25in;}
1440@list l15:level7
1441        {mso-level-tab-stop:3.5in;
1442        mso-level-number-position:left;
1443        text-indent:-.25in;}
1444@list l15:level8
1445        {mso-level-tab-stop:4.0in;
1446        mso-level-number-position:left;
1447        text-indent:-.25in;}
1448@list l15:level9
1449        {mso-level-tab-stop:4.5in;
1450        mso-level-number-position:left;
1451        text-indent:-.25in;}
1452@list l16
1453        {mso-list-id:1394309879;
1454        mso-list-template-ids:326264828;}
1455@list l16:level1
1456        {mso-level-tab-stop:none;
1457        mso-level-number-position:left;
1458        text-indent:-.25in;}
1459@list l16:level2
1460        {mso-level-number-format:alpha-lower;
1461        mso-level-tab-stop:1.0in;
1462        mso-level-number-position:left;
1463        text-indent:-.25in;
1464        mso-ansi-font-size:12.0pt;
1465        font-family:"Times New Roman","serif";
1466        mso-ansi-font-weight:normal;
1467        mso-ansi-font-style:normal;}
1468@list l16:level3
1469        {mso-level-tab-stop:1.5in;
1470        mso-level-number-position:left;
1471        text-indent:-.25in;}
1472@list l16:level4
1473        {mso-level-number-format:alpha-lower;
1474        mso-level-tab-stop:2.0in;
1475        mso-level-number-position:left;
1476        text-indent:-.25in;}
1477@list l16:level5
1478        {mso-level-tab-stop:2.5in;
1479        mso-level-number-position:left;
1480        text-indent:-.25in;}
1481@list l16:level6
1482        {mso-level-tab-stop:3.0in;
1483        mso-level-number-position:left;
1484        text-indent:-.25in;}
1485@list l16:level7
1486        {mso-level-tab-stop:3.5in;
1487        mso-level-number-position:left;
1488        text-indent:-.25in;}
1489@list l16:level8
1490        {mso-level-tab-stop:4.0in;
1491        mso-level-number-position:left;
1492        text-indent:-.25in;}
1493@list l16:level9
1494        {mso-level-tab-stop:4.5in;
1495        mso-level-number-position:left;
1496        text-indent:-.25in;}
1497@list l17
1498        {mso-list-id:1602683002;
1499        mso-list-type:hybrid;
1500        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1501@list l17:level1
1502        {mso-level-tab-stop:none;
1503        mso-level-number-position:left;
1504        text-indent:-.25in;}
1505@list l17:level2
1506        {mso-level-number-format:alpha-lower;
1507        mso-level-tab-stop:none;
1508        mso-level-number-position:left;
1509        text-indent:-.25in;}
1510@list l17:level3
1511        {mso-level-tab-stop:1.5in;
1512        mso-level-number-position:left;
1513        text-indent:-.25in;}
1514@list l17:level4
1515        {mso-level-tab-stop:2.0in;
1516        mso-level-number-position:left;
1517        text-indent:-.25in;}
1518@list l17:level5
1519        {mso-level-tab-stop:2.5in;
1520        mso-level-number-position:left;
1521        text-indent:-.25in;}
1522@list l17:level6
1523        {mso-level-tab-stop:3.0in;
1524        mso-level-number-position:left;
1525        text-indent:-.25in;}
1526@list l17:level7
1527        {mso-level-tab-stop:3.5in;
1528        mso-level-number-position:left;
1529        text-indent:-.25in;}
1530@list l17:level8
1531        {mso-level-tab-stop:4.0in;
1532        mso-level-number-position:left;
1533        text-indent:-.25in;}
1534@list l17:level9
1535        {mso-level-tab-stop:4.5in;
1536        mso-level-number-position:left;
1537        text-indent:-.25in;}
1538@list l18
1539        {mso-list-id:1669404025;
1540        mso-list-type:hybrid;
1541        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1542@list l18:level1
1543        {mso-level-number-format:alpha-lower;
1544        mso-level-tab-stop:none;
1545        mso-level-number-position:left;
1546        margin-left:1.0in;
1547        text-indent:-.25in;
1548        mso-ansi-font-weight:normal;}
1549@list l18:level2
1550        {mso-level-tab-stop:1.0in;
1551        mso-level-number-position:left;
1552        text-indent:-.25in;}
1553@list l18:level3
1554        {mso-level-tab-stop:112.5pt;
1555        mso-level-number-position:left;
1556        margin-left:112.5pt;
1557        text-indent:-.25in;}
1558@list l18:level4
1559        {mso-level-tab-stop:2.0in;
1560        mso-level-number-position:left;
1561        text-indent:-.25in;}
1562@list l18:level5
1563        {mso-level-tab-stop:2.5in;
1564        mso-level-number-position:left;
1565        text-indent:-.25in;}
1566@list l18:level6
1567        {mso-level-tab-stop:3.0in;
1568        mso-level-number-position:left;
1569        text-indent:-.25in;}
1570@list l18:level7
1571        {mso-level-tab-stop:3.5in;
1572        mso-level-number-position:left;
1573        text-indent:-.25in;}
1574@list l18:level8
1575        {mso-level-tab-stop:4.0in;
1576        mso-level-number-position:left;
1577        text-indent:-.25in;}
1578@list l18:level9
1579        {mso-level-tab-stop:4.5in;
1580        mso-level-number-position:left;
1581        text-indent:-.25in;}
1582@list l19
1583        {mso-list-id:1753089587;
1584        mso-list-template-ids:1555050902;}
1585@list l19:level1
1586        {mso-level-tab-stop:none;
1587        mso-level-number-position:left;
1588        text-indent:-.25in;}
1589@list l19:level2
1590        {mso-level-tab-stop:1.0in;
1591        mso-level-number-position:left;
1592        text-indent:-.25in;}
1593@list l19:level3
1594        {mso-level-tab-stop:1.5in;
1595        mso-level-number-position:left;
1596        text-indent:-.25in;}
1597@list l19:level4
1598        {mso-level-tab-stop:2.0in;
1599        mso-level-number-position:left;
1600        text-indent:-.25in;}
1601@list l19:level5
1602        {mso-level-tab-stop:2.5in;
1603        mso-level-number-position:left;
1604        text-indent:-.25in;}
1605@list l19:level6
1606        {mso-level-tab-stop:3.0in;
1607        mso-level-number-position:left;
1608        text-indent:-.25in;}
1609@list l19:level7
1610        {mso-level-tab-stop:3.5in;
1611        mso-level-number-position:left;
1612        text-indent:-.25in;}
1613@list l19:level8
1614        {mso-level-tab-stop:4.0in;
1615        mso-level-number-position:left;
1616        text-indent:-.25in;}
1617@list l19:level9
1618        {mso-level-tab-stop:4.5in;
1619        mso-level-number-position:left;
1620        text-indent:-.25in;}
1621@list l20
1622        {mso-list-id:2029942403;
1623        mso-list-template-ids:1555050902;}
1624@list l20:level1
1625        {mso-level-tab-stop:none;
1626        mso-level-number-position:left;
1627        text-indent:-.25in;}
1628@list l20:level2
1629        {mso-level-tab-stop:1.0in;
1630        mso-level-number-position:left;
1631        text-indent:-.25in;}
1632@list l20:level3
1633        {mso-level-tab-stop:1.5in;
1634        mso-level-number-position:left;
1635        text-indent:-.25in;}
1636@list l20:level4
1637        {mso-level-tab-stop:2.0in;
