source: trunk/help/gsasII.html @ 585

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25  <o:Author>Von Dreele</o:Author>
26  <o:LastAuthor>Von Dreele</o:LastAuthor>
27  <o:Revision>79</o:Revision>
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382h1
383        {mso-style-priority:9;
384        mso-style-unhide:no;
385        mso-style-qformat:yes;
386        mso-style-link:"Heading 1 Char";
387        mso-margin-top-alt:auto;
388        margin-right:0in;
389        mso-margin-bottom-alt:auto;
390        margin-left:0in;
391        mso-pagination:widow-orphan;
392        mso-outline-level:1;
393        font-size:24.0pt;
394        font-family:"Times New Roman","serif";
395        mso-fareast-font-family:"Times New Roman";
396        mso-fareast-theme-font:minor-fareast;
397        font-weight:bold;}
398h2
399        {mso-style-priority:9;
400        mso-style-unhide:no;
401        mso-style-qformat:yes;
402        mso-style-link:"Heading 2 Char";
403        mso-margin-top-alt:auto;
404        margin-right:0in;
405        mso-margin-bottom-alt:auto;
406        margin-left:0in;
407        mso-pagination:widow-orphan;
408        mso-outline-level:2;
409        font-size:18.0pt;
410        font-family:"Times New Roman","serif";
411        mso-fareast-font-family:"Times New Roman";
412        mso-fareast-theme-font:minor-fareast;
413        font-weight:bold;}
414h3
415        {mso-style-priority:9;
416        mso-style-unhide:no;
417        mso-style-qformat:yes;
418        mso-style-link:"Heading 3 Char";
419        mso-margin-top-alt:auto;
420        margin-right:0in;
421        mso-margin-bottom-alt:auto;
422        margin-left:0in;
423        mso-pagination:widow-orphan;
424        mso-outline-level:3;
425        font-size:13.5pt;
426        font-family:"Times New Roman","serif";
427        mso-fareast-font-family:"Times New Roman";
428        mso-fareast-theme-font:minor-fareast;
429        font-weight:bold;}
430h4
431        {mso-style-noshow:yes;
432        mso-style-priority:9;
433        mso-style-qformat:yes;
434        mso-style-link:"Heading 4 Char";
435        mso-style-next:Normal;
436        margin-top:10.0pt;
437        margin-right:0in;
438        margin-bottom:0in;
439        margin-left:0in;
440        margin-bottom:.0001pt;
441        mso-pagination:widow-orphan lines-together;
442        page-break-after:avoid;
443        mso-outline-level:4;
444        font-size:13.0pt;
445        font-family:"Cambria","serif";
446        mso-ascii-font-family:Cambria;
447        mso-ascii-theme-font:major-latin;
448        mso-fareast-font-family:"Times New Roman";
449        mso-fareast-theme-font:major-fareast;
450        mso-hansi-font-family:Cambria;
451        mso-hansi-theme-font:major-latin;
452        mso-bidi-font-family:"Times New Roman";
453        mso-bidi-theme-font:major-bidi;
454        color:#4F81BD;
455        mso-themecolor:accent1;
456        font-weight:bold;
457        font-style:italic;}
458h5
459        {mso-style-noshow:yes;
460        mso-style-priority:9;
461        mso-style-qformat:yes;
462        mso-style-link:"Heading 5 Char";
463        mso-margin-top-alt:auto;
464        margin-right:0in;
465        mso-margin-bottom-alt:auto;
466        margin-left:0in;
467        mso-pagination:widow-orphan;
468        mso-outline-level:5;
469        font-size:12.0pt;
470        font-family:"Times New Roman","serif";
471        mso-fareast-font-family:"Times New Roman";
472        mso-fareast-theme-font:minor-fareast;
473        color:#4F4FFF;
474        font-weight:bold;}
475a:link, span.MsoHyperlink
476        {mso-style-priority:99;
477        color:blue;
478        text-decoration:underline;
479        text-underline:single;}
480a:visited, span.MsoHyperlinkFollowed
481        {mso-style-noshow:yes;
482        mso-style-priority:99;
483        color:purple;
484        text-decoration:underline;
485        text-underline:single;}
486p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
487        {mso-style-noshow:yes;
488        mso-style-priority:99;
489        mso-style-link:"Document Map Char";
490        margin:0in;
491        margin-bottom:.0001pt;
492        mso-pagination:widow-orphan;
493        font-size:8.0pt;
494        font-family:"Tahoma","sans-serif";
495        mso-fareast-font-family:"Times New Roman";
496        mso-fareast-theme-font:minor-fareast;}
497p
498        {mso-style-noshow:yes;
499        mso-style-priority:99;
500        mso-margin-top-alt:auto;
501        margin-right:0in;
502        mso-margin-bottom-alt:auto;
503        margin-left:0in;
504        mso-pagination:widow-orphan;
505        font-size:12.0pt;
506        font-family:"Times New Roman","serif";
507        mso-fareast-font-family:"Times New Roman";
508        mso-fareast-theme-font:minor-fareast;}
509pre
510        {mso-style-noshow:yes;
511        mso-style-priority:99;
512        mso-style-link:"HTML Preformatted Char";
513        margin:0in;
514        margin-bottom:.0001pt;
515        mso-pagination:widow-orphan;
516        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;
517        font-size:10.0pt;
518        font-family:"Courier New";
519        mso-fareast-font-family:"Times New Roman";}
520p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
521        {mso-style-noshow:yes;
522        mso-style-priority:99;
523        mso-style-link:"Balloon Text Char";
524        margin:0in;
525        margin-bottom:.0001pt;
526        mso-pagination:widow-orphan;
527        font-size:8.0pt;
528        font-family:"Tahoma","sans-serif";
529        mso-fareast-font-family:"Times New Roman";
530        mso-fareast-theme-font:minor-fareast;}
531span.MsoPlaceholderText
532        {mso-style-noshow:yes;
533        mso-style-priority:99;
534        mso-style-unhide:no;
535        color:gray;}
536p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
537        {mso-style-noshow:yes;
538        mso-style-priority:1;
539        mso-style-unhide:no;
540        mso-style-qformat:yes;
541        mso-style-parent:"";
542        margin:0in;
543        margin-bottom:.0001pt;
544        mso-pagination:widow-orphan;
545        font-size:12.0pt;
546        font-family:"Times New Roman","serif";
547        mso-fareast-font-family:"Times New Roman";
548        mso-fareast-theme-font:minor-fareast;}
549p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
550        {mso-style-noshow:yes;
551        mso-style-priority:34;
552        mso-style-unhide:no;
553        mso-style-qformat:yes;
554        margin-top:0in;
555        margin-right:0in;
556        margin-bottom:0in;
557        margin-left:.5in;
558        margin-bottom:.0001pt;
559        mso-add-space:auto;
560        mso-pagination:widow-orphan;
561        font-size:12.0pt;
562        font-family:"Times New Roman","serif";
563        mso-fareast-font-family:"Times New Roman";
564        mso-fareast-theme-font:minor-fareast;}
565p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
566        {mso-style-noshow:yes;
567        mso-style-priority:34;
568        mso-style-unhide:no;
569        mso-style-qformat:yes;
570        mso-style-type:export-only;
571        margin-top:0in;
572        margin-right:0in;
573        margin-bottom:0in;
574        margin-left:.5in;
575        margin-bottom:.0001pt;
576        mso-add-space:auto;
577        mso-pagination:widow-orphan;
578        font-size:12.0pt;
579        font-family:"Times New Roman","serif";
580        mso-fareast-font-family:"Times New Roman";
581        mso-fareast-theme-font:minor-fareast;}
582p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
583        {mso-style-noshow:yes;
584        mso-style-priority:34;
585        mso-style-unhide:no;
586        mso-style-qformat:yes;
587        mso-style-type:export-only;
588        margin-top:0in;
589        margin-right:0in;
590        margin-bottom:0in;
591        margin-left:.5in;
592        margin-bottom:.0001pt;
593        mso-add-space:auto;
594        mso-pagination:widow-orphan;
595        font-size:12.0pt;
596        font-family:"Times New Roman","serif";
597        mso-fareast-font-family:"Times New Roman";
598        mso-fareast-theme-font:minor-fareast;}
599p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
600        {mso-style-noshow:yes;
601        mso-style-priority:34;
602        mso-style-unhide:no;
603        mso-style-qformat:yes;
604        mso-style-type:export-only;
605        margin-top:0in;
606        margin-right:0in;
607        margin-bottom:0in;
608        margin-left:.5in;
609        margin-bottom:.0001pt;
610        mso-add-space:auto;
611        mso-pagination:widow-orphan;
612        font-size:12.0pt;
613        font-family:"Times New Roman","serif";
614        mso-fareast-font-family:"Times New Roman";
615        mso-fareast-theme-font:minor-fareast;}
616span.MsoIntenseReference
617        {mso-style-priority:32;
618        mso-style-unhide:no;
619        mso-style-qformat:yes;
620        font-variant:small-caps;
621        color:#C0504D;
622        mso-themecolor:accent2;
623        letter-spacing:.25pt;
624        font-weight:bold;
625        text-decoration:underline;
626        text-underline:single;}
627span.Heading1Char
628        {mso-style-name:"Heading 1 Char";
629        mso-style-priority:9;
630        mso-style-unhide:no;
631        mso-style-locked:yes;
632        mso-style-link:"Heading 1";
633        mso-ansi-font-size:14.0pt;
634        mso-bidi-font-size:14.0pt;
635        font-family:"Cambria","serif";
636        mso-ascii-font-family:Cambria;
637        mso-ascii-theme-font:major-latin;
638        mso-fareast-font-family:"Times New Roman";
639        mso-fareast-theme-font:major-fareast;
640        mso-hansi-font-family:Cambria;
641        mso-hansi-theme-font:major-latin;
642        mso-bidi-font-family:"Times New Roman";
643        mso-bidi-theme-font:major-bidi;
644        color:#365F91;
645        mso-themecolor:accent1;
646        mso-themeshade:191;
647        font-weight:bold;}
648span.Heading2Char
649        {mso-style-name:"Heading 2 Char";
650        mso-style-noshow:yes;
651        mso-style-priority:9;
652        mso-style-unhide:no;
653        mso-style-locked:yes;
654        mso-style-link:"Heading 2";
655        mso-ansi-font-size:13.0pt;
656        mso-bidi-font-size:13.0pt;
657        font-family:"Cambria","serif";
658        mso-ascii-font-family:Cambria;
659        mso-ascii-theme-font:major-latin;
660        mso-fareast-font-family:"Times New Roman";
661        mso-fareast-theme-font:major-fareast;
662        mso-hansi-font-family:Cambria;
663        mso-hansi-theme-font:major-latin;
664        mso-bidi-font-family:"Times New Roman";
665        mso-bidi-theme-font:major-bidi;
666        color:#4F81BD;
667        mso-themecolor:accent1;
668        font-weight:bold;}
669span.Heading3Char
670        {mso-style-name:"Heading 3 Char";
671        mso-style-noshow:yes;
672        mso-style-priority:9;
673        mso-style-unhide:no;
674        mso-style-locked:yes;
675        mso-style-link:"Heading 3";
676        mso-ansi-font-size:12.0pt;
677        mso-bidi-font-size:12.0pt;
678        font-family:"Cambria","serif";
679        mso-ascii-font-family:Cambria;
680        mso-ascii-theme-font:major-latin;
681        mso-fareast-font-family:"Times New Roman";
682        mso-fareast-theme-font:major-fareast;
683        mso-hansi-font-family:Cambria;
684        mso-hansi-theme-font:major-latin;
685        mso-bidi-font-family:"Times New Roman";
686        mso-bidi-theme-font:major-bidi;
687        color:#4F81BD;
688        mso-themecolor:accent1;
689        font-weight:bold;}
690span.Heading4Char
691        {mso-style-name:"Heading 4 Char";
692        mso-style-noshow:yes;
693        mso-style-priority:9;
694        mso-style-unhide:no;
695        mso-style-locked:yes;
696        mso-style-link:"Heading 4";
697        mso-ansi-font-size:12.0pt;
698        mso-bidi-font-size:12.0pt;
699        font-family:"Cambria","serif";
700        mso-ascii-font-family:Cambria;
701        mso-ascii-theme-font:major-latin;
702        mso-fareast-font-family:"Times New Roman";
703        mso-fareast-theme-font:major-fareast;
704        mso-hansi-font-family:Cambria;
705        mso-hansi-theme-font:major-latin;
706        mso-bidi-font-family:"Times New Roman";
707        mso-bidi-theme-font:major-bidi;
708        color:#4F81BD;
709        mso-themecolor:accent1;
710        font-weight:bold;
711        font-style:italic;}
712span.Heading5Char
713        {mso-style-name:"Heading 5 Char";
714        mso-style-noshow:yes;
715        mso-style-priority:9;
716        mso-style-unhide:no;
717        mso-style-locked:yes;
718        mso-style-link:"Heading 5";
719        mso-ansi-font-size:12.0pt;
720        mso-bidi-font-size:12.0pt;
721        font-family:"Cambria","serif";
722        mso-ascii-font-family:Cambria;
723        mso-ascii-theme-font:major-latin;
724        mso-fareast-font-family:"Times New Roman";
725        mso-fareast-theme-font:major-fareast;
726        mso-hansi-font-family:Cambria;
727        mso-hansi-theme-font:major-latin;
728        mso-bidi-font-family:"Times New Roman";
729        mso-bidi-theme-font:major-bidi;
730        color:#243F60;
731        mso-themecolor:accent1;
732        mso-themeshade:127;}
733span.HTMLPreformattedChar
734        {mso-style-name:"HTML Preformatted Char";
735        mso-style-noshow:yes;
736        mso-style-priority:99;
737        mso-style-unhide:no;
738        mso-style-locked:yes;
739        mso-style-link:"HTML Preformatted";
740        font-family:"Courier New";
741        mso-ascii-font-family:"Courier New";
742        mso-hansi-font-family:"Courier New";
743        mso-bidi-font-family:"Courier New";}
744span.DocumentMapChar
745        {mso-style-name:"Document Map Char";
746        mso-style-noshow:yes;
747        mso-style-priority:99;
748        mso-style-unhide:no;
749        mso-style-locked:yes;
750        mso-style-link:"Document Map";
751        mso-ansi-font-size:8.0pt;
752        mso-bidi-font-size:8.0pt;
753        font-family:"Tahoma","sans-serif";
754        mso-ascii-font-family:Tahoma;
755        mso-fareast-font-family:"Times New Roman";
756        mso-fareast-theme-font:minor-fareast;
757        mso-hansi-font-family:Tahoma;
758        mso-bidi-font-family:Tahoma;}
759span.BalloonTextChar
760        {mso-style-name:"Balloon Text Char";
761        mso-style-noshow:yes;
762        mso-style-priority:99;
763        mso-style-unhide:no;
764        mso-style-locked:yes;
765        mso-style-link:"Balloon Text";
766        mso-ansi-font-size:8.0pt;
767        mso-bidi-font-size:8.0pt;
768        font-family:"Tahoma","sans-serif";
769        mso-ascii-font-family:Tahoma;
770        mso-fareast-font-family:"Times New Roman";
771        mso-fareast-theme-font:minor-fareast;
772        mso-hansi-font-family:Tahoma;
773        mso-bidi-font-family:Tahoma;}
774span.SpellE
775        {mso-style-name:"";
776        mso-spl-e:yes;}
777span.GramE
778        {mso-style-name:"";
779        mso-gram-e:yes;}
780.MsoChpDefault
781        {mso-style-type:export-only;
782        mso-default-props:yes;
783        font-size:10.0pt;
784        mso-ansi-font-size:10.0pt;
785        mso-bidi-font-size:10.0pt;}
786@page WordSection1
787        {size:8.5in 11.0in;
788        margin:1.0in 1.0in 1.0in 1.0in;
789        mso-header-margin:.5in;
790        mso-footer-margin:.5in;
791        mso-paper-source:0;}
792div.WordSection1
793        {page:WordSection1;}
794 /* List Definitions */
795 @list l0
796        {mso-list-id:142163818;
797        mso-list-type:hybrid;
798        mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
