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413  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
414  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
415  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
416  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
417  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
418  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
419  <w:LsdException Locked="false" Priority="34" QFormat="true"
420   Name="List Paragraph"/>
421  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
422  <w:LsdException Locked="false" Priority="30" QFormat="true"
423   Name="Intense Quote"/>
424  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
425  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
426  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
427  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
428  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
429  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
430  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
431  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
432  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
433  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
434  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
435  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
440  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
441  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
442  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
443  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
444  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
445  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
446  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
447  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
448  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
449  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
454  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
455  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
456  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
457  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
458  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
459  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
460  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
461  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
462  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
463  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
468  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
469  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
470  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
471  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
472  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
473  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
474  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
475  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
476  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
477  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
482  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
483  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
484  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
485  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
486  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
487  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
488  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
489  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
490  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
491  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
496  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
497  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
498  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
499  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
500  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
501  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
502  <w:LsdException Locked="false" Priority="19" QFormat="true"
503   Name="Subtle Emphasis"/>
504  <w:LsdException Locked="false" Priority="21" QFormat="true"
505   Name="Intense Emphasis"/>
506  <w:LsdException Locked="false" Priority="31" QFormat="true"
507   Name="Subtle Reference"/>
508  <w:LsdException Locked="false" Priority="32" QFormat="true"
509   Name="Intense Reference"/>
510  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
511  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
512   UnhideWhenUsed="true" Name="Bibliography"/>
513  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
514   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
515  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
516  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
517  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
518  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
519  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
520  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
521  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
522  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
523  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
524  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
525  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
526  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
527  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
528  <w:LsdException Locked="false" Priority="46"
529   Name="Grid Table 1 Light Accent 1"/>
530  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
531  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
532  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
533  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
534  <w:LsdException Locked="false" Priority="51"
535   Name="Grid Table 6 Colorful Accent 1"/>
536  <w:LsdException Locked="false" Priority="52"
537   Name="Grid Table 7 Colorful Accent 1"/>
538  <w:LsdException Locked="false" Priority="46"
539   Name="Grid Table 1 Light Accent 2"/>
540  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
541  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
542  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
543  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
544  <w:LsdException Locked="false" Priority="51"
545   Name="Grid Table 6 Colorful Accent 2"/>
546  <w:LsdException Locked="false" Priority="52"
547   Name="Grid Table 7 Colorful Accent 2"/>
548  <w:LsdException Locked="false" Priority="46"
549   Name="Grid Table 1 Light Accent 3"/>
550  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
551  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
552  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