1638        mso-level-number-position:left;
1639        text-indent:-.25in;}
1640@list l20:level5
1641        {mso-level-tab-stop:2.5in;
1642        mso-level-number-position:left;
1643        text-indent:-.25in;}
1644@list l20:level6
1645        {mso-level-tab-stop:3.0in;
1646        mso-level-number-position:left;
1647        text-indent:-.25in;}
1648@list l20:level7
1649        {mso-level-tab-stop:3.5in;
1650        mso-level-number-position:left;
1651        text-indent:-.25in;}
1652@list l20:level8
1653        {mso-level-tab-stop:4.0in;
1654        mso-level-number-position:left;
1655        text-indent:-.25in;}
1656@list l20:level9
1657        {mso-level-tab-stop:4.5in;
1658        mso-level-number-position:left;
1659        text-indent:-.25in;}
1660@list l21
1661        {mso-list-id:2095858496;
1662        mso-list-type:hybrid;
1663        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1664@list l21:level1
1665        {mso-level-tab-stop:none;
1666        mso-level-number-position:left;
1667        text-indent:-.25in;}
1668@list l21:level2
1669        {mso-level-tab-stop:1.0in;
1670        mso-level-number-position:left;
1671        text-indent:-.25in;}
1672@list l21:level3
1673        {mso-level-tab-stop:1.5in;
1674        mso-level-number-position:left;
1675        text-indent:-.25in;}
1676@list l21:level4
1677        {mso-level-tab-stop:2.0in;
1678        mso-level-number-position:left;
1679        text-indent:-.25in;}
1680@list l21:level5
1681        {mso-level-tab-stop:2.5in;
1682        mso-level-number-position:left;
1683        text-indent:-.25in;}
1684@list l21:level6
1685        {mso-level-tab-stop:3.0in;
1686        mso-level-number-position:left;
1687        text-indent:-.25in;}
1688@list l21:level7
1689        {mso-level-tab-stop:3.5in;
1690        mso-level-number-position:left;
1691        text-indent:-.25in;}
1692@list l21:level8
1693        {mso-level-tab-stop:4.0in;
1694        mso-level-number-position:left;
1695        text-indent:-.25in;}
1696@list l21:level9
1697        {mso-level-tab-stop:4.5in;
1698        mso-level-number-position:left;
1699        text-indent:-.25in;}
1700@list l22
1701        {mso-list-id:2114591880;
1702        mso-list-template-ids:-445226636;}
1703@list l22:level1
1704        {mso-level-tab-stop:none;
1705        mso-level-number-position:left;
1706        text-indent:-.25in;}
1707@list l22:level2
1708        {mso-level-number-format:alpha-lower;
1709        mso-level-tab-stop:1.0in;
1710        mso-level-number-position:left;
1711        text-indent:-.25in;}
1712@list l22:level3
1713        {mso-level-tab-stop:1.5in;
1714        mso-level-number-position:left;
1715        text-indent:-.25in;}
1716@list l22:level4
1717        {mso-level-number-format:alpha-lower;
1718        mso-level-tab-stop:2.0in;
1719        mso-level-number-position:left;
1720        text-indent:-.25in;}
1721@list l22:level5
1722        {mso-level-tab-stop:2.5in;
1723        mso-level-number-position:left;
1724        text-indent:-.25in;}
1725@list l22:level6
1726        {mso-level-tab-stop:3.0in;
1727        mso-level-number-position:left;
1728        text-indent:-.25in;}
1729@list l22:level7
1730        {mso-level-tab-stop:3.5in;
1731        mso-level-number-position:left;
1732        text-indent:-.25in;}
1733@list l22:level8
1734        {mso-level-tab-stop:4.0in;
1735        mso-level-number-position:left;
1736        text-indent:-.25in;}
1737@list l22:level9
1738        {mso-level-tab-stop:4.5in;
1739        mso-level-number-position:left;
1740        text-indent:-.25in;}
1741ol
1742        {margin-bottom:0in;}
1743ul
1744        {margin-bottom:0in;}
1745-->
1746</style>
1747<!--[if gte mso 10]>
1748<style>
1749 /* Style Definitions */
1750 table.MsoNormalTable
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1752        mso-tstyle-rowband-size:0;
1753        mso-tstyle-colband-size:0;
1754        mso-style-noshow:yes;
1755        mso-style-priority:99;
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1758        mso-para-margin:0in;
1759        mso-para-margin-bottom:.0001pt;
1760        mso-pagination:widow-orphan;
1761        font-size:10.0pt;
1762        font-family:"Times New Roman","serif";}
1763</style>
1764<![endif]-->
1765<link href=gsasIIfav.png rel="SHORTCUT ICON">
1766<!--[if gte mso 9]><xml>
1767 <o:shapedefaults v:ext="edit" spidmax="1027"/>
1768</xml><![endif]--><!--[if gte mso 9]><xml>
1769 <o:shapelayout v:ext="edit">
1770  <o:idmap v:ext="edit" data="1"/>
1771 </o:shapelayout></xml><![endif]-->
1772</head>
1773
1774<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1775
1776<div class=WordSection1>
1777
1778<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
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1798</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1799 alt="Description: GSAS-II logo" style='position:absolute;margin-left:44.8pt;
1800 margin-top:0;width:96pt;height:96pt;z-index:251657728;visibility:visible;
1801 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
1802 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
1803 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1804 mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1805 mso-position-vertical-relative:line;mso-width-percent:0;mso-height-percent:0;
1806 mso-width-relative:page;mso-height-relative:page' o:allowoverlap="f">
1807 <v:imagedata src="gsas2logo.png"/>
1808 <w:wrap type="square" anchory="line"/>
1809</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1810align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1811style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1812
1813<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1814is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1815operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1816window, which provides a hierarchical view of the current project; the <a
1817href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1818a particular section of the project, where values can be examined and changed;
1819the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1820representations of the results; and the console which has printout information
1821that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1822
1823<div class=MsoNormal align=center style='text-align:center'><span
1824style='mso-fareast-font-family:"Times New Roman"'>
1825
1826<hr size=2 width="100%" align=center>
1827
1828</span></div>
1829
1830<div class=MsoNormal align=center style='text-align:center'><span
1831style='mso-fareast-font-family:"Times New Roman"'>
1832
1833<hr size=2 width="100%" align=center>
1834
1835</span></div>
1836
1837<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
1838GSAS-II data tree<o:p></o:p></span></h2>
1839
1840<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1841is a hierarchical view of the data items in your GSAS-II project (name.gpx).