799@list l0:level1
800        {mso-level-tab-stop:none;
801        mso-level-number-position:left;
802        text-indent:-.25in;}
803@list l0:level2
804        {mso-level-number-format:alpha-lower;
805        mso-level-tab-stop:none;
806        mso-level-number-position:left;
807        text-indent:-.25in;}
808@list l0:level3
809        {mso-level-number-format:roman-lower;
810        mso-level-tab-stop:none;
811        mso-level-number-position:right;
812        text-indent:-9.0pt;}
813@list l0:level4
814        {mso-level-tab-stop:2.0in;
815        mso-level-number-position:left;
816        text-indent:-.25in;}
817@list l0:level5
818        {mso-level-tab-stop:2.5in;
819        mso-level-number-position:left;
820        text-indent:-.25in;}
821@list l0:level6
822        {mso-level-tab-stop:3.0in;
823        mso-level-number-position:left;
824        text-indent:-.25in;}
825@list l0:level7
826        {mso-level-tab-stop:3.5in;
827        mso-level-number-position:left;
828        text-indent:-.25in;}
829@list l0:level8
830        {mso-level-tab-stop:4.0in;
831        mso-level-number-position:left;
832        text-indent:-.25in;}
833@list l0:level9
834        {mso-level-tab-stop:4.5in;
835        mso-level-number-position:left;
836        text-indent:-.25in;}
837@list l1
838        {mso-list-id:203979460;
839        mso-list-template-ids:88359672;}
840@list l1:level1
841        {mso-level-number-format:bullet;
842        mso-level-text:\F0B7;
843        mso-level-tab-stop:.5in;
844        mso-level-number-position:left;
845        text-indent:-.25in;
846        mso-ansi-font-size:10.0pt;
847        font-family:Symbol;}
848@list l1:level2
849        {mso-level-tab-stop:1.0in;
850        mso-level-number-position:left;
851        text-indent:-.25in;}
852@list l1:level3
853        {mso-level-tab-stop:1.5in;
854        mso-level-number-position:left;
855        text-indent:-.25in;}
856@list l1:level4
857        {mso-level-tab-stop:2.0in;
858        mso-level-number-position:left;
859        text-indent:-.25in;}
860@list l1:level5
861        {mso-level-tab-stop:2.5in;
862        mso-level-number-position:left;
863        text-indent:-.25in;}
864@list l1:level6
865        {mso-level-tab-stop:3.0in;
866        mso-level-number-position:left;
867        text-indent:-.25in;}
868@list l1:level7
869        {mso-level-tab-stop:3.5in;
870        mso-level-number-position:left;
871        text-indent:-.25in;}
872@list l1:level8
873        {mso-level-tab-stop:4.0in;
874        mso-level-number-position:left;
875        text-indent:-.25in;}
876@list l1:level9
877        {mso-level-tab-stop:4.5in;
878        mso-level-number-position:left;
879        text-indent:-.25in;}
880@list l2
881        {mso-list-id:268514595;
882        mso-list-type:hybrid;
883        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
884@list l2:level1
885        {mso-level-number-format:alpha-lower;
886        mso-level-tab-stop:none;
887        mso-level-number-position:left;
888        margin-left:1.0in;
889        text-indent:-.25in;
890        mso-ansi-font-weight:normal;}
891@list l2:level2
892        {mso-level-tab-stop:1.0in;
893        mso-level-number-position:left;
894        text-indent:-.25in;}
895@list l2:level3
896        {mso-level-tab-stop:112.5pt;
897        mso-level-number-position:left;
898        margin-left:112.5pt;
899        text-indent:-.25in;}
900@list l2:level4
901        {mso-level-tab-stop:2.0in;
902        mso-level-number-position:left;
903        text-indent:-.25in;}
904@list l2:level5
905        {mso-level-tab-stop:2.5in;
906        mso-level-number-position:left;
907        text-indent:-.25in;}
908@list l2:level6
909        {mso-level-tab-stop:3.0in;
910        mso-level-number-position:left;
911        text-indent:-.25in;}
912@list l2:level7
913        {mso-level-tab-stop:3.5in;
914        mso-level-number-position:left;
915        text-indent:-.25in;}
916@list l2:level8
917        {mso-level-tab-stop:4.0in;
918        mso-level-number-position:left;
919        text-indent:-.25in;}
920@list l2:level9
921        {mso-level-tab-stop:4.5in;
922        mso-level-number-position:left;
923        text-indent:-.25in;}
924@list l3
925        {mso-list-id:301277244;
926        mso-list-template-ids:-445226636;}
927@list l3:level1
928        {mso-level-tab-stop:none;
929        mso-level-number-position:left;
930        text-indent:-.25in;}
931@list l3:level2
932        {mso-level-number-format:alpha-lower;
933        mso-level-tab-stop:1.0in;
934        mso-level-number-position:left;
935        text-indent:-.25in;}
936@list l3:level3
937        {mso-level-tab-stop:1.5in;
938        mso-level-number-position:left;
939        text-indent:-.25in;}
940@list l3:level4
941        {mso-level-number-format:alpha-lower;
942        mso-level-tab-stop:2.0in;
943        mso-level-number-position:left;
944        text-indent:-.25in;}
945@list l3:level5
946        {mso-level-tab-stop:2.5in;
947        mso-level-number-position:left;
948        text-indent:-.25in;}
949@list l3:level6
950        {mso-level-tab-stop:3.0in;
951        mso-level-number-position:left;
952        text-indent:-.25in;}
953@list l3:level7
954        {mso-level-tab-stop:3.5in;
955        mso-level-number-position:left;
956        text-indent:-.25in;}
957@list l3:level8
958        {mso-level-tab-stop:4.0in;
959        mso-level-number-position:left;
960        text-indent:-.25in;}
961@list l3:level9
962        {mso-level-tab-stop:4.5in;
963        mso-level-number-position:left;
964        text-indent:-.25in;}
965@list l4
966        {mso-list-id:424421782;
967        mso-list-template-ids:-445226636;}
968@list l4:level1
969        {mso-level-tab-stop:none;
970        mso-level-number-position:left;
971        text-indent:-.25in;}
972@list l4:level2
973        {mso-level-number-format:alpha-lower;
974        mso-level-tab-stop:1.0in;
975        mso-level-number-position:left;
976        text-indent:-.25in;}
977@list l4:level3
978        {mso-level-tab-stop:1.5in;
979        mso-level-number-position:left;
980        text-indent:-.25in;}
981@list l4:level4
982        {mso-level-number-format:alpha-lower;
983        mso-level-tab-stop:2.0in;
984        mso-level-number-position:left;
985        text-indent:-.25in;}
986@list l4:level5
987        {mso-level-tab-stop:2.5in;
988        mso-level-number-position:left;
989        text-indent:-.25in;}
990@list l4:level6
991        {mso-level-tab-stop:3.0in;
992        mso-level-number-position:left;
993        text-indent:-.25in;}
994@list l4:level7
995        {mso-level-tab-stop:3.5in;
996        mso-level-number-position:left;
997        text-indent:-.25in;}
998@list l4:level8
999        {mso-level-tab-stop:4.0in;
1000        mso-level-number-position:left;
1001        text-indent:-.25in;}
1002@list l4:level9
1003        {mso-level-tab-stop:4.5in;
1004        mso-level-number-position:left;
1005        text-indent:-.25in;}
1006@list l5
1007        {mso-list-id:617220658;
1008        mso-list-type:hybrid;
1009        mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1010@list l5:level1
1011        {mso-level-tab-stop:none;
1012        mso-level-number-position:left;
1013        text-indent:-.25in;}
1014@list l5:level2
1015        {mso-level-tab-stop:1.0in;
1016        mso-level-number-position:left;
1017        text-indent:-.25in;}
1018@list l5:level3
1019        {mso-level-tab-stop:1.5in;
1020        mso-level-number-position:left;
1021        text-indent:-.25in;}
1022@list l5:level4
1023        {mso-level-tab-stop:2.0in;
1024        mso-level-number-position:left;
1025        text-indent:-.25in;}
1026@list l5:level5
1027        {mso-level-tab-stop:2.5in;
1028        mso-level-number-position:left;
1029        text-indent:-.25in;}
1030@list l5:level6
1031        {mso-level-tab-stop:3.0in;
1032        mso-level-number-position:left;
1033        text-indent:-.25in;}
1034@list l5:level7
1035        {mso-level-tab-stop:3.5in;
1036        mso-level-number-position:left;
1037        text-indent:-.25in;}
1038@list l5:level8
1039        {mso-level-tab-stop:4.0in;
1040        mso-level-number-position:left;
1041        text-indent:-.25in;}
1042@list l5:level9
1043        {mso-level-tab-stop:4.5in;
1044        mso-level-number-position:left;
1045        text-indent:-.25in;}
1046@list l6
1047        {mso-list-id:649361966;
1048        mso-list-template-ids:326264828;}
1049@list l6:level1
1050        {mso-level-tab-stop:none;
1051        mso-level-number-position:left;
1052        text-indent:-.25in;}
1053@list l6:level2
1054        {mso-level-number-format:alpha-lower;
1055        mso-level-tab-stop:1.0in;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;
1058        mso-ansi-font-size:12.0pt;
1059        font-family:"Times New Roman","serif";
1060        mso-ansi-font-weight:normal;
1061        mso-ansi-font-style:normal;}
1062@list l6:level3
1063        {mso-level-tab-stop:1.5in;
1064        mso-level-number-position:left;
1065        text-indent:-.25in;}
1066@list l6:level4
1067        {mso-level-number-format:alpha-lower;
1068        mso-level-tab-stop:2.0in;
1069        mso-level-number-position:left;
1070        text-indent:-.25in;}
1071@list l6:level5
1072        {mso-level-tab-stop:2.5in;
1073        mso-level-number-position:left;
1074        text-indent:-.25in;}
1075@list l6:level6
1076        {mso-level-tab-stop:3.0in;
1077        mso-level-number-position:left;
1078        text-indent:-.25in;}
1079@list l6:level7
1080        {mso-level-tab-stop:3.5in;
1081        mso-level-number-position:left;
1082        text-indent:-.25in;}
1083@list l6:level8
1084        {mso-level-tab-stop:4.0in;
1085        mso-level-number-position:left;
1086        text-indent:-.25in;}
1087@list l6:level9
1088        {mso-level-tab-stop:4.5in;
1089        mso-level-number-position:left;
1090        text-indent:-.25in;}
1091@list l7
1092        {mso-list-id:656106218;
1093        mso-list-type:hybrid;
1094        mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1095@list l7:level1
1096        {mso-level-tab-stop:none;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l7:level2
1100        {mso-level-tab-stop:1.0in;
1101        mso-level-number-position:left;
1102        text-indent:-.25in;}
1103@list l7:level3
1104        {mso-level-tab-stop:1.5in;
1105        mso-level-number-position:left;
1106        text-indent:-.25in;}
1107@list l7:level4
1108        {mso-level-tab-stop:2.0in;
1109        mso-level-number-position:left;
1110        text-indent:-.25in;}
1111@list l7:level5
1112        {mso-level-tab-stop:2.5in;
1113        mso-level-number-position:left;
1114        text-indent:-.25in;}
1115@list l7:level6
1116        {mso-level-tab-stop:3.0in;
1117        mso-level-number-position:left;
1118        text-indent:-.25in;}
1119@list l7:level7
1120        {mso-level-tab-stop:3.5in;
1121        mso-level-number-position:left;
1122        text-indent:-.25in;}
1123@list l7:level8
1124        {mso-level-tab-stop:4.0in;
1125        mso-level-number-position:left;
1126        text-indent:-.25in;}
1127@list l7:level9
1128        {mso-level-tab-stop:4.5in;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l8
1132        {mso-list-id:734669460;
1133        mso-list-type:hybrid;
1134        mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1135@list l8:level1
1136        {mso-level-tab-stop:none;
1137        mso-level-number-position:left;
1138        text-indent:-.25in;}
1139@list l8:level2
1140        {mso-level-tab-stop:1.0in;
1141        mso-level-number-position:left;
1142        text-indent:-.25in;}
1143@list l8:level3
1144        {mso-level-tab-stop:1.5in;
1145        mso-level-number-position:left;
1146        text-indent:-.25in;}
1147@list l8:level4
1148        {mso-level-tab-stop:2.0in;
1149        mso-level-number-position:left;
1150        text-indent:-.25in;}
1151@list l8:level5
1152        {mso-level-tab-stop:2.5in;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l8:level6
1156        {mso-level-tab-stop:3.0in;
1157        mso-level-number-position:left;
1158        text-indent:-.25in;}
1159@list l8:level7
1160        {mso-level-tab-stop:3.5in;
1161        mso-level-number-position:left;
1162        text-indent:-.25in;}
1163@list l8:level8
1164        {mso-level-tab-stop:4.0in;
1165        mso-level-number-position:left;
1166        text-indent:-.25in;}
1167@list l8:level9
1168        {mso-level-tab-stop:4.5in;
1169        mso-level-number-position:left;
1170        text-indent:-.25in;}
1171@list l9
1172        {mso-list-id:742676264;
1173        mso-list-template-ids:326264828;}
1174@list l9:level1
1175        {mso-level-tab-stop:none;
1176        mso-level-number-position:left;
1177        text-indent:-.25in;}
1178@list l9:level2
1179        {mso-level-number-format:alpha-lower;
1180        mso-level-tab-stop:1.0in;
1181        mso-level-number-position:left;
1182        text-indent:-.25in;
1183        mso-ansi-font-size:12.0pt;
1184        font-family:"Times New Roman","serif";
1185        mso-ansi-font-weight:normal;
1186        mso-ansi-font-style:normal;}
1187@list l9:level3
1188        {mso-level-tab-stop:1.5in;
1189        mso-level-number-position:left;
1190        text-indent:-.25in;}
1191@list l9:level4
1192        {mso-level-number-format:alpha-lower;
1193        mso-level-tab-stop:2.0in;
1194        mso-level-number-position:left;
1195        text-indent:-.25in;}
1196@list l9:level5
1197        {mso-level-tab-stop:2.5in;
1198        mso-level-number-position:left;
1199        text-indent:-.25in;}
1200@list l9:level6
1201        {mso-level-tab-stop:3.0in;
1202        mso-level-number-position:left;
1203        text-indent:-.25in;}
1204@list l9:level7
1205        {mso-level-tab-stop:3.5in;
1206        mso-level-number-position:left;
1207        text-indent:-.25in;}
1208@list l9:level8
1209        {mso-level-tab-stop:4.0in;
1210        mso-level-number-position:left;
1211        text-indent:-.25in;}
1212@list l9:level9
1213        {mso-level-tab-stop:4.5in;
1214        mso-level-number-position:left;
1215        text-indent:-.25in;}
1216@list l10
1217        {mso-list-id:919948450;
1218        mso-list-type:hybrid;
1219        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1220@list l10:level1
1221        {mso-level-tab-stop:none;
1222        mso-level-number-position:left;
1223        text-indent:-.25in;}
1224@list l10:level2
1225        {mso-level-tab-stop:1.0in;
1226        mso-level-number-position:left;
1227        text-indent:-.25in;}
1228@list l10:level3
1229        {mso-level-tab-stop:1.5in;
1230        mso-level-number-position:left;
1231        text-indent:-.25in;}
1232@list l10:level4
1233        {mso-level-tab-stop:2.0in;
1234        mso-level-number-position:left;
1235        text-indent:-.25in;}
1236@list l10:level5
1237        {mso-level-tab-stop:2.5in;
1238        mso-level-number-position:left;
1239        text-indent:-.25in;}
1240@list l10:level6
1241        {mso-level-tab-stop:3.0in;
1242        mso-level-number-position:left;
1243        text-indent:-.25in;}
1244@list l10:level7
1245        {mso-level-tab-stop:3.5in;
1246        mso-level-number-position:left;
1247        text-indent:-.25in;}
1248@list l10:level8
1249        {mso-level-tab-stop:4.0in;
1250        mso-level-number-position:left;
1251        text-indent:-.25in;}
1252@list l10:level9
1253        {mso-level-tab-stop:4.5in;
1254        mso-level-number-position:left;
1255        text-indent:-.25in;}
1256@list l11
1257        {mso-list-id:1035230400;
1258        mso-list-type:hybrid;
1259        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1260@list l11:level1