553  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
554  <w:LsdException Locked="false" Priority="51"
555   Name="Grid Table 6 Colorful Accent 3"/>
556  <w:LsdException Locked="false" Priority="52"
557   Name="Grid Table 7 Colorful Accent 3"/>
558  <w:LsdException Locked="false" Priority="46"
559   Name="Grid Table 1 Light Accent 4"/>
560  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
561  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
562  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
563  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
564  <w:LsdException Locked="false" Priority="51"
565   Name="Grid Table 6 Colorful Accent 4"/>
566  <w:LsdException Locked="false" Priority="52"
567   Name="Grid Table 7 Colorful Accent 4"/>
568  <w:LsdException Locked="false" Priority="46"
569   Name="Grid Table 1 Light Accent 5"/>
570  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
571  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
572  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
573  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
574  <w:LsdException Locked="false" Priority="51"
575   Name="Grid Table 6 Colorful Accent 5"/>
576  <w:LsdException Locked="false" Priority="52"
577   Name="Grid Table 7 Colorful Accent 5"/>
578  <w:LsdException Locked="false" Priority="46"
579   Name="Grid Table 1 Light Accent 6"/>
580  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
581  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
582  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
583  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
584  <w:LsdException Locked="false" Priority="51"
585   Name="Grid Table 6 Colorful Accent 6"/>
586  <w:LsdException Locked="false" Priority="52"
587   Name="Grid Table 7 Colorful Accent 6"/>
588  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
589  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
590  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
591  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
592  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
593  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
594  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
595  <w:LsdException Locked="false" Priority="46"
596   Name="List Table 1 Light Accent 1"/>
597  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
598  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
599  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
600  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
601  <w:LsdException Locked="false" Priority="51"
602   Name="List Table 6 Colorful Accent 1"/>
603  <w:LsdException Locked="false" Priority="52"
604   Name="List Table 7 Colorful Accent 1"/>
605  <w:LsdException Locked="false" Priority="46"
606   Name="List Table 1 Light Accent 2"/>
607  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
608  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
609  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
610  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
611  <w:LsdException Locked="false" Priority="51"
612   Name="List Table 6 Colorful Accent 2"/>
613  <w:LsdException Locked="false" Priority="52"
614   Name="List Table 7 Colorful Accent 2"/>
615  <w:LsdException Locked="false" Priority="46"
616   Name="List Table 1 Light Accent 3"/>
617  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
618  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
619  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
620  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
621  <w:LsdException Locked="false" Priority="51"
622   Name="List Table 6 Colorful Accent 3"/>
623  <w:LsdException Locked="false" Priority="52"
624   Name="List Table 7 Colorful Accent 3"/>
625  <w:LsdException Locked="false" Priority="46"
626   Name="List Table 1 Light Accent 4"/>
627  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
628  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
629  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
630  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
631  <w:LsdException Locked="false" Priority="51"
632   Name="List Table 6 Colorful Accent 4"/>
633  <w:LsdException Locked="false" Priority="52"
634   Name="List Table 7 Colorful Accent 4"/>
635  <w:LsdException Locked="false" Priority="46"
636   Name="List Table 1 Light Accent 5"/>
637  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
638  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
639  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
640  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
641  <w:LsdException Locked="false" Priority="51"
642   Name="List Table 6 Colorful Accent 5"/>
643  <w:LsdException Locked="false" Priority="52"
644   Name="List Table 7 Colorful Accent 5"/>
645  <w:LsdException Locked="false" Priority="46"
646   Name="List Table 1 Light Accent 6"/>
647  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
648  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
649  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
650  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
651  <w:LsdException Locked="false" Priority="51"
652   Name="List Table 6 Colorful Accent 6"/>
653  <w:LsdException Locked="false" Priority="52"
654   Name="List Table 7 Colorful Accent 6"/>
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709h2
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769h5
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785        font-weight:bold;}
786a:link, span.MsoHyperlink
787        {mso-style-noshow:yes;
788        mso-style-priority:99;
789        color:blue;
790        text-decoration:underline;
791        text-underline:single;}
792a:visited, span.MsoHyperlinkFollowed
793        {mso-style-noshow:yes;
794        mso-style-priority:99;
795        color:purple;
796        text-decoration:underline;
797        text-underline:single;}
798p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
799        {mso-style-noshow:yes;
800        mso-style-priority:99;
801        mso-style-link:"Document Map Char";
802        margin:0in;
803        margin-bottom:.0001pt;
804        mso-pagination:widow-orphan;
805        font-size:8.0pt;
806        font-family:"Tahoma",sans-serif;
807        mso-fareast-font-family:"Times New Roman";
808        mso-fareast-theme-font:minor-fareast;}
809p
810        {mso-style-noshow:yes;
811        mso-style-priority:99;
812        mso-margin-top-alt:auto;
813        margin-right:0in;
814        mso-margin-bottom-alt:auto;
815        margin-left:0in;
816        mso-pagination:widow-orphan;
817        font-size:12.0pt;
818        font-family:"Times New Roman",serif;
819        mso-fareast-font-family:"Times New Roman";