1842Clicking on any item in the tree opens a window where information in that item
1843can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
1844Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
1845about how data were collected, such as the sample temperature <a
1846href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
1847the selection to successive entries in the data tree; both the data window and
1848the associated plot (if any) will change.<o:p></o:p></span></p>
1849
1850<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
1851
1852<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1853menus associated with this window provide access to many features of GSAS-II,
1854as outlined below: <o:p></o:p></span></p>
1855
1856<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
1857style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1858style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1859&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
1860
1861<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1862auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1863style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1864style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1865style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
1866saved GSAS-II project file (name.gpx). If you currently have a project file
1867open, you are asked if it is OK to over write it; Cancel will cancel the
1868process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
1869class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
1870of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
1871to e.g. name.gpx to overwrite the current version. Otherwise you may get
1872backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
1873
1874<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1875auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1876style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1877style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1878style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
1879project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
1880tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
1881there. Otherwise, you will be prompted for a new name in a file dialog (you may
1882change directory as well). If the file exists, you will be asked if it OK to
1883overwrite.</span></p>
1884
1885<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1886auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1887style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1888style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1889style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
1890As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
1891Save the current project to a new file. A file dialog will be shown to enter
1892the name (and change directory if desired). If the file exists, you will be
1893asked if it OK to overwrite.</span></p>
1894
1895<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1896auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1897style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1898style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1899style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
1900project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1901&#8211; Close the current project; you will be asked if you want to save it
1902first.</span></p>
1903
1904<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1905auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1906style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1907style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1908style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
1909style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
1910program; if there is a current project you will be asked if you want to save it
1911first. Pressing the red X in the upper right (Windows) also exits (no save option)
1912GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
1913
1914<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
1915style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1916style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1917&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
1918
1919<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1920auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1921style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1922style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1923style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
1924powder diffraction patterns (multiple patterns can be selected). GSAS-II can
1925read most of the old GSAS powder format files with the position in <span
1926class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
1927class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
1928where the position is in degrees 2-theta. As each file is read, an old GSAS
1929style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
1930class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
1931data set is assumed. </p>
1932
1933<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1934auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1937style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
1938powder diffraction images (multiple patterns can be selected). GSAS-II can read
1939many different image file formats including MAR345 files, Quantum ADSC files,
1940and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
1941formats have data fields that should contain relevant information for the
1942exposure (e.g. wavelength), these are rarely filled in correctly by the data
1943acquisition software. Thus, you should have separately noted this information
1944as it will be needed</p>
1945
1946<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1947auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1948style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1949style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1950style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
1951in a list of powder pattern peak positions as either a d-spacing table or a set
1952of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
1953GSAS-II powder pattern indexing. </p>
1954
1955<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1956auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1957style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1958style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1959style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
1960
1961<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1962auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1963style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1964style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1965style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
1966
1967<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1968auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1969style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
1970style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1971style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
1972
1973<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1974auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1975style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
1976style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1977style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
1978creation of a new phase in the data tree (under Phases). You are first prompted
1979in a dialog box for a name to be assigned to the new phase. Then the <b
1980style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
1981opened for this phase; you should first select the phase type, enter the space
1982group symbol and then lattice parameters. Note that nonstandard space group
1983symbols are permitted; there must be spaces between the axial fields (e.g. use
1984&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</p>
1985
1986<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1987auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1988style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
1989style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1990style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
1991phase from the data tree. A dialog box will present the list of phases; pick
1992one (or more) to delete.</p>
1993
1994<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1995auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1996style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
1997style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
1998</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
1999data</b> &#8211; This might be a bad idea!!</p>
2000
2001<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2002auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2003style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2004style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2005</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2006data</b> &#8211; This will remove an item from the data tree. A dialog box with
2007a list of choices is presented.</p>
2008
2009<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2010style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2011style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2012&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </p>
2013
2014<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2015auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2016style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2017style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2018style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2019pair distribution function (PDF) controls for each powder pattern selected in
2020the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2021style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2022Controls</a></span></b> for further directions.</p>
2023
2024<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2025auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2026style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2028style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2029&#8211; This shows a dialog box with all the parameters for your project; those
2030to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2031Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2032The total number of refined parameters is also shown at the top of the list.
2033The value of each parameter is also given. The parameter names are of the form
2034&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2035phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2036item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2037that for atom positions the value is not a <span class=SpellE>refinable</span>
2038parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2039class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2040atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2041&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2042
2043<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2044auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2047style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
2048refinement (Pawley/Rietveld or single crystal) according to the controls set in
2049the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
2050data tree item.</p>
2051
2052<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2053auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2054style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2055style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2056style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2057sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2058normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2059
2060<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2061style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2062style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2063&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2064
2065<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2066auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2067style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2068style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2069style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></p>
2070
2071<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2072auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2075style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP&#8230; - </b>This
2076reads one phase from a GSAS experiment file (name.EXP). The file name is found
2077in a directory dialog; you can change directories as needed. Only .EXP (or
2078.exp) file names are shown. If the selected file has more than one phase, a
2079dialog is shown with the choices; only one can be chosen. If you want more than
2080one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2081command. After selecting a phase, a dialog box is shown with the proposed phase
2082name. You can change it if desired.</p>
2083
2084<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2085auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2087style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2088style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2089the macromolecular phase information from a Protein Data Base file (name.PDB or
2090name.ENT). The file name is found in a directory dialog; you can change
2091directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2092the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2093follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2094dialog box is shown with the proposed phase name. You can change it if desired.</p>
2095
2096<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2097auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2098style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2099style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2100style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2101phase from a Crystallographic Information File (name.CIF). The file name is
2102found in a directory dialog; you can change directories as needed. Only .CIF
2103(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2104has more than one phase, a dialog is shown with the choices; only one can be
2105chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2106normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2107shown with the proposed phase name. You can change it if desired.</p>
2108
2109<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2110auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2111style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2113style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2114This reads one phase from a GSAS-II project file (name.GPX). The file name is
2115found in a directory dialog; you can change directories as needed. Only .GPX
2116(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2117has more than one phase, a dialog is shown with the choices; only one can be
2118chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2119normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2120selecting a phase, a dialog box is shown with the proposed phase name. You can
2121change it if desired.</p>
2122
2123<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2124auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2125style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2126style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2127style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2128
2129<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2130auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2131style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2133style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2134
2135<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2136style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2137style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2138&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2139
2140<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2141auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2142style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2143style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2144style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2145
2146<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2147auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2148style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2149style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2150style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2151
2152<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2153auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2154style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2155style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2156style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2157
2158<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2159auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2162style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2163
2164<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2165auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2166style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2167style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2168style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2169
2170<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2171text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2172style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2173style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2174style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2175
2176<div class=MsoNormal align=center style='text-align:center'><span
2177style='mso-fareast-font-family:"Times New Roman"'>
2178
2179<hr size=2 width="100%" align=center>
2180
2181</span></div>
2182
2183<div class=MsoNormal align=center style='text-align:center'><span
2184style='mso-fareast-font-family:"Times New Roman"'>
2185
2186<hr size=2 width="100%" align=center>
2187
2188</span></div>
2189
2190<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2191GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2192"Times New Roman"'><o:p></o:p></span></h2>
2193
2194<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2195information is displayed in the Data Editing Window, depending on which section
2196of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2197the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2198window described below. <o:p></o:p></span></p>
2199
2200<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2201style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2202
2203<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2204window provides a place for you to enter whatever text commentary you wish.
2205Each time you enter this window, a date/time entry is provided for you. A
2206possibly useful technique is to select a portion of the console window after a
2207refinement completes (it will contain refinement results with residuals, new
2208values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2209window so it becomes a part of your project file.<o:p></o:p></span></p>
2210
2211<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2212style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2213
2214<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2215window provides the main controls for the major calculations in GSAS-II. At
2216present only Refinement Controls are presented. <o:p></o:p></span></p>
2217
2218<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2219of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2220MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2221algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2222package and a third one is a python version utilizing only the <span
2223class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2224the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2225nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2226algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2227routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2228Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2229J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2230python/numpy version was developed by us based on the material in Numerical
2231Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2232&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2233algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2234
2235<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2236
2237<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2238style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2239style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2240style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2241uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2242Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2243perhaps a bit less accurate, but may be needed if the analytic functions are
2244not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2245x M (parameters x observations) and is much larger than the Hessian matrix
2246which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2247Hessian&#8217; for routine work.<o:p></o:p></span></p>
2248
2249<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2250style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2251style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2252style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2253delta-M/M&#8217; for convergence; the refinement will stop when the change in
2254the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2255force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2256(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2257to 1.0.<o:p></o:p></span></p>
2258
2259<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2260style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2261style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2262style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2263Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2264the first cycle of refinement. This value is modified by the least squares
2265routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2266needed if your initial <span class=GramE>refinement</span> trials immediately diverge,
2267however make sure your starting parameter values are &#8216;reasonable&#8217;.