1261        {mso-level-tab-stop:none;
1262        mso-level-number-position:left;
1263        text-indent:-.25in;}
1264@list l11:level2
1265        {mso-level-number-format:alpha-lower;
1266        mso-level-tab-stop:none;
1267        mso-level-number-position:left;
1268        text-indent:-.25in;}
1269@list l11:level3
1270        {mso-level-tab-stop:1.5in;
1271        mso-level-number-position:left;
1272        text-indent:-.25in;}
1273@list l11:level4
1274        {mso-level-tab-stop:2.0in;
1275        mso-level-number-position:left;
1276        text-indent:-.25in;}
1277@list l11:level5
1278        {mso-level-tab-stop:2.5in;
1279        mso-level-number-position:left;
1280        text-indent:-.25in;}
1281@list l11:level6
1282        {mso-level-tab-stop:3.0in;
1283        mso-level-number-position:left;
1284        text-indent:-.25in;}
1285@list l11:level7
1286        {mso-level-tab-stop:3.5in;
1287        mso-level-number-position:left;
1288        text-indent:-.25in;}
1289@list l11:level8
1290        {mso-level-tab-stop:4.0in;
1291        mso-level-number-position:left;
1292        text-indent:-.25in;}
1293@list l11:level9
1294        {mso-level-tab-stop:4.5in;
1295        mso-level-number-position:left;
1296        text-indent:-.25in;}
1297@list l12
1298        {mso-list-id:1074664733;
1299        mso-list-type:hybrid;
1300        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1301@list l12:level1
1302        {mso-level-number-format:alpha-lower;
1303        mso-level-tab-stop:none;
1304        mso-level-number-position:left;
1305        margin-left:1.0in;
1306        text-indent:-.25in;
1307        mso-ansi-font-weight:normal;}
1308@list l12:level2
1309        {mso-level-number-format:alpha-lower;
1310        mso-level-tab-stop:none;
1311        mso-level-number-position:left;
1312        text-indent:-.25in;}
1313@list l12:level3
1314        {mso-level-tab-stop:1.5in;
1315        mso-level-number-position:left;
1316        text-indent:-.25in;}
1317@list l12:level4
1318        {mso-level-tab-stop:2.0in;
1319        mso-level-number-position:left;
1320        text-indent:-.25in;}
1321@list l12:level5
1322        {mso-level-tab-stop:2.5in;
1323        mso-level-number-position:left;
1324        text-indent:-.25in;}
1325@list l12:level6
1326        {mso-level-tab-stop:3.0in;
1327        mso-level-number-position:left;
1328        text-indent:-.25in;}
1329@list l12:level7
1330        {mso-level-tab-stop:3.5in;
1331        mso-level-number-position:left;
1332        text-indent:-.25in;}
1333@list l12:level8
1334        {mso-level-tab-stop:4.0in;
1335        mso-level-number-position:left;
1336        text-indent:-.25in;}
1337@list l12:level9
1338        {mso-level-tab-stop:4.5in;
1339        mso-level-number-position:left;
1340        text-indent:-.25in;}
1341@list l13
1342        {mso-list-id:1162892763;
1343        mso-list-type:hybrid;
1344        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1345@list l13:level1
1346        {mso-level-number-format:alpha-lower;
1347        mso-level-tab-stop:none;
1348        mso-level-number-position:left;
1349        margin-left:1.0in;
1350        text-indent:-.25in;}
1351@list l13:level2
1352        {mso-level-tab-stop:1.0in;
1353        mso-level-number-position:left;
1354        text-indent:-.25in;}
1355@list l13:level3
1356        {mso-level-tab-stop:1.5in;
1357        mso-level-number-position:left;
1358        text-indent:-.25in;}
1359@list l13:level4
1360        {mso-level-tab-stop:2.0in;
1361        mso-level-number-position:left;
1362        text-indent:-.25in;}
1363@list l13:level5
1364        {mso-level-tab-stop:2.5in;
1365        mso-level-number-position:left;
1366        text-indent:-.25in;}
1367@list l13:level6
1368        {mso-level-tab-stop:3.0in;
1369        mso-level-number-position:left;
1370        text-indent:-.25in;}
1371@list l13:level7
1372        {mso-level-tab-stop:3.5in;
1373        mso-level-number-position:left;
1374        text-indent:-.25in;}
1375@list l13:level8
1376        {mso-level-tab-stop:4.0in;
1377        mso-level-number-position:left;
1378        text-indent:-.25in;}
1379@list l13:level9
1380        {mso-level-tab-stop:4.5in;
1381        mso-level-number-position:left;
1382        text-indent:-.25in;}
1383@list l14
1384        {mso-list-id:1323200535;
1385        mso-list-type:hybrid;
1386        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1387@list l14:level1
1388        {mso-level-number-format:alpha-lower;
1389        mso-level-tab-stop:none;
1390        mso-level-number-position:left;
1391        margin-left:1.0in;
1392        text-indent:-.25in;}
1393@list l14:level2
1394        {mso-level-tab-stop:1.0in;
1395        mso-level-number-position:left;
1396        text-indent:-.25in;}
1397@list l14:level3
1398        {mso-level-tab-stop:1.5in;
1399        mso-level-number-position:left;
1400        text-indent:-.25in;}
1401@list l14:level4
1402        {mso-level-tab-stop:2.0in;
1403        mso-level-number-position:left;
1404        text-indent:-.25in;}
1405@list l14:level5
1406        {mso-level-tab-stop:2.5in;
1407        mso-level-number-position:left;
1408        text-indent:-.25in;}
1409@list l14:level6
1410        {mso-level-tab-stop:3.0in;
1411        mso-level-number-position:left;
1412        text-indent:-.25in;}
1413@list l14:level7
1414        {mso-level-tab-stop:3.5in;
1415        mso-level-number-position:left;
1416        text-indent:-.25in;}
1417@list l14:level8
1418        {mso-level-tab-stop:4.0in;
1419        mso-level-number-position:left;
1420        text-indent:-.25in;}
1421@list l14:level9
1422        {mso-level-tab-stop:4.5in;
1423        mso-level-number-position:left;
1424        text-indent:-.25in;}
1425@list l15
1426        {mso-list-id:1326516832;
1427        mso-list-type:hybrid;
1428        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1429@list l15:level1
1430        {mso-level-tab-stop:none;
1431        mso-level-number-position:left;
1432        text-indent:-.25in;}
1433@list l15:level2
1434        {mso-level-tab-stop:1.0in;
1435        mso-level-number-position:left;
1436        text-indent:-.25in;}
1437@list l15:level3
1438        {mso-level-tab-stop:1.5in;
1439        mso-level-number-position:left;
1440        text-indent:-.25in;}
1441@list l15:level4
1442        {mso-level-tab-stop:2.0in;
1443        mso-level-number-position:left;
1444        text-indent:-.25in;}
1445@list l15:level5
1446        {mso-level-tab-stop:2.5in;
1447        mso-level-number-position:left;
1448        text-indent:-.25in;}
1449@list l15:level6
1450        {mso-level-tab-stop:3.0in;
1451        mso-level-number-position:left;
1452        text-indent:-.25in;}
1453@list l15:level7
1454        {mso-level-tab-stop:3.5in;
1455        mso-level-number-position:left;
1456        text-indent:-.25in;}
1457@list l15:level8
1458        {mso-level-tab-stop:4.0in;
1459        mso-level-number-position:left;
1460        text-indent:-.25in;}
1461@list l15:level9
1462        {mso-level-tab-stop:4.5in;
1463        mso-level-number-position:left;
1464        text-indent:-.25in;}
1465@list l16
1466        {mso-list-id:1394309879;
1467        mso-list-template-ids:326264828;}
1468@list l16:level1
1469        {mso-level-tab-stop:none;
1470        mso-level-number-position:left;
1471        text-indent:-.25in;}
1472@list l16:level2
1473        {mso-level-number-format:alpha-lower;
1474        mso-level-tab-stop:1.0in;
1475        mso-level-number-position:left;
1476        text-indent:-.25in;
1477        mso-ansi-font-size:12.0pt;
1478        font-family:"Times New Roman","serif";
1479        mso-ansi-font-weight:normal;
1480        mso-ansi-font-style:normal;}
1481@list l16:level3
1482        {mso-level-tab-stop:1.5in;
1483        mso-level-number-position:left;
1484        text-indent:-.25in;}
1485@list l16:level4
1486        {mso-level-number-format:alpha-lower;
1487        mso-level-tab-stop:2.0in;
1488        mso-level-number-position:left;
1489        text-indent:-.25in;}
1490@list l16:level5
1491        {mso-level-tab-stop:2.5in;
1492        mso-level-number-position:left;
1493        text-indent:-.25in;}
1494@list l16:level6
1495        {mso-level-tab-stop:3.0in;
1496        mso-level-number-position:left;
1497        text-indent:-.25in;}
1498@list l16:level7
1499        {mso-level-tab-stop:3.5in;
1500        mso-level-number-position:left;
1501        text-indent:-.25in;}
1502@list l16:level8
1503        {mso-level-tab-stop:4.0in;
1504        mso-level-number-position:left;
1505        text-indent:-.25in;}
1506@list l16:level9
1507        {mso-level-tab-stop:4.5in;
1508        mso-level-number-position:left;
1509        text-indent:-.25in;}
1510@list l17
1511        {mso-list-id:1602683002;
1512        mso-list-type:hybrid;
1513        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1514@list l17:level1
1515        {mso-level-tab-stop:none;
1516        mso-level-number-position:left;
1517        text-indent:-.25in;}
1518@list l17:level2
1519        {mso-level-number-format:alpha-lower;
1520        mso-level-tab-stop:none;
1521        mso-level-number-position:left;
1522        text-indent:-.25in;}
1523@list l17:level3
1524        {mso-level-tab-stop:1.5in;
1525        mso-level-number-position:left;
1526        text-indent:-.25in;}
1527@list l17:level4
1528        {mso-level-tab-stop:2.0in;
1529        mso-level-number-position:left;
1530        text-indent:-.25in;}
1531@list l17:level5
1532        {mso-level-tab-stop:2.5in;
1533        mso-level-number-position:left;
1534        text-indent:-.25in;}
1535@list l17:level6
1536        {mso-level-tab-stop:3.0in;
1537        mso-level-number-position:left;
1538        text-indent:-.25in;}
1539@list l17:level7
1540        {mso-level-tab-stop:3.5in;
1541        mso-level-number-position:left;
1542        text-indent:-.25in;}
1543@list l17:level8
1544        {mso-level-tab-stop:4.0in;
1545        mso-level-number-position:left;
1546        text-indent:-.25in;}
1547@list l17:level9
1548        {mso-level-tab-stop:4.5in;
1549        mso-level-number-position:left;
1550        text-indent:-.25in;}
1551@list l18
1552        {mso-list-id:1669404025;
1553        mso-list-type:hybrid;
1554        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1555@list l18:level1
1556        {mso-level-number-format:alpha-lower;
1557        mso-level-tab-stop:none;
1558        mso-level-number-position:left;
1559        margin-left:1.0in;
1560        text-indent:-.25in;
1561        mso-ansi-font-weight:normal;}
1562@list l18:level2
1563        {mso-level-tab-stop:1.0in;
1564        mso-level-number-position:left;
1565        text-indent:-.25in;}
1566@list l18:level3
1567        {mso-level-tab-stop:112.5pt;
1568        mso-level-number-position:left;
1569        margin-left:112.5pt;
1570        text-indent:-.25in;}
1571@list l18:level4
1572        {mso-level-tab-stop:2.0in;
1573        mso-level-number-position:left;
1574        text-indent:-.25in;}
1575@list l18:level5
1576        {mso-level-tab-stop:2.5in;
1577        mso-level-number-position:left;
1578        text-indent:-.25in;}
1579@list l18:level6
1580        {mso-level-tab-stop:3.0in;
1581        mso-level-number-position:left;
1582        text-indent:-.25in;}
1583@list l18:level7
1584        {mso-level-tab-stop:3.5in;
1585        mso-level-number-position:left;
1586        text-indent:-.25in;}
1587@list l18:level8
1588        {mso-level-tab-stop:4.0in;
1589        mso-level-number-position:left;
1590        text-indent:-.25in;}
1591@list l18:level9
1592        {mso-level-tab-stop:4.5in;
1593        mso-level-number-position:left;
1594        text-indent:-.25in;}
1595@list l19
1596        {mso-list-id:1753089587;
1597        mso-list-template-ids:1555050902;}
1598@list l19:level1
1599        {mso-level-tab-stop:none;
1600        mso-level-number-position:left;
1601        text-indent:-.25in;}
1602@list l19:level2
1603        {mso-level-tab-stop:1.0in;
1604        mso-level-number-position:left;
1605        text-indent:-.25in;}
1606@list l19:level3
1607        {mso-level-tab-stop:1.5in;
1608        mso-level-number-position:left;
1609        text-indent:-.25in;}
1610@list l19:level4
1611        {mso-level-tab-stop:2.0in;
1612        mso-level-number-position:left;
1613        text-indent:-.25in;}
1614@list l19:level5
1615        {mso-level-tab-stop:2.5in;
1616        mso-level-number-position:left;
1617        text-indent:-.25in;}
1618@list l19:level6
1619        {mso-level-tab-stop:3.0in;
1620        mso-level-number-position:left;
1621        text-indent:-.25in;}
1622@list l19:level7
1623        {mso-level-tab-stop:3.5in;
1624        mso-level-number-position:left;
1625        text-indent:-.25in;}
1626@list l19:level8
1627        {mso-level-tab-stop:4.0in;
1628        mso-level-number-position:left;
1629        text-indent:-.25in;}
1630@list l19:level9
1631        {mso-level-tab-stop:4.5in;
1632        mso-level-number-position:left;
1633        text-indent:-.25in;}
1634@list l20
1635        {mso-list-id:2029942403;
1636        mso-list-template-ids:1555050902;}
1637@list l20:level1
1638        {mso-level-tab-stop:none;
1639        mso-level-number-position:left;
1640        text-indent:-.25in;}
1641@list l20:level2
1642        {mso-level-tab-stop:1.0in;
1643        mso-level-number-position:left;
1644        text-indent:-.25in;}
1645@list l20:level3
1646        {mso-level-tab-stop:1.5in;
1647        mso-level-number-position:left;
1648        text-indent:-.25in;}
1649@list l20:level4
1650        {mso-level-tab-stop:2.0in;
1651        mso-level-number-position:left;
1652        text-indent:-.25in;}
1653@list l20:level5
1654        {mso-level-tab-stop:2.5in;
1655        mso-level-number-position:left;
1656        text-indent:-.25in;}
1657@list l20:level6
1658        {mso-level-tab-stop:3.0in;
1659        mso-level-number-position:left;
1660        text-indent:-.25in;}
1661@list l20:level7
1662        {mso-level-tab-stop:3.5in;
1663        mso-level-number-position:left;
1664        text-indent:-.25in;}
1665@list l20:level8
1666        {mso-level-tab-stop:4.0in;
1667        mso-level-number-position:left;
1668        text-indent:-.25in;}
1669@list l20:level9
1670        {mso-level-tab-stop:4.5in;
1671        mso-level-number-position:left;
1672        text-indent:-.25in;}
1673@list l21
1674        {mso-list-id:2095858496;
1675        mso-list-type:hybrid;
1676        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1677@list l21:level1
1678        {mso-level-tab-stop:none;
1679        mso-level-number-position:left;
1680        text-indent:-.25in;}
1681@list l21:level2
1682        {mso-level-tab-stop:1.0in;
1683        mso-level-number-position:left;
1684        text-indent:-.25in;}
1685@list l21:level3
1686        {mso-level-tab-stop:1.5in;
1687        mso-level-number-position:left;
1688        text-indent:-.25in;}
1689@list l21:level4
1690        {mso-level-tab-stop:2.0in;
1691        mso-level-number-position:left;
1692        text-indent:-.25in;}
1693@list l21:level5
1694        {mso-level-tab-stop:2.5in;
1695        mso-level-number-position:left;
1696        text-indent:-.25in;}
1697@list l21:level6
1698        {mso-level-tab-stop:3.0in;
1699        mso-level-number-position:left;
1700        text-indent:-.25in;}
1701@list l21:level7
1702        {mso-level-tab-stop:3.5in;
1703        mso-level-number-position:left;
1704        text-indent:-.25in;}
1705@list l21:level8
1706        {mso-level-tab-stop:4.0in;
1707        mso-level-number-position:left;
1708        text-indent:-.25in;}
1709@list l21:level9