2268The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p>
2269
2270<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2271style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2272style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2273style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2274Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2275number of least squares cycles to be performed. Least squares cycles are
2276determined by the number of times a new Hessian matrix is computes; the <span
2277class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2278several times between cycles as it finds the optimal value of the Marquardt
2279coefficient. Choices are given in the pull down selection; the default is 3
2280cycles.<o:p></o:p></span></p>
2281
2282<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2283style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2284style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2285style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential
2286refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2287
2288<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2289
2290<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2291window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2292shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2293
2294<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2295
2296<span style='mso-bookmark:Constraints'></span>
2297
2298<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2299window shows the constraints to be used in a refinement. It is organized into
2300three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2301parameters that describe aspects of the crystalline phases to be used in the
2302refinement (e.g. atom coordinates, thermal motion and site fraction
2303parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2304aspects of the pattern that depend on both the phase and the data set used in
2305the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2306"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2307and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2308that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2309and Y).<o:p></o:p></span></p>
2310
2311<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2312
2313<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2314style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2315style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2316style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2317parameter types you wish to constrain. Each will have the same possibilities in
2318the &#8216;Edit menu.<o:p></o:p></span></p>
2319
2320<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2321style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2322style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2323style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2324style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2325
2326<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2327auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2328style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2329style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2330class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2331"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2332style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2333style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2334that you wish to remain fixed although other parameters of the same type may be
2335selected as a group for refinement. For example, if the space group for a phase
2336has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2337is arbitrary and should be selected for a Hold to keep the structure from
2338drifting up or down the y-axis during refinement. If selected, a dialog box
2339will appear showing the list of available parameters; select one and then OK to
2340implement it, Cancel will cancel the operation. The held parameter will be
2341shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2342button can be used to remove it.<o:p></o:p></span></p>
2343
2344<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2345auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2346style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2347style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2348style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2349equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2350&#8211; select a list of parameters that should have the same value (possibly
2351with a non-unitary multiplier for some). Examples are a list of atoms with the
2352same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2353coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2354selected, a dialog box will appear with a list of the available parameters.
2355Select one and press OK; a second dialog box will appear with only those
2356parameters that can be made equivalent to the first one. Choose those and press
2357OK. Cancel in either dialog will cancel the operation. The equivalenced
2358parameters 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;
2359usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2360button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2361equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2362
2363<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2364auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2365style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2366style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2367style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2368constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2369&#8211; select a list of parameters whose sum (with possible non-unitary
2370multipliers) is fixed. For example, the sum of site fractions for atoms on the
2371same site could be fixed to unity. If selected, a dialog box will appear with a
2372list of the available parameters. Select one and press OK; a second dialog box
2373will appear with only those parameters that can be used in a constraint with
2374the first one. Choose those and press OK. Cancel in either dialog will cancel
2375the operation. The equivalenced parameters will show as an equation of the form
2376M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2377multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2378the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2379constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2380
2381<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2382text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2385style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2386function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2387&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2388the result of the sum can be varied in the refinement. The keyword
2389&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2390indicates your choice to refine the result of the sum. A Delete button can be
2391used to remove it.<o:p></o:p></span></p>
2392
2393<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2394style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2395
2396<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2397window is empty<o:p></o:p></span></p>
2398
2399<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2400
2401<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2402just yet<o:p></o:p></span></p>
2403
2404<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2405style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2406
2407<p class=MsoNormal>In this window is tabulated the results of your sequential
2408refinement. The columns are the parameter names; the naming convention is
2409&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2410h is the histogram number, name is the parameter name, and num (if needed) is
2411the item number (e.g. atom number). The rows are the data sets used in the
2412sequential refinement.</p>
2413
2414<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2415
2416<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2417
2418<h3>Histograms</h3>
2419
2420<p class=MsoNormal>These are shown in the data tree with a prefix of
2421&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2422&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2423constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2424analysis. Selection of these items does not produce any information in the data
2425window but does display the data in the Plots Window. They are described below.</p>
2426
2427<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2428
2429<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2430a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2431href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2432tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety
2433of subcategories in the tree are shown. The items that are shown depend on the
2434data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2435
2436<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2437style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2438
2439<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2440style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2441"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2442</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2443&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2444
2445<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2446text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2447style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2448style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2449style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2450style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2451&#8211; this produces a &#8216;normal probability&#8217; plot for the
2452refinement result as bounded by the limits. The slope and intercept of the
2453curve in the central region (-1 &lt; </span></span><span style='mso-bookmark:
2454Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2455style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2456style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2457"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2458style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2459plot status line. The slope is the square root of GOF for the best fit set of
2460data points (~68% of the data).<o:p></o:p></span></span></p>
2461
2462<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2463
2464<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2465whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2466file was read by GSAS-II. If you are lucky, there will be useful information
2467here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
2468will be blank. The text is read-only in that anything you try to enter here is
2469not saved.</span></p>
2470
2471<span style='mso-bookmark:Comments'></span>
2472
2473<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2474style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2475
2476<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2477window shows the limits in position to be used in any fitting for this powder
2478pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2479maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2480needed.<o:p></o:p></span></p>
2481
2482<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2483
2484<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2487style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2488class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2489&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2490changed (the background on the box will be blue or have a black border or a
2491vertical bar will appear in the value), then enter the new value and press
2492Enter or click the mouse elsewhere in the Background window. This will set the
2493new value.<o:p></o:p></span></p>
2494
2495<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2496style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2497style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2498style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2499&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2500(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2501line) into position. A left or right mouse click on a data point on the plot
2502will set the associated limit. In either case the appropriate value on the
2503&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2504
2505<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2506style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2507style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2508style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2509style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2510
2511<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2512text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2513style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2514style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2515style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2516style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2517limits shown to other selected powder patterns. If used, a dialog box (Copy
2518Parameters) will appear showing the list of available powder patterns, you can
2519copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2520copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2521&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2522
2523<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2524
2525<span style='mso-bookmark:Background'></span>
2526
2527<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2528window shows the choice of background functions and coefficients to be used in
2529fitting this powder pattern. There are three types of contributions available
2530for the background:<o:p></o:p></span></p>
2531
2532<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2533A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2534&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2535interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2536interpolate&#8217;). The latter three select fixed points with spacing that is <span
2537class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2538x-coordinate. The set of magnitudes at each point then comprise the background
2539variables. All are refined when refine is selected.<o:p></o:p></span></p>
2540
2541<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2542"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2543form:<o:p></o:p></span></p>
2544
2545<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2546"Times New Roman"'><span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span><!--[if gte msEquation 12]><m:oMath><i
2547 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2548 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
2549   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2550   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2551   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2552     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2553     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2554     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2555     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2556     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2557     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2558     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
2559   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2560   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2561   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2562   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2563   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2564   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2565   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2566     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2567     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2568     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2569     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2570     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2571     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2572     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
2573style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2574"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2575top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2576EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2577 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2578 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2579</v:shape><![endif]--><![if !vml]><img width=178 height=51
2580src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
25821'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2583
2584<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2585style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2586variables and can be individually selected as desired; Q = 2</span><span
2587style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2588style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2589
2590<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2591A set of individual Bragg peaks using the pseudo-Voigt profile function as
2592their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2593&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2594&#8216;gam&#8217;; each can be selected for refinement. The default values for
2595sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2596to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2597
2598<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2599
2600<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2601style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2602style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2603style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2604style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2605
2606<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2607auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2608style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2609style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2610style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2611style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2612background parameters shown to other selected powder patterns. If used, a
2613dialog box (Copy Parameters) will appear showing the list of available powder
2614patterns, you can copy the background parameters to any or all of them; select
2615&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2616do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2617
2618<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2619auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2620style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2621style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2622style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2623flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2624this copies only the refinement flags shown to other selected powder patterns.
2625If used, a dialog box (Copy Refinement Flags) will appear showing the list of available
2626powder patterns, you can copy the refinement flags to any or all of them;
2627select &#8216;All&#8217; to copy them to all patterns. Then select
2628&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2629
2630<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2631style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2632style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2633style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2634Background function from the pull down tab.<o:p></o:p></span></p>
2635
2636<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2637style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2638style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2639style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2640refine the background coefficients.<o:p></o:p></span></p>
2641
2642<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2643style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2644style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2645style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2646background coefficients to be used (1-36).<o:p></o:p></span></p>
2647
2648<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2649style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2650style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2651style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2652background coefficient values. Enter the value then press Enter or click the
2653mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2654
2655<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2656style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2657style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2658style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2659Debye scattering terms into the background. For each one you should enter a
2660sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2661an amorphous phase is appropriate. Select parameters to refine; usually start
2662with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2663
2664<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2665style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2666style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2667style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2668Bragg peaks into the background. For each you should specify at least the
2669position. Select parameters to refine; usually start with the &#8216;<span
2670class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2671
2672<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2673"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2674style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2675
2676<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2677window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2678
2679<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2680
2681<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2682style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2683style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2684style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2685style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2686
2687<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2688auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2689style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2690style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2691style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2692profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2693loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2694replacing the existing instrument parameter values. All refinement flags are
2695unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2696
2697<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2698auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2699style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2700style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2701style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2702profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2703the current instrument parameter values in a simple text file (<span
2704class=SpellE>name.instprm</span>); you will be prompted for the file name
2705&#8211; do not change the extension. This file may be edited but heed the warning
2706to not change the parameter names, the order of the parameter records or add
2707new parameter records as this will invalidate the file. You may only change the
2708numeric values if necessary. You can change or add comment records (begins with
2709&#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2710
2711<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2712auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2713style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2714style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2715style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2716profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2717resets the values for the instrument parameters to the default values shown in
2718parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2719
2720<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2721auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2722style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2723style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2724style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2725style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2726instrument parameters shown to other selected powder patterns. If used, a
2727dialog box (Copy parameters) will appear showing the list of available powder
2728patterns, you can copy the instrument parameters to any or all of them; select
2729&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2730do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2731work for instrument parameters that are commensurate with the one that is
2732shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2733style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2734style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2735style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2736style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2737style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2738style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2739
2740<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2741auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2742style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2743style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2744style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2745flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2746&#8211; this copies the instrument parameter refinement flags shown to other selected
2747powder patterns. If used, a dialog box (Copy refinement flags) will appear
2748showing the list of available powder patterns, you can copy the instrument
2749parameter refinement flags to any or all of them; select &#8216;All&#8217; to
2750copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2751&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
2752instrument parameters that are commensurate with the one that is shown, e.g.
2753single radiation patterns will not be updated from K</span><sub><span
2754style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2755style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2756style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2757style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2758style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2759style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2760
2761<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2762auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2763style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2764style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2765style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2766radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2767&#8211; this changes the radiation between single wavelength (e.g. for
2768synchrotron source) and K</span><sub><span style='font-family:Symbol;
2769mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2770style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2771style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2772style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2773style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2774style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2775laboratory tube source).<o:p></o:p></span></p>
2776
2777<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2778style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2779style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2780style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2781profile coefficients<o:p></o:p></span></p>
2782
2783<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2784style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2785style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2786style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2787profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2788circumstances some choices are ignored e.g. Zero is not refined during peak
2789fitting. Also some choices may lead to unstable refinement, e.g. <span
2790class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2791&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2792style='mso-fareast-font-family:"Times New Roman"'> display for highly
2793correlated parameters.<o:p></o:p></span></p>
2794
2795<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2796"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2797
2798<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2799window show the various sample dependent parameters for this powder pattern.
2800The presence of a refine button indicates which can be refined while others are
2801fixed. All values can be changed in this window.<o:p></o:p></span></p>
2802
2803<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
2804Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
2805do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
2806style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
2807color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
2808
2809<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
2810style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
2811style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2812normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
2813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2814style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2815normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
2816style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
2817style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
2818style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
2819style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2820normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
2821
2822<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
2823text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
2824style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
2825style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2826style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2827style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
2828style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
2829style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2830sample parameters shown to other selected powder patterns. If used, a dialog
2831box (Copy parameters) will appear showing the list of available powder
2832patterns, you can copy the sample parameters to any or all of them; select
2833&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2834do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
2835
2836<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2837text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
2838style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
2839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2841style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2842flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
2843style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
2844- &#8211; this copies the sample parameter refinement flags shown to other
2845selected powder patterns. If used, a dialog box (Copy refinement flags) will
2846appear showing the list of available powder patterns, you can copy the sample
2847parameter refinement flags to any or all of them; select &#8216;All&#8217; to
2848copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2849&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
2850
2851<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
2852style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
2853style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2854
2855<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2856window shows the list of peaks that will be used by the peak fitting
2857refinement. It is filled by picking peaks in the powder pattern displayed in
2858the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
2859
2860<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
2861style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
2862can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
2863style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2864normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
2865
2866<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2867style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2868"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2869bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2870</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2871color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
2872style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2873color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
2874style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2875normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
2876
2877<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2878tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2879style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2880normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
2881style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2882class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
2883style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2884color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
2885peak parameters, background and instrument parameter values varied in the last
2886peak fitting refinement back to their original values. Use this to recover from
2887a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
2888only a single level of recovery available.<o:p></o:p></span></span></h5>
2889
2890<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2891tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2892style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2893normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span
2894style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2895style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span
2896class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span
2897style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2898normal;mso-bidi-font-weight:bold'> &#8211; perform a least squares fit of the
2899peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
2900background parameters and instrument parameters with refine checked will be
2901varied in this refinement. The refinement will proceed until convergence. We
2902suggest you vary the intensity along with the background first (the default),
2903then vary the position and instrument parameters after. The order will depend
2904on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
2905&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
2906difference curve displayed in the GSASII Plots window. If individual peaks show
2907peak widths that are widely different, their individual sigma and gamma
2908parameters may be refined. If the refinement results in negative peak
2909coefficients, these will be highlighted in red. If this happens, you should </span></span><span
2910style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
2911"Times New Roman";color:windowtext'>UnDo</span></span></span><span
2912style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2913color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
2914and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
2915
2916<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2917tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2918style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2919normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
2920style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2921style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
2922cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
2923style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2924normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
2925squares refinement. This can be used in difficult cases to get a refinement
2926started toward convergence.<o:p></o:p></span></span></h5>
2927
2928<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2929tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2930style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2931normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
2932style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2933style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
2934and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
2935style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2936normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
2937gamma to those computed from the instrument parameters U, V, W, <span
2938class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
2939
2940<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2941tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2942style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2943normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
2944style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2945style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
2946style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2947color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
2948removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
2949
2950<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2951style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2952"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2953bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2954</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2955color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
2956peaks to the Peak list using the mouse on the plot by: 1) position the pointer
2957near to the top point on a peak, 2) press the left mouse button. The selected
2958peak will be added to the Peak List in its correct sorted order and a blue
2959vertical line will be plotted on that position. Be sure that the Zoom/Pan
2960buttons are not selected on the Plot window. We recommend that you begin
2961picking peaks from the right side of the pattern; that way the tool tip
2962won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
2963
2964<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2965style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2966"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2967bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2968</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2969color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
2970Peak List item using the mouse on the plot by: 1) position the pointer on the
2971blue line for the peak you wish to move, 2) holding the left mouse button down,
2972drag to the desired position &amp; then release the button. The peak line will
2973be drawn in the new position. Be sure that the Zoom/Pan buttons are not
2974selected on the Plot window.<o:p></o:p></span></span></h5>
2975
2976<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2977style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2978"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2979</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
2980can change individual peak coefficient values. Enter the value then press Enter
2981or Tab or click the mouse elsewhere in the Peak List window. This will set the
2982new value.<o:p></o:p></span></span></p>
2983
2984<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2985style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2986"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2987</span></span></span><![endif]>You can change the refine flags either by
2988clicking on the box or by selecting one and then selecting the column (a single
2989click on the column heading; column should show in blue). Then type
2990&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
2991style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
2992
2993<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2994style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2995"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2996bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2997</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2998color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
2999peaks in the Peak List by selecting rows (should appear in blue) and then
3000pressing the Delete key. You can also delete peaks using the mouse on the plot
3001by positioning the pointer on the blue line for the peak to be deleted and then
3002pressing the right mouse button. The blue line should vanish and the
3003corresponding peak will be removed from the Peak List. Be sure that the
3004Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3005
3006<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3007"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3008"Times New Roman"'><o:p></o:p></span></h4>
3009
3010<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3011window shows the list of peaks that will be used for indexing (see </span><a
3012href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3013Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3014It must be filled before indexing can proceed. When indexing is completed, this