1710        {mso-level-tab-stop:4.5in;
1711        mso-level-number-position:left;
1712        text-indent:-.25in;}
1713@list l22
1714        {mso-list-id:2114591880;
1715        mso-list-template-ids:-445226636;}
1716@list l22:level1
1717        {mso-level-tab-stop:none;
1718        mso-level-number-position:left;
1719        text-indent:-.25in;}
1720@list l22:level2
1721        {mso-level-number-format:alpha-lower;
1722        mso-level-tab-stop:1.0in;
1723        mso-level-number-position:left;
1724        text-indent:-.25in;}
1725@list l22:level3
1726        {mso-level-tab-stop:1.5in;
1727        mso-level-number-position:left;
1728        text-indent:-.25in;}
1729@list l22:level4
1730        {mso-level-number-format:alpha-lower;
1731        mso-level-tab-stop:2.0in;
1732        mso-level-number-position:left;
1733        text-indent:-.25in;}
1734@list l22:level5
1735        {mso-level-tab-stop:2.5in;
1736        mso-level-number-position:left;
1737        text-indent:-.25in;}
1738@list l22:level6
1739        {mso-level-tab-stop:3.0in;
1740        mso-level-number-position:left;
1741        text-indent:-.25in;}
1742@list l22:level7
1743        {mso-level-tab-stop:3.5in;
1744        mso-level-number-position:left;
1745        text-indent:-.25in;}
1746@list l22:level8
1747        {mso-level-tab-stop:4.0in;
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1785</head>
1786
1787<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1788
1789<div class=WordSection1>
1790
1791<h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600"
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1811</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
1812 alt="Description: Description: GSAS-II logo" style='position:absolute;
1813 margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;z-index:251657728;
1814 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
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1816 mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
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1818 mso-position-vertical:absolute;mso-position-vertical-relative:line;
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1820 mso-height-relative:page' o:allowoverlap="f">
1821 <v:imagedata src="gsas2logo.png"/>
1822 <w:wrap type="square" anchory="line"/>
1823</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
1824align=right alt="Description: Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
1825style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
1826
1827<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1828is where to find help on various GSAS-II windows and plots. Note that GSAS-II
1829operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a>
1830window, which provides a hierarchical view of the current project; the <a
1831href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of
1832a particular section of the project, where values can be examined and changed;
1833the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical
1834representations of the results; and the console which has printout information
1835that can be selected, cut &amp; pasted into a document. <o:p></o:p></span></p>
1836
1837<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
1838
1839<h2><strong>GSAS-II tutorials:<o:p></o:p></strong></h2>
1840
1841<p class=MsoNormal><strong><a href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span
1842style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p>
1843
1844<p class=MsoNormal><strong><a
1845href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span
1846style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p>
1847
1848<p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight:
1849normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p>
1850
1851<p class=MsoNormal><strong>Powder pattern Rietveld refinement (future)<o:p></o:p></strong></p>
1852
1853<p class=MsoNormal><strong>Crystal structure drawing (future)<o:p></o:p></strong></p>
1854
1855<p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p>
1856
1857<p class=MsoNormal><strong>Charge flipping structure solution(future)<o:p></o:p></strong></p>
1858
1859<p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p>
1860
1861<div class=MsoNormal align=center style='text-align:center'><span
1862style='mso-fareast-font-family:"Times New Roman"'>
1863
1864<hr size=2 width="100%" align=center>
1865
1866</span></div>
1867
1868<div class=MsoNormal align=center style='text-align:center'><span
1869style='mso-fareast-font-family:"Times New Roman"'>
1870
1871<hr size=2 width="100%" align=center>
1872
1873</span></div>
1874
1875<h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1.
1876GSAS-II data tree<o:p></o:p></span></h2>
1877
1878<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
1879is a hierarchical view of the data items in your GSAS-II project (name.gpx).
1880Clicking on any item in the tree opens a window where information in that item
1881can be viewed or edited. For example, the <a href="#Sample_Parameters">&quot;Sample
1882Parameters&quot;</a> item under a &#8216;PWDR&#8217; entry contains information
1883about how data were collected, such as the sample temperature <a
1884href="#Sample_Parameters">(see below)</a>. The arrow keys (up &amp; down) move
1885the selection to successive entries in the data tree; both the data window and
1886the associated plot (if any) will change.<o:p></o:p></span></p>
1887
1888<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
1889
1890<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
1891menus associated with this window provide access to many features of GSAS-II,
1892as outlined below: <o:p></o:p></span></p>
1893
1894<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
1895style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1896style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1897&#8216;<b style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; </p>
1898
1899<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1900auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1901style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1902style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1903style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
1904saved GSAS-II project file (name.gpx). If you currently have a project file
1905open, you are asked if it is OK to over write it; Cancel will cancel the
1906process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
1907class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
1908of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
1909to e.g. name.gpx to overwrite the current version. Otherwise you may get
1910backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p>
1911
1912<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1913auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1914style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1915style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1916style='mso-bidi-font-weight:normal'>Save project</b> &#8211; Save the current
1917project. If a file name is shown after &#8216;Loaded Data:&#8217; in the data
1918tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved
1919there. Otherwise, you will be prompted for a new name in a file dialog (you may
1920change directory as well). If the file exists, you will be asked if it OK to
1921overwrite.</span></p>
1922
1923<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1924auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1925style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1926style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1927style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
1928As&#8230;</span></b><span style='mso-fareast-font-family:"Times New Roman"'> -
1929Save the current project to a new file. A file dialog will be shown to enter
1930the name (and change directory if desired). If the file exists, you will be
1931asked if it OK to overwrite.</span></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'>d.<span
1936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1937style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close
1938project</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
1939&#8211; Close the current project; you will be asked if you want to save it
1940first.</span></p>
1941
1942<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1943auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1944style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
1945style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1946style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span
1947style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
1948program; if there is a current project you will be asked if you want to save it
1949first. Pressing the red X in the upper right (Windows) also exits (no save option)
1950GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
1951
1952<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
1953style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1954style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
1955&#8216;<b style='mso-bidi-font-weight:normal'>Data</b>&#8217; &#8211; </p>
1956
1957<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1958auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1959style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
1960style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1961style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
1962powder diffraction patterns (multiple patterns can be selected). GSAS-II can
1963read most of the old GSAS powder format files with the position in <span
1964class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
1965class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
1966where the position is in degrees 2-theta. As each file is read, an old GSAS
1967style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
1968class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
1969data set is assumed. </p>
1970
1971<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1972auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1973style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
1974style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1975style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
1976powder diffraction images (multiple patterns can be selected). GSAS-II can read
1977many different image file formats including MAR345 files, Quantum ADSC files,
1978and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
1979formats have data fields that should contain relevant information for the
1980exposure (e.g. wavelength), these are rarely filled in correctly by the data
1981acquisition software. Thus, you should have separately noted this information
1982as it will be needed</p>
1983
1984<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1985auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1986style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
1987style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1988style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks&#8230;</b> - Read
1989in a list of powder pattern peak positions as either a d-spacing table or a set
1990of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in
1991GSAS-II powder pattern indexing. </p>
1992
1993<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
1994auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
1995style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
1996style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
1997style='mso-bidi-font-weight:normal'>Read single crystal data&#8230;</b> - </p>
1998
1999<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2000auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2001style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2002style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2003style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p>
2004
2005<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2006auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2007style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2008style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2009style='mso-bidi-font-weight:normal'>Sum image data</b> - </p>
2010
2011<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2012auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2013style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
2014style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2015style='mso-bidi-font-weight:normal'>Add phase</b> &#8211; This begins the
2016creation of a new phase in the data tree (under Phases). You are first prompted
2017in a dialog box for a name to be assigned to the new phase. Then the <b
2018style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is
2019opened for this phase; you should first select the phase type, enter the space
2020group symbol and then lattice parameters. Note that nonstandard space group
2021symbols are permitted; there must be spaces between the axial fields (e.g. use
2022&#8216;P n a 21&#8217; not &#8216;Pna21&#8217;).</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'>h.<span
2027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2028style='mso-bidi-font-weight:normal'>Delete phase</b> &#8211; This will remove a
2029phase from the data tree. A dialog box will present the list of phases; pick
2030one (or more) to delete.</p>
2031
2032<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2033auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2034style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
2035style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2036</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename
2037data</b> &#8211; This might be a bad idea!!</p>
2038
2039<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2040auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2041style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
2042style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2043</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
2044data</b> &#8211; This will remove an item from the data tree. A dialog box with
2045a list of choices is presented.</p>
2046
2047<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2048style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2049style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2050&#8216;<b style='mso-bidi-font-weight:normal'>Calculate</b>&#8217; &#8211; </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'>a.<span
2055style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2056style='mso-bidi-font-weight:normal'>Make new PDFs</b> &#8211; This creates the
2057pair distribution function (PDF) controls for each powder pattern selected in
2058the dialog box. See <b style='mso-bidi-font-weight:normal'><span
2059style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
2060Controls</a></span></b> for further directions.</p>
2061
2062<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2063auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2064style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2065style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2066style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
2067&#8211; This shows a dialog box with all the parameters for your project; those
2068to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
2069Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
2070The total number of refined parameters is also shown at the top of the list.