3015display will show the resulting <span class=SpellE>hkl</span> values for every
3016indexed reflection along with the calculated d-spacing (&#8216;d-<span
3017class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3018href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3019Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3020
3021<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3022
3023<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3026style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3027style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3028style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3029positions &amp; intensities from the </span><a href="#Peak_List"><span
3030style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3031style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3032the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3033Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3034href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3035Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3036table to the position shown here.<o:p></o:p></span></p>
3037
3038<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3039style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3040style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3041style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3042peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3043
3044<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3045style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3046"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3047"Times New Roman"'><o:p></o:p></span></h4>
3048
3049<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3050window... <o:p></o:p></span></p>
3051
3052<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3053List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3054
3055<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3056window... <o:p></o:p></span></p>
3057
3058<h3>Single Crystal Histograms - HKLF</h3>
3059
3060<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3061Functions - PDF<o:p></o:p></span></h3>
3062
3063<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3064Controls<o:p></o:p></span></h4>
3065
3066<p class=MsoNormal>This window </p>
3067
3068<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3069"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3070<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>
3071
3072<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3073window... <o:p></o:p></span></p>
3074
3075<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3076IMG<o:p></o:p></span></h3>
3077
3078<h4><a name=Images>Image Controls</a></h4>
3079
3080<span style='mso-bookmark:Images'></span>
3081
3082<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3083window... <o:p></o:p></span></p>
3084
3085<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3086mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3087style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3088name="Image_Masks"></a><![endif]></h4>
3089
3090<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3091window... <o:p></o:p></span></p>
3092
3093<h3>Phase Windows</h3>
3094
3095<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3096a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3097shown for that selected phase in a tabbed window. Clicking on each tab raises
3098the windows listed below. Each tab is identified by the underlined phrase in
3099the following:<o:p></o:p></span></p>
3100
3101<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3102Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3103
3104<span style='mso-bookmark:General'></span>
3105
3106<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3107gives overall parameters describing the phase such as the name, space group,
3108the unit cell parameters and overall parameters for the atom present in the
3109phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3110
3111<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3112
3113<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3114style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3115style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3116style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3117style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3118shows computations that are possible for this phase.<o:p></o:p></span></p>
3119
3120<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3121auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3122style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3123style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3124style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3125maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3126compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3127
3128<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3129auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3130style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3131style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3132style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3133maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3134search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3135% of the maximum will be found in this procedure; they will be printed on the
3136console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3137page. This page will immediately be shown and the peaks will be shown on the structure
3138drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3139
3140<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3141style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3142style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3143style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3144of the General page that can be changed are Phase name, Phase type, Space
3145group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3146
3147<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3148auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3149style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3150style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3151style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3152name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3153this is the name assigned to this phase. It should only be changed when the
3154phase is initialized or imported.<u><o:p></o:p></u></span></p>
3155
3156<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3157auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3158style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3159style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3160style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3161type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3162can only be set when there are no atoms in the Atoms page for this phase.
3163Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3164
3165<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3166auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3167style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3168style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3169style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3170group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3171&#8211; this should be set when the phase is initialized; it can be changed
3172later. Be careful about the impact on Atom site symmetry and multiplicity if
3173you do. GSAS-II will recognize any legal space group symbol using the short
3174Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3175fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3176with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3177setting where the center of inversion is located at the origin. The choice of
3178space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3179
3180<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3181auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3182style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3183style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3184style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3185unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3186&#8211; set this flag to refine the unit cell parameters in a Rietveld or
3187Pawley refinement. The actual parameters refined are the symmetry allowed terms
3188(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
3189normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3190"Times New Roman"'><br>
3191</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3192    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3193    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3194    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3195    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3196    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3197    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3198    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3199  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3200  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3201    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3202    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3203    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3204    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3205    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3206    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3207    "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3208    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3209    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3210    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3211    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3212    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3213    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3214    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3215  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3216  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3217    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3218    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3219    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3220    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3221    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3222    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3223    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3224    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3225    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3226    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3227    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3228    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3229    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3230    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3231  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3232  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3233    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3234    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3235    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3236    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3237    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3238    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3239    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3240    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3241    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3242    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3243    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3244    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3245    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3246    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3247  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3248  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3249    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3250    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3251    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3252    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3253    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3254    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3255    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3256  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3257  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
3258    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3259    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3260    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3261    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3262    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3263    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3264    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3265  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3266  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
3267    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3268    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3269    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3270    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3271    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3272    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3273    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3274  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3275  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3276style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3277"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3278mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3279 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3280 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3281</v:shape><![endif]--><![if !vml]><img width=335 height=19
3282src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3283style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3284
3285<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3286auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3287style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3288style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3289class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3290"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3291style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3292style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3293only those permitted by the space group are shown. The volume is computed from
3294the values entered.<u><o:p></o:p></u></span></p>
3295
3296<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3297style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3298style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3299style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3300Atoms page then the Elements table is shown next on the General page; you may
3301select the isotope (only relevant for neutron diffraction experiments). The
3302density is computed depending on this choice, the unit cell volume and the atom
3303fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3304
3305<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3306style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3307style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3308style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3309shown at the bottom of the General page. A completed Rietveld or Pawley
3310refinement is required before a Fourier map can be computed. Select the desired
3311type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3312
3313<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3314</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3315
3316<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3317
3318<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3319style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3320mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3321line-break'>
3322<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3323<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3324
3325<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3326
3327<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3328
3329<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3330
3331<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3332
3333<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3334
3335<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3336
3337<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3338
3339<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3340
3341<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3342rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3343ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3344menus for this tab; Edit allows modification of the list of atoms to be
3345rendered and Compute gives some options for geometric characterization of
3346selected atoms.</p>
3347
3348<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3349
3350<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3351style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3352style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3353Selection from table: select individual atoms by a left click of the mouse when
3354pointed at the left most column (atom numbers) of the atom display; hold down
3355the Ctrl key to add to your selection; a previously selected atom will be deselected.
3356A selected atom will be highlighted (in grey) and the atom will be shown in
3357green on the plot. Selection without the Ctrl key will clear previous
3358selections. A double left click in the (empty) upper left box will select or
3359deselect all atoms.</p>
3360
3361<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3362style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3363style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3364Selection from plot: select an atom by a left click of the mouse while holding
3365down the Shift key and pointed at the center of the displayed atom, it will
3366turn green if successful and the corresponding entry in the table will be
3367highlighted (in grey); any previous selections will be cleared. To add to .your
3368selection use the right mouse button (Shift down); if a previously selection is
3369reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3370normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3371to select, they may be selected inadvertently. You can rotate the structure
3372anytime during the selection process.</p>
3373
3374<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3375style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3376style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3377left click a Name, Type and Sym Op column heading: a dialog box is shown that
3378allows you to select all atoms with that characteristic. For example, selecting
3379the Type column will show all the atom types; your choice will then cause all
3380those atoms to be selected.</p>
3381
3382<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3385left click a Style, Label or Color column: a dialog box is shown that allows
3386you to select a rendering option for all the atoms. For Color a color choice
3387dialog is displayed that covers the entire color spectrum. Choose a color by
3388any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3389select that color in the Custom colors display and then press OK. <b
3390style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3391have the same color and for Style &#8220;blank&#8221; means the atoms
3392aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3393
3394<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3395style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3396style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3397&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3398shows operations that can be performed on your selected atoms. You must select
3399one or more atoms before using any of the menu items.</p>
3400
3401<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3402auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3403style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3404style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3405style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3406style for the selected atoms</p>
3407
3408<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3409auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3410style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3411style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3412style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3413be shown as a label for each atom in selection. The choices are: none, type,
3414name or number.</p>
3415
3416<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3417auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3418style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3419style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3420style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3421the atom; a color choice dialog is displayed that covers the entire color
3422spectrum. Choose a color by any of the means available, press the &#8220;Add to
3423Custom Colors&#8221;, select that color in the Custom colors display and then
3424press OK.</p>
3425
3426<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3427auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3428style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3429style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3430style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3431atom color back to their defaults for the selected atoms.</p>
3432
3433<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3434auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3435style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3436style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3437style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3438view point to the first atom in the selection.</p>
3439
3440<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3441auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3442style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3443style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3444style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3445atoms, new ones are added to the bottom of the list after applying your choice
3446of symmetry operator and unit cell translation selected via a dialog display.