2071The value of each parameter is also given. The parameter names are of the form
2072&#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
2073phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
2074item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
2075that for atom positions the value is not a <span class=SpellE>refinable</span>
2076parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
2077class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
2078atom in the <span class=SpellE>zeroth</span> phase while shift names have a
2079&#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
2080
2081<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2082auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2083style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2084style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2085style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the refinement
2086(Pawley/Rietveld or single crystal) according to the controls set in the <b
2087style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> data
2088tree item.</p>
2089
2090<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2091auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2092style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2093style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2094style='mso-bidi-font-weight:normal'>Sequential refine</b> &#8211; This starts a
2095sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight:
2096normal'><a href="#Controls">Controls</a></b> data tree item.</p>
2097
2098<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2099style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2100style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2101&#8216;<b style='mso-bidi-font-weight:normal'>Import</b>&#8217; &#8211; </p>
2102
2103<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2104auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2105style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2106style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2107style='mso-bidi-font-weight:normal'>Import Phase (specific) - </b></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'>1.<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.EXP&#8230; - </b>This
2114reads one phase from a GSAS experiment file (name.EXP). The file name is found
2115in a directory dialog; you can change directories as needed. Only .EXP (or
2116.exp) file names are shown. If the selected file has more than one phase, a
2117dialog is shown with the choices; only one can be chosen. If you want more than
2118one, redo the <b style='mso-bidi-font-weight:normal'>Import Phase GSAS.EXP</b>
2119command. After selecting a phase, a dialog box is shown with the proposed phase
2120name. You can change it if desired.</p>
2121
2122<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2123auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2124style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2125style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2126style='mso-bidi-font-weight:normal'>Import Phase PDB&#8230;</b> - This reads
2127the macromolecular phase information from a Protein Data Base file (name.PDB or
2128name.ENT). The file name is found in a directory dialog; you can change
2129directories as needed. Only .PDB or .ENT file names are shown. Be careful that
2130the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
2131follows the GSAS-II conventions (e.g. with spaces between axial fields). A
2132dialog box is shown with the proposed phase name. You can change it if desired.</p>
2133
2134<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2135auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2136style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2137style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2138style='mso-bidi-font-weight:normal'>Import Phase CIF&#8230;</b> This reads one
2139phase from a Crystallographic Information File (name.CIF). The file name is
2140found in a directory dialog; you can change directories as needed. Only .CIF
2141(or .<span class=SpellE>cif</span>) file names are shown. If the selected file
2142has more than one phase, a dialog is shown with the choices; only one can be
2143chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2144normal'>Import Phase CIF</b> command. After selecting a phase, a dialog box is
2145shown with the proposed phase name. You can change it if desired.</p>
2146
2147<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
2148auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
2149style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2150style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2151style='mso-bidi-font-weight:normal'>Import Phase GSAS-II <span class=SpellE>gpx</span>&#8230;</b>
2152This reads one phase from a GSAS-II project file (name.GPX). The file name is
2153found in a directory dialog; you can change directories as needed. Only .GPX
2154(or .<span class=SpellE>gpx</span>) file names are shown. If the selected file
2155has more than one phase, a dialog is shown with the choices; only one can be
2156chosen. If you want more than one, redo the <b style='mso-bidi-font-weight:
2157normal'>Import Phase GSAS-II <span class=SpellE>gpx</span></b> command. After
2158selecting a phase, a dialog box is shown with the proposed phase name. You can
2159change it if desired.</p>
2160
2161<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2162auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2163style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2164style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2165style='mso-bidi-font-weight:normal'>Import Powder Pattern&#8230;</b> - </p>
2166
2167<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2168auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2169style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2170style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2171style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
2172
2173<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
2174style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2175style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
2176&#8216;<b style='mso-bidi-font-weight:normal'>Export</b>&#8217; &#8211;</p>
2177
2178<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2179auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2180style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2181style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2182style='mso-bidi-font-weight:normal'>Export Powder Patterns&#8230;</b> - </p>
2183
2184<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2185auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2186style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2187style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2188style='mso-bidi-font-weight:normal'>Export All Peak Lists&#8230;</b> - </p>
2189
2190<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2191auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2192style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2193style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2194style='mso-bidi-font-weight:normal'>Export HKLs&#8230;</b> - </p>
2195
2196<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2197auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2198style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2199style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2200style='mso-bidi-font-weight:normal'>Export PDF&#8230;</b> - </p>
2201
2202<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2203auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2204style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2205style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2206style='mso-bidi-font-weight:normal'>Export Phase&#8230;</b> - </p>
2207
2208<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2209text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
2210style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2211style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2212style='mso-bidi-font-weight:normal'>Export CIF&#8230;</b> - </p>
2213
2214<div class=MsoNormal align=center style='text-align:center'><span
2215style='mso-fareast-font-family:"Times New Roman"'>
2216
2217<hr size=2 width="100%" align=center>
2218
2219</span></div>
2220
2221<div class=MsoNormal align=center style='text-align:center'><span
2222style='mso-fareast-font-family:"Times New Roman"'>
2223
2224<hr size=2 width="100%" align=center>
2225
2226</span></div>
2227
2228<h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2.
2229GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family:
2230"Times New Roman"'><o:p></o:p></span></h2>
2231
2232<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different
2233information is displayed in the Data Editing Window, depending on which section
2234of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on
2235the &quot;Notebook&quot; entry of the tree brings up the Notebook editing
2236window described below. <o:p></o:p></span></p>
2237
2238<h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span
2239style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2240
2241<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2242window provides a place for you to enter whatever text commentary you wish.
2243Each time you enter this window, a date/time entry is provided for you. A
2244possibly useful technique is to select a portion of the console window after a
2245refinement completes (it will contain refinement results with residuals, new
2246values &amp; <span class=SpellE>esds</span>) and paste it into this Notebook
2247window so it becomes a part of your project file.<o:p></o:p></span></p>
2248
2249<h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span
2250style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2251
2252<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2253window provides the main controls for the major calculations in GSAS-II. At
2254present only Refinement Controls are presented. <o:p></o:p></span></p>
2255
2256<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
2257of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
2258MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2259algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
2260package and a third one is a python version utilizing only the <span
2261class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
2262the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
2263nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
2264algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
2265routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
2266Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span>
2267J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The
2268python/numpy version was developed by us based on the material in Numerical
2269Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span>
2270&amp; <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt
2271algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
2272
2273<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2274
2275<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2276style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2277style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2278style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
2279uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
2280Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
2281perhaps a bit less accurate, but may be needed if the analytic functions are
2282not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
2283x M (parameters x observations) and is much larger than the Hessian matrix
2284which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
2285Hessian&#8217; for routine work.<o:p></o:p></span></p>
2286
2287<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2288style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2289style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2290style='mso-fareast-font-family:"Times New Roman"'>Select &#8216;Min
2291delta-M/M&#8217; for convergence; the refinement will stop when the change in
2292the minimization function is less than this value. Set Min delta-M/M = 1.0 to
2293force just a single cycle to be performed. A value less than 10<sup>-4</sup>
2294(the default) generally gives no better result. The allowed range is 10<sup>-9</sup>
2295to 1.0.<o:p></o:p></span></p>
2296
2297<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2298style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2299style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2300style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2301Jacobean&#8217; is chosen then select &#8216;Initial shift factor&#8217; for
2302the first cycle of refinement. This value is modified by the least squares
2303routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
2304needed if your initial <span class=GramE>refinement</span> trials immediately diverge,
2305however make sure your starting parameter values are &#8216;reasonable&#8217;.
2306The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p>
2307
2308<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2309style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2310style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2311style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
2312Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
2313number of least squares cycles to be performed. Least squares cycles are
2314determined by the number of times a new Hessian matrix is computes; the <span
2315class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
2316several times between cycles as it finds the optimal value of the Marquardt
2317coefficient. Choices are given in the pull down selection; the default is 3
2318cycles.<o:p></o:p></span></p>
2319
2320<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
2321style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<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"'>Select data for sequential
2324refinement; the data sets may be done in &#8216;reverse order&#8217;. <o:p></o:p></span></p>
2325
2326<h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2327
2328<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2329window is blank; the GSASII Plots window &#8216;<a href="#Covariance">Covariance&#8217;</a>
2330shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p>
2331
2332<h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4>
2333
2334<span style='mso-bookmark:Constraints'></span>
2335
2336<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2337window shows the constraints to be used in a refinement. It is organized into
2338three tabbed pages. &#8216;Phase constraints&#8217; contain those involving
2339parameters that describe aspects of the crystalline phases to be used in the
2340refinement (e.g. atom coordinates, thermal motion and site fraction
2341parameters). &#8216;Histogram/Phase constraints&#8217; are those which describe
2342aspects of the pattern that depend on both the phase and the data set used in
2343the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family:
2344"Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain
2345and crystallite size parameters). &#8216;Histogram constraints&#8217; are those
2346that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span>
2347and Y).<o:p></o:p></span></p>
2348
2349<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2350
2351<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2352style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2353style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2354style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the
2355parameter types you wish to constrain. Each will have the same possibilities in
2356the &#8216;Edit menu.<o:p></o:p></span></p>
2357
2358<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
2359style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2360style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2361style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2362style='mso-bidi-font-weight:normal'>Edit</b>&#8217; &#8211; <o:p></o:p></span></p>
2363
2364<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2365auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2366style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2367style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2368class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
2369"Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span
2370style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span
2371style='mso-fareast-font-family:"Times New Roman"'> &#8211; select a parameter
2372that you wish to remain fixed although other parameters of the same type may be
2373selected as a group for refinement. For example, if the space group for a phase
2374has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
2375is arbitrary and should be selected for a Hold to keep the structure from
2376drifting up or down the y-axis during refinement. If selected, a dialog box
2377will appear showing the list of available parameters; select one and then OK to
2378implement it, Cancel will cancel the operation. The held parameter will be
2379shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
2380button can be used to remove it.<o:p></o:p></span></p>
2381
2382<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2383auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2384style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2385style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2386style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2387equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2388&#8211; select a list of parameters that should have the same value (possibly
2389with a non-unitary multiplier for some). Examples are a list of atoms with the
2390same thermal motion <span class=SpellE>Uiso</span>, sets of profile
2391coefficients U<span class=GramE>,V,W</span> across multiple data sets. If
2392selected, a dialog box will appear with a list of the available parameters.
2393Select one and press OK; a second dialog box will appear with only those
2394parameters that can be made equivalent to the first one. Choose those and press
2395OK. Cancel in either dialog will cancel the operation. The equivalenced
2396parameters 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;
2397usually M1=1.0 and M2=-1.0, but can be changed via the &#8216;Edit&#8217;
2398button. The keyword &#8216;EQUIV&#8217; marks it as <span class=GramE>an
2399equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p>
2400
2401<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2402auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2403style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2404style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2405style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2406constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2407&#8211; select a list of parameters whose sum (with possible non-unitary
2408multipliers) is fixed. For example, the sum of site fractions for atoms on the
2409same site could be fixed to unity. If selected, a dialog box will appear with a
2410list of the available parameters. Select one and press OK; a second dialog box
2411will appear with only those parameters that can be used in a constraint with
2412the first one. Choose those and press OK. Cancel in either dialog will cancel
2413the operation. The equivalenced parameters will show as an equation of the form
2414M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+&#8230;=C; the
2415multipliers M1, <span class=GramE>M2, &#8230;</span> and C can be changed via
2416the &#8216;Edit&#8217; button. The keyword &#8216;CONSTR&#8217; marks it as a
2417constraint. A Delete button can be used to remove it.<o:p></o:p></span></p>
2418
2419<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2420text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
2421style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2422style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2423style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add
2424function</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2425&#8211; this is very similar the &#8220;Add constraint&#8221; type except that
2426the result of the sum can be varied in the refinement. The keyword
2427&#8216;FUNCT&#8217; marks it as a function; the &#8216;Refine?&#8217; box
2428indicates your choice to refine the result of the sum. A Delete button can be
2429used to remove it.<o:p></o:p></span></p>
2430
2431<h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span
2432style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2433
2434<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2435window is empty<o:p></o:p></span></p>
2436
2437<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2438
2439<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing
2440just yet<o:p></o:p></span></p>
2441
2442<h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span
2443style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4>
2444
2445<p class=MsoNormal>In this window is tabulated the results of your sequential
2446refinement. The columns are the parameter names; the naming convention is
2447&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
2448h is the histogram number, name is the parameter name, and num (if needed) is
2449the item number (e.g. atom number). The rows are the data sets used in the
2450sequential refinement.</p>
2451
2452<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2453
2454<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
2455
2456<h3>Histograms</h3>
2457
2458<p class=MsoNormal>These are shown in the data tree with a prefix of
2459&#8216;PWDR&#8217;, &#8217;HKLF&#8217;, &#8216;IMG&#8217;, &#8216;PDF&#8217; or
2460&#8216;XXXX&#8217; (future &#8211; restraints??) and usually a file name. These
2461constitute the data sets (&#8216;Histograms&#8217;) to be used by GSAS-II for
2462analysis. Selection of these items does not produce any information in the data
2463window but does display the data in the Plots Window. They are described below.</p>
2464
2465<h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3>
2466
2467<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
2468a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
2469href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
2470tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
2471variety of subcategories in the tree are shown. The items that are shown depend
2472on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
2473
2474<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
2475style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
2476
2477<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
2478style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
2479"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2480</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu
2481&#8216;<b style='mso-bidi-font-weight:normal'>Analysis</b>&#8217; &#8211; <o:p></o:p></span></span></p>
2482
2483<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2484text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
2485style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2486style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2487style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span
2488style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>
2489&#8211; this produces a &#8216;normal probability&#8217; plot for the refinement
2490result as bounded by the limits. The slope and intercept of the curve in the
2491central region (-1 &lt; </span></span><span style='mso-bookmark:Comments'><span
2492style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span
2493style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span
2494style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family:
2495"Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span
2496style='mso-fareast-font-family:"Times New Roman"'> &lt; 1) are shown on the
2497plot status line. The slope is the square root of GOF for the best fit set of
2498data points (~68% of the data).<o:p></o:p></span></span></p>
2499
2500<h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4>
2501
2502<p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows
2503whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
2504file was read by GSAS-II. If you are lucky, there will be useful information
2505here (e.g. sample name, date collected, wavelength used, etc.). If not, this
2506window will be blank. The text is read-only in that anything you try to enter
2507here is not saved.</span></p>
2508
2509<span style='mso-bookmark:Comments'></span>
2510
2511<h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span
2512style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2513
2514<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2515window shows the limits in position to be used in any fitting for this powder
2516pattern. The &#8216;original&#8217; values are obtained from the minimum &amp;
2517maximum values in the powder pattern. You can modify &#8216;changed&#8217; as
2518needed.<o:p></o:p></span></p>
2519
2520<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2521
2522<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2523style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2524style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2525style='mso-fareast-font-family:"Times New Roman"'>You can change <span
2526class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
2527&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
2528changed (the background on the box will be blue or have a black border or a
2529vertical bar will appear in the value), then enter the new value and press
2530Enter or click the mouse elsewhere in the Background window. This will set the
2531new value.<o:p></o:p></span></p>
2532
2533<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2534style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2535style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2536style='mso-fareast-font-family:"Times New Roman"'>Modify the values of
2537&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
2538(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
2539line) into position. A left or right mouse click on a data point on the plot
2540will set the associated limit. In either case the appropriate value on the
2541&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
2542
2543<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
2544style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2545style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2546style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2547style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2548
2549<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2550text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span
2551style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2552style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2553style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2554style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2555limits shown to other selected powder patterns. If used, a dialog box (Copy
2556Parameters) will appear showing the list of available powder patterns, you can
2557copy the limits parameters to any or all of them; select &#8216;All&#8217; to
2558copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
2559&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2560
2561<h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4>
2562
2563<span style='mso-bookmark:Background'></span>
2564
2565<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2566window shows the choice of background functions and coefficients to be used in
2567fitting this powder pattern. There are three types of contributions available for
2568the background:<o:p></o:p></span></p>
2569
2570<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
2571A continuous empirical function (&#8216;<span class=SpellE>chebyschev</span>&#8217;,
2572&#8216;cosine&#8217;, &#8216;<span class=SpellE><span class=GramE>lin</span></span>
2573interpolate&#8217;, &#8216;inv interpolate&#8217; &amp; &#8216;log
2574interpolate&#8217;). The latter three select fixed points with spacing that is <span
2575class=GramE>either equal</span>, inversely equal or equal on a log scale of the
2576x-coordinate. The set of magnitudes at each point then comprise the background
2577variables. All are refined when refine is selected.<o:p></o:p></span></p>
2578
2579<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2580"Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the
2581form:<o:p></o:p></span></p>
2582
2583<p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family:
2584"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
2585 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2586 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
2587   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2588   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2589   normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span
2590     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2591     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2592     normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style:
2593     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2594     "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i
2595     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2596     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
2597   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2598   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2599   normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2600   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2601   "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
2602   normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2603   "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span
2604     style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
2605     mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
2606     normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
2607     normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
2608     "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i
2609     style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
2610     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
2611style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
2612"Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative;
2613top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language:
2614EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025"
2615 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'>
2616 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/>
2617</v:shape><![endif]--><![if !vml]><img width=178 height=51
2618src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
2619style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:
26201'>&nbsp;&nbsp;&nbsp;&nbsp; </span><o:p></o:p></span></p>
2621
2622<p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span
2623style='mso-fareast-font-family:"Times New Roman"'> A,R &amp; U are the possible
2624variables and can be individually selected as desired; Q = 2</span><span
2625style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span
2626style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
2627
2628<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
2629A set of individual Bragg peaks using the pseudo-Voigt profile function as
2630their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
2631&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
2632&#8216;gam&#8217;; each can be selected for refinement. The default values for
2633sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
2634to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
2635
2636<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2637
2638<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2639style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2640style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2641style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2642style='mso-bidi-font-weight:normal'>File</b>&#8217; &#8211; <o:p></o:p></span></p>
2643
2644<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2645auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2646style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2647style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2648style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2649style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2650background parameters shown to other selected powder patterns. If used, a
2651dialog box (Copy Parameters) will appear showing the list of available powder
2652patterns, you can copy the background parameters to any or all of them; select
2653&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2654do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2655
2656<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2657auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2658style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2659style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2660style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2661flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2662this copies only the refinement flags shown to other selected powder patterns.
2663If used, a dialog box (Copy Refinement Flags) will appear showing the list of
2664available powder patterns, you can copy the refinement flags to any or all of
2665them; select &#8216;All&#8217; to copy them to all patterns. Then select
2666&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
2667
2668<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2669style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2670style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2671style='mso-fareast-font-family:"Times New Roman"'>You can select a different
2672Background function from the pull down tab.<o:p></o:p></span></p>
2673
2674<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2675style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2676style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2677style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not
2678refine the background coefficients.<o:p></o:p></span></p>
2679
2680<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2681style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2682style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2683style='mso-fareast-font-family:"Times New Roman"'>You can select the number of
2684background coefficients to be used (1-36).<o:p></o:p></span></p>
2685
2686<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2687style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2688style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2689style='mso-fareast-font-family:"Times New Roman"'>You can change individual
2690background coefficient values. Enter the value then press Enter or click the
2691mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
2692
2693<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2694style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
2695style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2696style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
2697Debye scattering terms into the background. For each one you should enter a
2698sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
2699an amorphous phase is appropriate. Select parameters to refine; usually start
2700with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
2701
2702<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
2703style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
2704style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2705style='mso-fareast-font-family:"Times New Roman"'>You can introduce single
2706Bragg peaks into the background. For each you should specify at least the
2707position. Select parameters to refine; usually start with the &#8216;<span
2708class=SpellE>int</span>&#8217; coefficients.<o:p></o:p></span></p>
2709
2710<h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family:
2711"Times New Roman"'>Instrument Parameters</span></u></a><u><span
2712style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4>
2713
2714<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2715window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p>
2716
2717<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
2718
2719<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2720style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2721style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2722style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
2723style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211;<o:p></o:p></span></p>
2724
2725<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2726auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2727style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2728style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2729style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load
2730profile&#8230; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2731loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>),
2732replacing the existing instrument parameter values. All refinement flags are
2733unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2734
2735<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2736auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2737style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2738style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2739style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save
2740profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
2741the current instrument parameter values in a simple text file (<span
2742class=SpellE>name.instprm</span>); you will be prompted for the file name
2743&#8211; do not change the extension. This file may be edited but heed the
2744warning to not change the parameter names, the order of the parameter records
2745or add new parameter records as this will invalidate the file. You may only
2746change the numeric values if necessary. You can change or add comment records
2747(begins with &#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2748
2749<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2750auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2751style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
2752style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2753style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset
2754profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
2755resets the values for the instrument parameters to the default values shown in
2756parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
2757
2758<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2759auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2760style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
2761style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2762style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
2763style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2764instrument parameters shown to other selected powder patterns. If used, a
2765dialog box (Copy parameters) will appear showing the list of available powder
2766patterns, you can copy the instrument parameters to any or all of them; select
2767&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2768do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2769work for instrument parameters that are commensurate with the one that is
2770shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2771style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2772style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2773style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2774style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2775style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2776style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2777
2778<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2779auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2780style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
2781style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2782style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2783flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
2784&#8211; this copies the instrument parameter refinement flags shown to other
2785selected powder patterns. If used, a dialog box (Copy refinement flags) will
2786appear showing the list of available powder patterns, you can copy the
2787instrument parameter refinement flags to any or all of them; select
2788&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2789do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
2790work for instrument parameters that are commensurate with the one that is
2791shown, e.g. single radiation patterns will not be updated from K</span><sub><span
2792style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2793style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2794style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2795style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2796style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2797style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p>
2798
2799<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
2800auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
2801style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
2802style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2803style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change
2804radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
2805&#8211; this changes the radiation between single wavelength (e.g. for
2806synchrotron source) and K</span><sub><span style='font-family:Symbol;
2807mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2808style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
2809style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span
2810style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
2811style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span
2812style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a
2813laboratory tube source).<o:p></o:p></span></p>
2814
2815<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2816style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2817style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2818style='mso-fareast-font-family:"Times New Roman"'>You can change any of the
2819profile coefficients<o:p></o:p></span></p>
2820
2821<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
2822style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2823style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2824style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any
2825profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain
2826circumstances some choices are ignored e.g. Zero is not refined during peak
2827fitting. Also some choices may lead to unstable refinement, e.g. <span
2828class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the
2829&#8216;</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance&#8217;</span></a><span
2830style='mso-fareast-font-family:"Times New Roman"'> display for highly correlated
2831parameters.<o:p></o:p></span></p>
2832
2833<h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family:
2834"Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4>
2835
2836<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2837window show the various sample dependent parameters for this powder pattern.
2838The presence of a refine button indicates which can be refined while others are
2839fixed. All values can be changed in this window.<o:p></o:p></span></p>
2840
2841<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
2842Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
2843I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
2844style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2845color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
2846
2847<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
2848style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
2849style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2850normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
2851style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2852style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2853normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
2854style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
2855style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
2856style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
2857style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2858normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
2859
2860<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
2861text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
2862style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
2863style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
2864style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2865style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
2866style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
2867style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
2868sample parameters shown to other selected powder patterns. If used, a dialog
2869box (Copy parameters) will appear showing the list of available powder
2870patterns, you can copy the sample parameters to any or all of them; select
2871&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
2872do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
2873
2874<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
2875text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
2876style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
2877style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
2878style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
2879style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
2880flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
2881style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
2882- &#8211; this copies the sample parameter refinement flags shown to other
2883selected powder patterns. If used, a dialog box (Copy refinement flags) will
2884appear showing the list of available powder patterns, you can copy the sample
2885parameter refinement flags to any or all of them; select &#8216;All&#8217; to
2886copy them to all patterns. Then select &#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217;
2887to cancel the operation. <o:p></o:p></span></span></span></p>
2888
2889<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
2890style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
2891style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
2892
2893<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
2894window shows the list of peaks that will be used by the peak fitting
2895refinement. It is filled by picking peaks in the powder pattern displayed in
2896the GSASII Plots window as a sequence of &#8216;+&#8217; marks.<o:p></o:p></span></p>
2897
2898<h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span
2899style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What
2900can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span
2901style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2902normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
2903
2904<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2905style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2906"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2907bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2908</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2909color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span><span
2910style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2911color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span
2912style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2913normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
2914
2915<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2916tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2917style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2918normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span
2919style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2920class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
2921style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2922color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
2923peak parameters, background and instrument parameter values varied in the last
2924peak fitting refinement back to their original values. Use this to recover from
2925a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
2926only a single level of recovery available.<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'>b.<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'>LSQ <span
2934class=SpellE>PeakFit</span></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; perform a least squares fit of the
2937peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters,
2938background parameters and instrument parameters with refine checked will be
2939varied in this refinement. The refinement will proceed until convergence. We
2940suggest you vary the intensity along with the background first (the default),
2941then vary the position and instrument parameters after. The order will depend
2942on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y
2943&amp; SH/L). To determine how to proceed, examine in detail the powder pattern
2944difference curve displayed in the GSASII Plots window. If individual peaks show
2945peak widths that are widely different, their individual sigma and gamma
2946parameters may be refined. If the refinement results in negative peak
2947coefficients, these will be highlighted in red. If this happens, you should </span></span><span
2948style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family:
2949"Times New Roman";color:windowtext'>UnDo</span></span></span><span
2950style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2951color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement
2952and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
2953
2954<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2955tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2956style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2957normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span
2958style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2959style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one
2960cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
2961style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2962normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
2963squares refinement. This can be used in difficult cases to get a refinement
2964started toward convergence.<o:p></o:p></span></span></h5>
2965
2966<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2967tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2968style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2969normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span
2970style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2971style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
2972and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
2973style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2974normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
2975gamma to those computed from the instrument parameters U, V, W, <span
2976class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
2977
2978<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
2979tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
2980style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
2981normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span
2982style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2983style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
2984style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
2985color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
2986removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
2987
2988<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
2989style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
2990"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
2991bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2992</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
2993color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
2994peaks to the Peak list using the mouse on the plot by: 1) position the pointer
2995near to the top point on a peak, 2) press the left mouse button. The selected
2996peak will be added to the Peak List in its correct sorted order and a blue vertical
2997line will be plotted on that position. Be sure that the Zoom/Pan buttons are
2998not selected on the Plot window. We recommend that you begin picking peaks from
2999the right side of the pattern; that way the tool tip won&#8217;t be in your way
3000as you select peaks.<o:p></o:p></span></span></h5>
3001
3002<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3003style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3004"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3005bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3006</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3007color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
3008Peak List item using the mouse on the plot by: 1) position the pointer on the
3009blue line for the peak you wish to move, 2) holding the left mouse button down,
3010drag to the desired position &amp; then release the button. The peak line will
3011be drawn in the new position. Be sure that the Zoom/Pan buttons are not
3012selected on the Plot window.<o:p></o:p></span></span></h5>
3013
3014<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3015style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3016"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3017</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You
3018can change individual peak coefficient values. Enter the value then press Enter
3019or Tab or click the mouse elsewhere in the Peak List window. This will set the
3020new value.<o:p></o:p></span></span></p>
3021
3022<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3023style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3024"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3025</span></span></span><![endif]>You can change the refine flags either by
3026clicking on the box or by selecting one and then selecting the column (a single
3027click on the column heading; column should show in blue). Then type
3028&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags. </span><span
3029style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
3030
3031<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
3032style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
3033"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
3034bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3035</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
3036color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
3037peaks in the Peak List by selecting rows (should appear in blue) and then
3038pressing the Delete key. You can also delete peaks using the mouse on the plot
3039by positioning the pointer on the blue line for the peak to be deleted and then
3040pressing the right mouse button. The blue line should vanish and the
3041corresponding peak will be removed from the Peak List. Be sure that the
3042Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
3043
3044<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
3045"Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family:
3046"Times New Roman"'><o:p></o:p></span></h4>
3047
3048<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3049window shows the list of peaks that will be used for indexing (see </span><a
3050href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3051Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>).