3447Duplicate atom positions are not retained. Any anisotropic thermal displacement
3448parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3449
3450<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3451auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3452style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3453style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3454style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3455symmetry operator and unit cell translation to the set of selected atoms; they
3456will be changed in place. Any anisotropic thermal displacement parameters (<span
3457class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3458
3459<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3460auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3461style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3462style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3463style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3464currently in the draw atom table, find all atoms that belong in the
3465coordination sphere around the selected atoms via unit cell translations. NB:
3466symmetry operations are not used in this search.</p>
3467
3468<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3469auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3470style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3471style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3472</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3473cell</b> - using the atoms currently selected from the draw atom table, find
3474all atoms that fall inside or on the edge/surface/corners of the unit cell.
3475This operation is frequently performed before Fill CN-sphere.</p>
3476
3477<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3478auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3479style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3480style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3481</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3482atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3483the Atoms table. You should do this operation after any changes in the Atoms
3484table, e.g. by a structure refinement.</p>
3485
3486<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3487style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3488style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3489&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3490menu gives a choice of geometric calculations to be performed with the selected
3491atoms. You must select the appropriate number of atoms for these to work and
3492the computation is done for the atoms in selection order.</p>
3493
3494<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3495auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3496style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3497style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3498style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3499normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3500a distance, angle or torsion angle will be found for them. The angles are
3501computed for the atoms in their selection order. The torsion angle is a right
3502hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3503estimated standard deviation is given for the calculated value if a current
3504variance-covariance matrix is available. The result is shown on the console
3505window; it may be cut &amp; pasted to another application (e.g. Microsoft
3506Word).</p>
3507
3508<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3509text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3510style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3511style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3512style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3513are selected, a best plane is determined for them. The result is shown on the
3514console window; it may be cut &amp; pasted to another application (e.g. Microsoft
3515Word). Shown are the atom coordinates transformed to Cartesian best plane
3516coordinates where the largest range is over the X-axis and the smallest is over
3517the Z-axis with the origin at the <span class=SpellE>unweighted</span> center
3518of the selection. Root mean square displacements along each axis for the best
3519plane are also listed. The Z-axis RMS value indicates the flatness of the
3520proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3521(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3522atoms with respect to a coordinate system where the X-axis is along the longest
3523axis of the atom grouping and the Z-axis is along the shortest distance. The
3524origin is at the <span class=SpellE>unweighted</span> center of the selected
3525atoms.</p>
3526
3527<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3528
3529<p class=MsoNormal>This gives the list of reflections used in a Pawley refinement
3530and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3531style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3532style='color:#00B0F0'>.</span></p>
3533
3534<h5>What can I do here?</h5>
3535
3536<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3537style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3538style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3539<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3540
3541<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3542auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3543style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3544style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3545style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3546new set of Pawley reflections, over writing any preexisting Pawley set. They
3547are generated with d-<span class=SpellE>spacings</span> larger than the limit
3548set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3549for this phase. By default the refine flags are not set and the <span
3550class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3551class=SpellE>hkl</span>) = 100.0.</p>
3552
3553<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3554auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3555style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3556style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3557style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3558an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3559class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3560reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3561the <a href="#Data">Data</a> tab.</p>
3562
3563<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3564auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3565style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3566style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3567style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3568set of Pawley reflections.</p>
3569
3570<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3571style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3572style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3573can change the refine flags either by clicking on the box or by selecting one
3574and then selecting the column (a single click on the column heading). Then type
3575&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3576You should deselect those reflections that fall below the lower limit or above
3577the upper limit of the powder pattern otherwise you may have a singular matrix
3578error in your Pawley refinement.</p>
3579
3580<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3582style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3583can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3584class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3585typing in the new value and then pressing enter or selecting somewhere else in
3586the table.</p>
3587
3588<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3589
3590<h4><a name="Map_peaks">Map peaks</a></h4>
3591
3592<span style='mso-bookmark:Map_peaks'></span>
3593
3594<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3595found within the unit cell from the last Fourier map search sorted in order of
3596decreasing peak magnitude. The crystal structure plot shows each peak position
3597as a white 3-D cross.</p>
3598
3599<h5>What can I do here?<o:p></o:p></h5>
3600
3601<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span
3602style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3603style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3604a peak with a left click on the left hand row number, hold Ctrl key down to add
3605more peaks to your selection. Each peak selected will show as a green 3-D cross
3606on the crystal structure plot.<o:p></o:p></p>
3607
3608<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span
3609style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3610style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3611<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3612style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3613
3614<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3615auto;text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span
3616style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3617style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3618style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3619peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3620Atoms</a> list. They will be appended to the end of each list each with the
3621name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3622drawn as small white spheres at their respective positions in the structure
3623drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
3624change the atom type to whatever element you desire; it will be renamed
3625automatically.</p>
3626
3627<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3628text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span
3629style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3630style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3631style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all the
3632peaks in the map peak list; they are also removed from the crystal structure
3633drawing plot.</p>
3634
3635<div class=MsoNormal align=center style='text-align:center'><span
3636style='mso-fareast-font-family:"Times New Roman"'>
3637
3638<hr size=2 width="100%" align=center>
3639
3640</span></div>
3641
3642<div class=MsoNormal align=center style='text-align:center'><span
3643style='mso-fareast-font-family:"Times New Roman"'>
3644
3645<hr size=2 width="100%" align=center>
3646
3647</span></div>
3648
3649<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3650GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3651style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3652style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3653
3654<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3655window presents all the graphical material as a multipage tabbed set of plots
3656utilizing the <span class=SpellE>matplotlib</span> python package. Each page
3657has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3658
3659<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3660mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3661src=graphbar.jpg alt="Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3662style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3663
3664<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3665are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3666
3667<ul type=disc>
3668 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3669     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3670     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3671 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3672     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3673     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3674 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3675     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3676     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3677     of the Back button <o:p></o:p></span></li>
3678 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3679     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3680     "Times New Roman"'>Pan: allows you to control panning across the plot
3681     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3682 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3683     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3684     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3685     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3686 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3687     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3688     "Times New Roman"'>Save: allows you to save the currently displayed plot
3689     in one of several graphical formats suitable for printing or insertion in
3690     a document.<o:p></o:p></span></li>
3691 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3692     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
3693     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3694</ul>
3695
3696<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3697
3698<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3699the toolbar may be a status bar that on the left may show either an instruction
3700for a keyed input or a pull down selection of keyed input; on the right may be
3701displayed position dependent information that is updated as the mouse is moved
3702over the plot region.<o:p></o:p></span></p>
3703
3704<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3705
3706<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3707specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3708
3709<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3710
3711<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3712powder patterns that are part of your project are shown on this page. They can be
3713displayed as a stack of powder patterns, just a single pattern or as a contour
3714image of the peak intensities. What can be done here will depend on which is
3715displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
3716
3717<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3718
3719<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
3720style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3721style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3722style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3723the plot, the plot status line will show the cursor position in 2</span><span
3724style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3725style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3726intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3727Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3728style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3729
3730<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
3731style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3732style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3733the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3734press&#8217; </b>&#8211; you can either press the key on the key board or
3735select from the pull down menu. For line plots:</p>
3736