3052It must be filled before indexing can proceed. When indexing is completed, this
3053display will show the resulting <span class=SpellE>hkl</span> values for every
3054indexed reflection along with the calculated d-spacing (&#8216;d-<span
3055class=SpellE>calc</span>&#8217;) for the selected unit cell in </span><a
3056href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit
3057Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3058
3059<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3060
3061<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3062style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3063style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3064style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3065style='mso-bidi-font-weight:normal'>Operations</b>&#8217; &#8211; <b
3066style='mso-bidi-font-weight:normal'>Load/Reload</b> &#8211; loads the peak
3067positions &amp; intensities from the </span><a href="#Peak_List"><span
3068style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span
3069style='mso-fareast-font-family:"Times New Roman"'> to make them available for
3070the indexing routine. The d-<span class=SpellE>obs</span> is obtained from
3071Bragg&#8217;s Law after applying the Zero correction shown on the </span><a
3072href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument
3073Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'>
3074table to the position shown here.<o:p></o:p></span></p>
3075
3076<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
3077style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3078style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3079style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
3080peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
3081
3082<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
3083style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family:
3084"Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family:
3085"Times New Roman"'><o:p></o:p></span></h4>
3086
3087<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3088window... <o:p></o:p></span></p>
3089
3090<h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection
3091List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3092
3093<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3094window... <o:p></o:p></span></p>
3095
3096<h3>Single Crystal Histograms - HKLF</h3>
3097
3098<h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution
3099Functions - PDF<o:p></o:p></span></h3>
3100
3101<h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF
3102Controls<o:p></o:p></span></h4>
3103
3104<p class=MsoNormal>This window </p>
3105
3106<h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family:
3107"Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q),
3108<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>
3109
3110<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3111window... <o:p></o:p></span></p>
3112
3113<h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images &#8211;
3114IMG<o:p></o:p></span></h3>
3115
3116<h4><a name=Images>Image Controls</a></h4>
3117
3118<span style='mso-bookmark:Images'></span>
3119
3120<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3121window... <o:p></o:p></span></p>
3122
3123<h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD;
3124mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span
3125style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a
3126name="Image_Masks"></a><![endif]></h4>
3127
3128<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3129window... <o:p></o:p></span></p>
3130
3131<h3>Phase Windows</h3>
3132
3133<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When
3134a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are
3135shown for that selected phase in a tabbed window. Clicking on each tab raises
3136the windows listed below. Each tab is identified by the underlined phrase in
3137the following:<o:p></o:p></span></p>
3138
3139<h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u>
3140Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4>
3141
3142<span style='mso-bookmark:General'></span>
3143
3144<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3145gives overall parameters describing the phase such as the name, space group,
3146the unit cell parameters and overall parameters for the atom present in the
3147phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p>
3148
3149<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3150
3151<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3152style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3153style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3154style='mso-fareast-font-family:"Times New Roman"'>Menu &#8216;<b
3155style='mso-bidi-font-weight:normal'>Compute&#8217;</b> &#8211; The compute menu
3156shows computations that are possible for this phase.<o:p></o:p></span></p>
3157
3158<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3159auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3162style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier
3163maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3164compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
3165
3166<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3167auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3168style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3169style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3170style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
3171maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
3172search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
3173% of the maximum will be found in this procedure; they will be printed on the
3174console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
3175page. This page will immediately be shown and the peaks will be shown on the
3176structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
3177
3178<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3179style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3180style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3181style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part
3182of the General page that can be changed are Phase name, Phase type, Space
3183group, unit cell parameters &amp; refine flag. These are described in turn:<u><o:p></o:p></u></span></p>
3184
3185<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3186auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3187style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3188style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3189style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3190name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> &#8211;
3191this is the name assigned to this phase. It should only be changed when the
3192phase is initialized or imported.<u><o:p></o:p></u></span></p>
3193
3194<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3195auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3196style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3197style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3198style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
3199type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
3200can only be set when there are no atoms in the Atoms page for this phase.
3201Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
3202
3203<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3204auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3205style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3206style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3207style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
3208group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3209&#8211; this should be set when the phase is initialized; it can be changed
3210later. Be careful about the impact on Atom site symmetry and multiplicity if
3211you do. GSAS-II will recognize any legal space group symbol using the short
3212Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
3213fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
3214with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
3215setting where the center of inversion is located at the origin. The choice of
3216space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
3217
3218<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3219auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3220style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3222style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
3223unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3224&#8211; set this flag to refine the unit cell parameters in a Rietveld or Pawley
3225refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
3226in the expression</span><i style='mso-bidi-font-style:normal'><span
3227style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><br>
3228</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
3229    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3230    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3231    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3232    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3233    "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3234    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3235    "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i
3236  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3237  mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span
3238    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3239    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3240    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3241    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3242    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><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>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3245    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3246    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3247    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3248    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3249    "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3250    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3251    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3252  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3253  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3254    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3255    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3256    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3257    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3258    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3259    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3260    "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3261    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3262    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3263    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3264    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3265    "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3266    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3267    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3268  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3269  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3270    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3271    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3272    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3273    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3274    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3275    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3276    "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span
3277    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3278    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3279    normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style:
3280    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3281    "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style:
3282    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3283    "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i
3284  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3285  mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
3286    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3287    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3288    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3289    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3290    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3291    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3292    "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i
3293  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3294  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
3295    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3296    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3297    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3298    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3299    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3300    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3301    "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i
3302  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3303  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
3304    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
3305    mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
3306    normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style:
3307    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3308    "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style:
3309    normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
3310    "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i
3311  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3312  mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
3313style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
3314"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
3315mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
3316 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'>
3317 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
3318</v:shape><![endif]--><![if !vml]><img width=335 height=19
3319src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
3320style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
3321
3322<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3323auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
3324style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3325style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3326class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3327"Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span
3328style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span
3329style='mso-fareast-font-family:"Times New Roman"'> &#8211; lattice parameters;
3330only those permitted by the space group are shown. The volume is computed from
3331the values entered.<u><o:p></o:p></u></span></p>
3332
3333<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3334style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3335style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3336style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the
3337Atoms page then the Elements table is shown next on the General page; you may
3338select the isotope (only relevant for neutron diffraction experiments). The
3339density is computed depending on this choice, the unit cell volume and the atom
3340fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
3341
3342<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
3343style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3344style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3345style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are
3346shown at the bottom of the General page. A completed Rietveld or Pawley
3347refinement is required before a Fourier map can be computed. Select the desired
3348type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p>
3349
3350<h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data
3351</span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4>
3352
3353<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3354
3355<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i
3356style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
3357mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character:
3358line-break'>
3359<![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'>
3360<![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5>
3361
3362<h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></h5>
3363
3364<h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4>
3365
3366<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3367
3368<h4><a name=Texture></a><u>Texture</u> Parameters</h4>
3369
3370<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3371
3372<h4><a name="Draw_Options"></a><u>Draw Options</u></h4>
3373
3374<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3375
3376<h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4>
3377
3378<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
3379rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
3380ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
3381menus for this tab; Edit allows modification of the list of atoms to be
3382rendered and Compute gives some options for geometric characterization of
3383selected atoms.</p>
3384
3385<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3386
3387<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3388style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3389style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3390Selection from table: select individual atoms by a left click of the mouse when
3391pointed at the left most column (atom numbers) of the atom display; hold down
3392the Ctrl key to add to your selection; a previously selected atom will be
3393deselected. A selected atom will be highlighted (in grey) and the atom will be
3394shown in green on the plot. Selection without the Ctrl key will clear previous
3395selections. A double left click in the (empty) upper left box will select or
3396deselect all atoms.</p>
3397
3398<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3399style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3400style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
3401Selection from plot: select an atom by a left click of the mouse while holding
3402down the Shift key and pointed at the center of the displayed atom, it will
3403turn green if successful and the corresponding entry in the table will be
3404highlighted (in grey); any previous selections will be cleared. To add to .your
3405selection use the right mouse button (Shift down); if a previously selection is
3406reselected it is removed from the selection list. <b style='mso-bidi-font-weight:
3407normal'>NB</b>: beware of atoms that are hiding behind the one you are trying
3408to select, they may be selected inadvertently. You can rotate the structure
3409anytime during the selection process.</p>
3410
3411<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3412style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3413style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3414left click a Name, Type and Sym Op column heading: a dialog box is shown that
3415allows you to select all atoms with that characteristic. For example, selecting
3416the Type column will show all the atom types; your choice will then cause all
3417those atoms to be selected.</p>
3418
3419<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3420style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3421style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
3422left click a Style, Label or Color column: a dialog box is shown that allows
3423you to select a rendering option for all the atoms. For Color a color choice
3424dialog is displayed that covers the entire color spectrum. Choose a color by
3425any of the means available, press the &#8220;Add to Custom Colors&#8221;,
3426select that color in the Custom colors display and then press OK. <b
3427style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms
3428have the same color and for Style &#8220;blank&#8221; means the atoms
3429aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
3430
3431<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3432style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3433style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3434&#8216;<b style='mso-bidi-font-weight:normal'>Edit&#8217; - </b>The edit menu
3435shows operations that can be performed on your selected atoms. You must select
3436one or more atoms before using any of the menu items.</p>
3437
3438<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3439auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3440style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3441style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3442style='mso-bidi-font-weight:normal'>Atom style</b> &#8211; select the rendering
3443style for the selected atoms</p>
3444
3445<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3446auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3447style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3448style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3449style='mso-bidi-font-weight:normal'>Atom label</b> &#8211; select the item to
3450be shown as a label for each atom in selection. The choices are: none, type,
3451name or number.</p>
3452
3453<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3454auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3455style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3456style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3457style='mso-bidi-font-weight:normal'>Atom color</b> &#8211; select the color for
3458the atom; a color choice dialog is displayed that covers the entire color
3459spectrum. Choose a color by any of the means available, press the &#8220;Add to
3460Custom Colors&#8221;, select that color in the Custom colors display and then
3461press OK.</p>
3462
3463<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3464auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3465style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3466style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3467style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
3468atom color back to their defaults for the selected atoms.</p>
3469
3470<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3471auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3472style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3473style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3474style='mso-bidi-font-weight:normal'>View point</b> &#8211; position the plot
3475view point to the first atom in the selection.</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'>f.<span
3480style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3481style='mso-bidi-font-weight:normal'>Add atoms</b> &#8211; using the selected
3482atoms, new ones are added to the bottom of the list after applying your choice
3483of symmetry operator and unit cell translation selected via a dialog display.
3484Duplicate atom positions are not retained. Any anisotropic thermal displacement
3485parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3486
3487<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3488auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3489style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3490style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3491style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
3492symmetry operator and unit cell translation to the set of selected atoms; they
3493will be changed in place. Any anisotropic thermal displacement parameters (<span
3494class=SpellE>Uij</span>) will be transformed as appropriate.</p>
3495
3496<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3497auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3498style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3499style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3500style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> &#8211; using the atoms
3501currently in the draw atom table, find all atoms that belong in the
3502coordination sphere around the selected atoms via unit cell translations. NB:
3503symmetry operations are not used in this search.</p>
3504
3505<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3506auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3507style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3508style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3509</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit
3510cell</b> - using the atoms currently selected from the draw atom table, find
3511all atoms that fall inside or on the edge/surface/corners of the unit cell.
3512This operation is frequently performed before Fill CN-sphere.</p>
3513
3514<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3515auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
3516style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3517style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3518</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
3519atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
3520the Atoms table. You should do this operation after any changes in the Atoms
3521table, e.g. by a structure refinement.</p>
3522
3523<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
3524style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3525style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3526&#8216;<b style='mso-bidi-font-weight:normal'>Compute&#8217;</b> - The compute
3527menu gives a choice of geometric calculations to be performed with the selected
3528atoms. You must select the appropriate number of atoms for these to work and
3529the computation is done for the atoms in selection order.</p>
3530
3531<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3532auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3533style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3534style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3535style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
3536normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
3537a distance, angle or torsion angle will be found for them. The angles are
3538computed for the atoms in their selection order. The torsion angle is a right
3539hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
3540estimated standard deviation is given for the calculated value if a current
3541variance-covariance matrix is available. The result is shown on the console
3542window; it may be cut &amp; pasted to another application (e.g. Microsoft
3543Word).</p>
3544
3545<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3546text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
3547style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3548style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3549style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
3550are selected, a best plane is determined for them. The result is shown on the
3551console window; it may be cut &amp; pasted to another application (e.g.