3737<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3738auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3739style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3740style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3741class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3742style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3743plot of multiple powder profiles, increase the offset to the left. Does not
3744apply if only one pattern.</p>
3745
3746<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3747auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3748style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3749style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3750class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3751style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3752of multiple powder profiles, increase the offset to the left. Does not apply if
3753only one pattern.</p>
3754
3755<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3756auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3757style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3758style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3759class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3760style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3761multiple powder profiles, increase the offset down. Does not apply if only one
3762pattern.</p>
3763
3764<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3765auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3766style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3767style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3768class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3769style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3770multiple powder profiles, increase the offset up. Does not apply if only one
3771pattern.</p>
3772
3773<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3774auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3775style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3776style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3777class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3778style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3779of multiple powder profiles, reset to no offset. Does not apply if only one
3780pattern.</p>
3781
3782<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3783auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3784style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3785style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3786class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3787style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3788y-axis to be the log10 of the intensity; difference curve is not shown for
3789log(I) on.</p>
3790
3791<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3792auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3795class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
3796style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
3797powder profiles, then a contour plot is shown of the observed intensities. All
3798data sets must be the same length as the first one to be included in the
3799contour plot.</p>
3800
3801<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3802auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3805style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
3806x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
3807style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
3808taken at different energies on the same x-axis scale.</p>
3809
3810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3811auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3814</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3815normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
3816&#8211; for multiple powder profiles, this will show only the one selected from
3817the data tree. The offset options are not active.</p>
3818
3819<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3820auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3821style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3822style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3823</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3824normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
3825sig</b> &#8211; for the pattern selected from the data tree, this will divide
3826the observed, calculated and difference curves by the <span class=SpellE>esd</span>
3827for the data points. Other data sets are not shown.</p>
3828
3829<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3830auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
3832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3833style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
3834profiles, only the observed curve is shown.</p>
3835
3836<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
3837style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3838style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3839style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
3840line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
3841
3842<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3843auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3844style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3845style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3846class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3847"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
3848style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
3849style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
3850level chosen for the highest contour color.<o:p></o:p></span></p>
3851
3852<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3853auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3854style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3855style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3856style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
3857raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3858&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
3859
3860<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3861auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3862style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3863style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3864class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3865"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
3866style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
3867style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
3868method used to represent the contours. If selected a dialog box appears with
3869all the possible choices. Default is &#8216;nearest&#8217;; the other useful
3870choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
3871
3872<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3873auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3876class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3877"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
3878style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
3879style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
3880color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
3881black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
3882black on white) or &#8216;gray&#8217; (for white on black). Others can be very
3883colorful (but not useful)!<o:p></o:p></span></p>
3884
3885<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3886auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3887style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3888style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3889class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3890"Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span
3891style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span
3892style='mso-fareast-font-family:"Times New Roman"'> &#8211; this turns off
3893contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
3894
3895<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
3896style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3897style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3898style='mso-fareast-font-family:"Times New Roman"'>Depending on the item chosen
3899for the selected powder pattern in the data tree, the mouse buttons have
3900different actions:<o:p></o:p></span></p>
3901
3902<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3903auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3906style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b><span
3907style='mso-fareast-font-family:"Times New Roman"'> - Modify the values of
3908&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
3909(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
3910line) into position. A left or right mouse click on a data point on the plot
3911will set the associated limit. In either case the appropriate value on the
3912&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
3913
3914<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3915text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
3916style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3917style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3918style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3919
3920<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
3921"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3922
3923<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
3924style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3925
3926<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3927variance-covariance matrix as a color coded array is shown on this page. The
3928color bar to the right shows the range of <span class=SpellE>covariances</span>
3929(-1 to 1) and corresponding colors. The parameter names are to the right and
3930the parameter numbers are below the plot.<o:p></o:p></span></p>
3931
3932<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3933
3934<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
3935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
3937the mouse cursor across the plot. If on a diagonal cell, the parameter name,
3938value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
3939right hand portion of the status bar. If the cursor is off the diagonal, the
3940two parameter names and their covariance are shown in the tool tip and the
3941status bar.</p>
3942
3943<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
3944style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3945style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
3946the Zoom and Pan buttons to focus on some section of the variance-covariance
3947matrix. </p>
3948
3949<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
3950style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3951style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3952class=GramE>Type &#8216;s&#8217;</span> &#8211; A color scheme selection dialog
3953is shown. Select a color scheme and press <span class=GramE>OK,</span> the new
3954color scheme will be plotted. The default is &#8216;<span class=SpellE>RdYlGn</span>&#8217;.</p>
3955
3956<h4><a name="Structure_Factors"><span style='mso-fareast-font-family:"Times New Roman"'>Structure
3957Factors </span></a></h4>
3958
3959<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3960plot shows... <o:p></o:p></span></p>
3961
3962<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3963
3964<h4><a name="Powder_Lines"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3965Lines </span></a></h4>
3966
3967<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3968plot shows the line positions for the peak list<o:p></o:p></span></p>
3969
3970<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3971
3972<h4><a name="Powder_Patterns"></a><span style='mso-fareast-font-family:"Times New Roman"'>Powder
3973Patterns<o:p></o:p></span></h4>
3974
3975<p class=MsoNormal>This plot shows&#8230;.</p>
3976
3977<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3978
3979<h4><a name="Peak_Widths"><span style='mso-fareast-font-family:"Times New Roman"'>Peak
3980Widths </span></a></h4>
3981
3982<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3983plot shows the contributions to the powder pattern peak widths as </span><span
3984style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
3985style='mso-fareast-font-family:"Times New Roman"'>d/d (= </span><span
3986style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
3987style='mso-fareast-font-family:"Times New Roman"'>q/q) <span class=SpellE>vs</span>
3988<span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family:
3989"Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d)
3990from the Gaussian and <span class=SpellE>Lorentzian</span> parts of the profile
3991function. The computed curves are based on the values of U, V, W, X and Y shown
3992in the Instrument Parameters window in parentheses. These are the values for
3993the instrument contribution that were set when the powder pattern was first
3994read in to GSAS-II. If individual peak fitting has been performed, the values
3995of &#8216;sig&#8217; &amp; &#8216;gam&#8217; for the peaks are plotted as
3996&#8216;+&#8217;; these are computed from the fitted values of U, V, W, X and Y
3997as well as any sig or gam individually refined.<o:p></o:p></span></p>
3998
3999<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
4000
4001<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4002plot shows... <o:p></o:p></span></p>
4003
4004<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4005
4006<h4><a name="Sequential_refinement"></a><span style='mso-fareast-font-family:
4007"Times New Roman"'>Sequential refinement </span></h4>
4008
4009<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4010plot shows the variation of the selected parameters with respect to the data
4011sequence number.<o:p></o:p></span></p>
4012
4013<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4014
4015<h4><a name="2D_Powder_Image"><span style='mso-fareast-font-family:"Times New Roman"'>2D
4016Powder Image </span></a></h4>
4017
4018<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4019plot shows... <o:p></o:p></span></p>
4020
4021<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4022
4023<h4><a name="2D_Integration"><span style='mso-fareast-font-family:"Times New Roman"'>2D
4024Integration </span></a></h4>
4025
4026<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4027plot shows... <o:p></o:p></span></p>
4028
4029<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4030
4031<h4><a name="2D_Transformed_Powder_Image"><span style='mso-fareast-font-family:
4032"Times New Roman"'>2D Transformed Powder Image </span></a></h4>
4033
4034<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4035plot shows... <o:p></o:p></span></p>
4036
4037<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4038
4039<h4><a name=Mustrain><span style='mso-fareast-font-family:"Times New Roman"'>Mustrain
4040</span></a></h4>
4041
4042<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4043plot shows... <o:p></o:p></span></p>
4044
4045<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4046
4047<h4><a name=Size><span style='mso-fareast-font-family:"Times New Roman"'>Size </span></a></