3552Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
3553plane coordinates where the largest range is over the X-axis and the smallest
3554is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
3555center of the selection. Root mean square displacements along each axis for the
3556best plane are also listed. The Z-axis RMS value indicates the flatness of the
3557proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
3558(e.g. all) atoms then Best plane will give Cartesian coordinates for these
3559atoms with respect to a coordinate system where the X-axis is along the longest
3560axis of the atom grouping and the Z-axis is along the shortest distance. The
3561origin is at the <span class=SpellE>unweighted</span> center of the selected
3562atoms.</p>
3563
3564<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
3565
3566<p class=MsoNormal>This gives the list of reflections used in a Pawley
3567refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
3568style='color:#00B0F0'> </span><a href="#General">General</a>)<span
3569style='color:#00B0F0'>.</span></p>
3570
3571<h5>What can I do here?</h5>
3572
3573<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3574style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3575style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3576<b style='mso-bidi-font-weight:normal'>&#8216;Operations&#8217;</b> &#8211;</p>
3577
3578<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3579auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3580style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3581style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3582style='mso-bidi-font-weight:normal'>Pawley create</b> &#8211; this creates a
3583new set of Pawley reflections, over writing any preexisting Pawley set. They
3584are generated with d-<span class=SpellE>spacings</span> larger than the limit
3585set as &#8216;Pawley <span class=SpellE>dmin</span>&#8217; in the General tab
3586for this phase. By default the refine flags are not set and the <span
3587class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span
3588class=SpellE>hkl</span>) = 100.0.</p>
3589
3590<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3591auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3592style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3593style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3594style='mso-bidi-font-weight:normal'>Pawley estimate</b> &#8211; this attempts
3595an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span
3596class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the
3597reflection as seen in the 1<sup>st</sup> powder pattern of those selected in
3598the <a href="#Data">Data</a> tab.</p>
3599
3600<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3601auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
3602style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3603style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3604style='mso-bidi-font-weight:normal'>Pawley delete </b>&#8211; this clears the
3605set of Pawley reflections.</p>
3606
3607<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3608style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3609style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3610can change the refine flags either by clicking on the box or by selecting one
3611and then selecting the column (a single click on the column heading). Then type
3612&#8216;y&#8217; to set the refine flags or &#8216;n&#8217; to clear the flags.
3613You should deselect those reflections that fall below the lower limit or above
3614the upper limit of the powder pattern otherwise you may have a singular matrix
3615error in your Pawley refinement.</p>
3616
3617<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
3618style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3619style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
3620can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span
3621class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it,
3622typing in the new value and then pressing enter or selecting somewhere else in
3623the table.</p>
3624
3625<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
3626
3627<h4><a name="Map_peaks">Map peaks</a></h4>
3628
3629<span style='mso-bookmark:Map_peaks'></span>
3630
3631<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
3632found within the unit cell from the last Fourier map search sorted in order of
3633decreasing peak magnitude. The crystal structure plot shows each peak position
3634as a white 3-D cross.</p>
3635
3636<h5>What can I do here?</h5>
3637
3638<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3639style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3640style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
3641a peak with a left click on the left hand row number, hold Ctrl key down to add
3642more peaks to your selection. Each peak selected will show as a green 3-D cross
3643on the crystal structure plot.</p>
3644
3645<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span
3646style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3647style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
3648<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
3649style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
3650
3651<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3652auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3653style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3654style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3655style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
3656peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
3657Atoms</a> list. They will be appended to the end of each list each with the
3658name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
3659drawn as small white spheres at their respective positions in the structure
3660drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and change
3661the atom type to whatever element you desire; it will be renamed automatically.</p>
3662
3663<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3664text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span
3665style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3666style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3667style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all
3668the peaks in the map peak list; they are also removed from the crystal
3669structure drawing plot.</p>
3670
3671<div class=MsoNormal align=center style='text-align:center'><span
3672style='mso-fareast-font-family:"Times New Roman"'>
3673
3674<hr size=2 width="100%" align=center>
3675
3676</span></div>
3677
3678<div class=MsoNormal align=center style='text-align:center'><span
3679style='mso-fareast-font-family:"Times New Roman"'>
3680
3681<hr size=2 width="100%" align=center>
3682
3683</span></div>
3684
3685<h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3.
3686GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span
3687style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span
3688style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>
3689
3690<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3691window presents all the graphical material as a multipage tabbed set of plots
3692utilizing the <span class=SpellE>matplotlib</span> python package. Each page has
3693a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>
3694
3695<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
3696mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
3697src=graphbar.jpg alt="Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
3698style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
3699
3700<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
3701are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p>
3702
3703<ul type=disc>
3704 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3705     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3706     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
3707 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3708     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3709     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
3710 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3711     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3712     "Times New Roman"'>Forward: reverses the action in the previous press(es)
3713     of the Back button <o:p></o:p></span></li>
3714 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3715     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3716     "Times New Roman"'>Pan: allows you to control panning across the plot
3717     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
3718 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3719     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3720     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
3721     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
3722 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3723     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3724     "Times New Roman"'>Save: allows you to save the currently displayed plot
3725     in one of several graphical formats suitable for printing or insertion in
3726     a document.<o:p></o:p></span></li>
3727 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
3728     mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family:
3729     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
3730</ul>
3731
3732<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3733
3734<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below
3735the toolbar may be a status bar that on the left may show either an instruction
3736for a keyed input or a pull down selection of keyed input; on the right may be
3737displayed position dependent information that is updated as the mouse is moved
3738over the plot region.<o:p></o:p></span></p>
3739
3740<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3741
3742<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3743specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p>
3744
3745<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
3746
3747<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3748powder patterns that are part of your project are shown on this page. They can
3749be displayed as a stack of powder patterns, just a single pattern or as a
3750contour image of the peak intensities. What can be done here will depend on
3751which is displayed and on which item in the GSAS-II data tree you have
3752selected.<o:p></o:p></span></p>
3753
3754<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3755
3756<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3757style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3758style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3759style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across
3760the plot, the plot status line will show the cursor position in 2</span><span
3761style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3762style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the
3763intensity. For a q-plot, q is shown instead of 2</span><span style='font-family:
3764Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span
3765style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
3766
3767<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3768style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3769style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
3770the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
3771press&#8217; </b>&#8211; you can either press the key on the key board or
3772select from the pull down menu. For line plots:</p>
3773
3774<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3775auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3776style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3777style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3778class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b
3779style='mso-bidi-font-weight:normal'>: offset left</b> &#8211; for a waterfall
3780plot of multiple powder profiles, increase the offset to the left. Does not
3781apply if only one pattern.</p>
3782
3783<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3784auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3785style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3786style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3787class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
3788style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
3789of multiple powder profiles, increase the offset to the left. Does not apply if
3790only one pattern.</p>
3791
3792<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3793auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3794style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3795style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3796class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
3797style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
3798multiple powder profiles, increase the offset down. Does not apply if only one
3799pattern.</p>
3800
3801<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3802auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3805class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b
3806style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of
3807multiple powder profiles, increase the offset up. Does not apply if only one
3808pattern.</p>
3809
3810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3811auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3814class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b
3815style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot
3816of multiple powder profiles, reset to no offset. Does not apply if only one
3817pattern.</p>
3818
3819<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3820auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3821style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
3822style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3823class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b
3824style='mso-bidi-font-weight:normal'>: log(I) on/off</b> &#8211; changes the
3825y-axis to be the log10 of the intensity; difference curve is not shown for
3826log(I) on.</p>
3827
3828<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3829auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3830style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
3831style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3832class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
3833style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
3834powder profiles, then a contour plot is shown of the observed intensities. All
3835data sets must be the same length as the first one to be included in the
3836contour plot.</p>
3837
3838<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3839auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3840style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
3841style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3842style='mso-bidi-font-weight:normal'>q: toggle q plot</b> &#8211; changes the
3843x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span
3844style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns
3845taken at different energies on the same x-axis scale.</p>
3846
3847<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3848auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3849style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
3850style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3851</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3852normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b>
3853&#8211; for multiple powder profiles, this will show only the one selected from
3854the data tree. The offset options are not active.</p>
3855
3856<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3857auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3858style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
3859style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
3860</span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight:
3861normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by
3862sig</b> &#8211; for the pattern selected from the data tree, this will divide
3863the observed, calculated and difference curves by the <span class=SpellE>esd</span>
3864for the data points. Other data sets are not shown.</p>
3865
3866<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3867auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3868style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
3869style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3870style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder
3871profiles, only the observed curve is shown.</p>
3872
3873<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3876style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status
3877line &#8216;key press&#8217; options are different:<o:p></o:p></span></p>
3878
3879<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3880auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3881style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3882style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3883class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3884"Times New Roman"'>d</span></b></span><b style='mso-bidi-font-weight:normal'><span
3885style='mso-fareast-font-family:"Times New Roman"'>: lower contour max</span></b><span
3886style='mso-fareast-font-family:"Times New Roman"'> &#8211; this lowers the
3887level chosen for the highest contour color.<o:p></o:p></span></p>
3888
3889<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3890auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3891style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3892style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3893style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>u:
3894raise contour max</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
3895&#8211; this raises the level chosen for the highest contour color<o:p></o:p></span></p>
3896
3897<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3898auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3899style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
3900style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3901class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3902"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
3903style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
3904style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
3905method used to represent the contours. If selected a dialog box appears with
3906all the possible choices. Default is &#8216;nearest&#8217;; the other useful
3907choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
3908
3909<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3910auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3911style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
3912style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3913class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3914"Times New Roman"'>s</span></b></span><b style='mso-bidi-font-weight:normal'><span
3915style='mso-fareast-font-family:"Times New Roman"'>: color scheme</span></b><span
3916style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
3917color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
3918black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
3919black on white) or &#8216;gray&#8217; (for white on black). Others can be very
3920colorful (but not useful)!<o:p></o:p></span></p>
3921
3922<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3923auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3924style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
3925style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3926class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
3927"Times New Roman"'>c</span></b></span><b style='mso-bidi-font-weight:normal'><span
3928style='mso-fareast-font-family:"Times New Roman"'>: contour off/on</span></b><span
3929style='mso-fareast-font-family:"Times New Roman"'> &#8211; this turns off
3930contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
3931
3932<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span
3933style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3934style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3935style='mso-fareast-font-family:"Times New Roman"'>Depending on the item chosen
3936for the selected powder pattern in the data tree, the mouse buttons have
3937different actions:<o:p></o:p></span></p>
3938
3939<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
3940auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3941style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
3942style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
3943style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b><span
3944style='mso-fareast-font-family:"Times New Roman"'> - Modify the values of
3945&#8216;changed&#8217;; this can be done on the plot by dragging the limit bars
3946(left &#8211; vertical green dashed line, right &#8211; vertical red dashed
3947line) into position. A left or right mouse click on a data point on the plot
3948will set the associated limit. In either case the appropriate value on the
3949&#8216;changed&#8217; row will be updated immediately.<o:p></o:p></span></p>
3950
3951<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
3952text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span
3953style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
3954style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3955style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3956
3957<p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family:
3958"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
3959
3960<h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span
3961style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
3962
3963<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
3964variance-covariance matrix as a color coded array is shown on this page. The
3965color bar to the right shows the range of <span class=SpellE>covariances</span>
3966(-1 to 1) and corresponding colors. The parameter names are to the right and
3967the parameter numbers are below the plot.<o:p></o:p></span></p>
3968
3969<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
3970
3971<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
3972style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
3973style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
3974the mouse cursor across the plot. If on a diagonal cell, the parameter name,
3975value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
3976right hand portion of the status bar. If the cursor is off the diagonal, the
3977two parameter names and their covariance are shown in the tool tip and the
3978status bar.</p>
3979
3980<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
3981style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3982style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
3983the Zoom and Pan buttons to focus on some section of the variance-covariance
3984matrix. </p>
3985
3986<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
3987style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3988style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
3989class=GramE>Type &#8216;s&#8217;</span> &#8211; A color scheme selection dialog
3990is shown. Select a color scheme and press <span class=GramE>OK,</span> the new
3991color scheme will be plotted. The default is &#8216;<span class=SpellE>RdYlGn</span>&#8217;.</p>
3992
3993<h4><a name="Structure_Factors"><span style='mso-fareast-font-family:"Times New Roman"'>Structure
3994Factors </span></a></h4>
3995
3996<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
3997plot shows... <o:p></o:p></span></p>
3998
3999<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4000
4001<h4><a name="Powder_Lines"><span style='mso-fareast-font-family:"Times New Roman"'>Powder
4002Lines </span></a></h4>
4003
4004<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4005plot shows the line positions for the peak list<o:p></o:p></span></p>
4006
4007<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
4008
4009<h4><a name="Powder_Patterns"></a><span style='mso-fareast-font-family:"Times New Roman"'>Powder
4010Patterns<o:p></o:p></span></h4>
4011
4012<p class=MsoNormal>This plot shows&#8230;.</p>
4013
4014<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4015
4016<h4><a name="Peak_Widths"><span style='mso-fareast-font-family:"Times New Roman"'>Peak
4017Widths </span></a></h4>
4018
4019<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4020plot shows the contributions to the powder pattern peak widths as </span><span
4021style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
4022style='mso-fareast-font-family:"Times New Roman"'>d/d (= </span><span
4023style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span><span
4024style='mso-fareast-font-family:"Times New Roman"'>q/q) <span class=SpellE>vs</span>
4025<span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family:
4026"Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d)
4027from the Gaussian and Lorentzian parts of the profile function. The computed
4028curves are based on the values of U, V, W, X and Y shown in the Instrument
4029Parameters window in parentheses. These are the values for the instrument
4030contribution that were set when the powder pattern was first read in to
4031GSAS-II. If individual peak fitting has been performed, the values of
4032&#8216;sig&#8217; &amp; &#8216;gam&#8217; for the peaks are plotted as
4033&#8216;+&#8217;; these are computed from the fitted values of U, V, W, X and Y
4034as well as any sig or gam individually refined.<o:p></o:p></span></p>
4035
4036<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
4037
4038<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4039plot shows... <o:p></o:p></span></p>
4040
4041<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
4042
4043<h4><a name="Sequential_refinement"></a><span style='mso-fareast-font-family:
4044"Times New Roman"'>Sequential refinement </span></h4>
4045
4046<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
4047plot shows the variation of the selected parameters with respect to the data
4048sequence number.<o:p></o:p></span></p>
4049