820        mso-fareast-theme-font:minor-fareast;}
821pre
822        {mso-style-noshow:yes;
823        mso-style-priority:99;
824        mso-style-link:"HTML Preformatted Char";
825        margin:0in;
826        margin-bottom:.0001pt;
827        mso-pagination:widow-orphan;
828        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;
829        font-size:10.0pt;
830        font-family:"Courier New";
831        mso-fareast-font-family:"Times New Roman";}
832p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
833        {mso-style-noshow:yes;
834        mso-style-priority:99;
835        mso-style-link:"Balloon Text Char";
836        margin:0in;
837        margin-bottom:.0001pt;
838        mso-pagination:widow-orphan;
839        font-size:8.0pt;
840        font-family:"Tahoma",sans-serif;
841        mso-fareast-font-family:"Times New Roman";
842        mso-fareast-theme-font:minor-fareast;}
843span.MsoPlaceholderText
844        {mso-style-noshow:yes;
845        mso-style-priority:99;
846        mso-style-unhide:no;
847        color:gray;}
848p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
849        {mso-style-noshow:yes;
850        mso-style-priority:1;
851        mso-style-unhide:no;
852        mso-style-qformat:yes;
853        mso-style-parent:"";
854        margin:0in;
855        margin-bottom:.0001pt;
856        mso-pagination:widow-orphan;
857        font-size:12.0pt;
858        font-family:"Times New Roman",serif;
859        mso-fareast-font-family:"Times New Roman";
860        mso-fareast-theme-font:minor-fareast;}
861p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
862        {mso-style-noshow:yes;
863        mso-style-priority:34;
864        mso-style-unhide:no;
865        mso-style-qformat:yes;
866        margin-top:0in;
867        margin-right:0in;
868        margin-bottom:0in;
869        margin-left:.5in;
870        margin-bottom:.0001pt;
871        mso-add-space:auto;
872        mso-pagination:widow-orphan;
873        font-size:12.0pt;
874        font-family:"Times New Roman",serif;
875        mso-fareast-font-family:"Times New Roman";
876        mso-fareast-theme-font:minor-fareast;}
877p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
878        {mso-style-noshow:yes;
879        mso-style-priority:34;
880        mso-style-unhide:no;
881        mso-style-qformat:yes;
882        mso-style-type:export-only;
883        margin-top:0in;
884        margin-right:0in;
885        margin-bottom:0in;
886        margin-left:.5in;
887        margin-bottom:.0001pt;
888        mso-add-space:auto;
889        mso-pagination:widow-orphan;
890        font-size:12.0pt;
891        font-family:"Times New Roman",serif;
892        mso-fareast-font-family:"Times New Roman";
893        mso-fareast-theme-font:minor-fareast;}
894p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
895        {mso-style-noshow:yes;
896        mso-style-priority:34;
897        mso-style-unhide:no;
898        mso-style-qformat:yes;
899        mso-style-type:export-only;
900        margin-top:0in;
901        margin-right:0in;
902        margin-bottom:0in;
903        margin-left:.5in;
904        margin-bottom:.0001pt;
905        mso-add-space:auto;
906        mso-pagination:widow-orphan;
907        font-size:12.0pt;
908        font-family:"Times New Roman",serif;
909        mso-fareast-font-family:"Times New Roman";
910        mso-fareast-theme-font:minor-fareast;}
911p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
912        {mso-style-noshow:yes;
913        mso-style-priority:34;
914        mso-style-unhide:no;
915        mso-style-qformat:yes;
916        mso-style-type:export-only;
917        margin-top:0in;
918        margin-right:0in;
919        margin-bottom:0in;
920        margin-left:.5in;
921        margin-bottom:.0001pt;
922        mso-add-space:auto;
923        mso-pagination:widow-orphan;
924        font-size:12.0pt;
925        font-family:"Times New Roman",serif;
926        mso-fareast-font-family:"Times New Roman";
927        mso-fareast-theme-font:minor-fareast;}
928span.MsoIntenseReference
929        {mso-style-priority:32;
930        mso-style-unhide:no;
931        mso-style-qformat:yes;
932        font-variant:small-caps;
933        color:#C0504D;
934        mso-themecolor:accent2;
935        letter-spacing:.25pt;
936        font-weight:bold;
937        text-decoration:underline;
938        text-underline:single;}
939span.Heading1Char
940        {mso-style-name:"Heading 1 Char";
941        mso-style-priority:9;
942        mso-style-unhide:no;
943        mso-style-locked:yes;
944        mso-style-link:"Heading 1";
945        mso-ansi-font-size:24.0pt;
946        mso-bidi-font-size:24.0pt;
947        font-family:"Times New Roman",serif;
948        mso-ascii-font-family:"Times New Roman";
949        mso-fareast-font-family:"Times New Roman";
950        mso-fareast-theme-font:minor-fareast;
951        mso-hansi-font-family:"Times New Roman";
952        mso-bidi-font-family:"Times New Roman";
953        mso-font-kerning:18.0pt;
954        font-weight:bold;}
955span.Heading2Char
956        {mso-style-name:"Heading 2 Char";
957        mso-style-noshow:yes;
958        mso-style-priority:9;
959        mso-style-unhide:no;
960        mso-style-locked:yes;
961        mso-style-link:"Heading 2";
962        mso-ansi-font-size:18.0pt;
963        mso-bidi-font-size:18.0pt;
964        font-family:"Times New Roman",serif;
965        mso-ascii-font-family:"Times New Roman";
966        mso-fareast-font-family:"Times New Roman";
967        mso-fareast-theme-font:minor-fareast;
968        mso-hansi-font-family:"Times New Roman";
969        mso-bidi-font-family:"Times New Roman";
970        font-weight:bold;}
971span.Heading3Char
972        {mso-style-name:"Heading 3 Char";
973        mso-style-noshow:yes;
974        mso-style-priority:9;
975        mso-style-unhide:no;
976        mso-style-locked:yes;
977        mso-style-link:"Heading 3";
978        mso-ansi-font-size:13.5pt;
979        mso-bidi-font-size:13.5pt;
980        font-family:"Times New Roman",serif;
981        mso-ascii-font-family:"Times New Roman";
982        mso-fareast-font-family:"Times New Roman";
983        mso-fareast-theme-font:minor-fareast;
984        mso-hansi-font-family:"Times New Roman";
985        mso-bidi-font-family:"Times New Roman";
986        font-weight:bold;}
987span.Heading4Char
988        {mso-style-name:"Heading 4 Char";
989        mso-style-noshow:yes;
990        mso-style-priority:9;
991        mso-style-unhide:no;
992        mso-style-locked:yes;
993        mso-style-link:"Heading 4";
994        mso-ansi-font-size:13.0pt;
995        mso-bidi-font-size:13.0pt;
996        font-family:"Cambria",serif;
997        mso-ascii-font-family:Cambria;
998        mso-ascii-theme-font:major-latin;
999        mso-fareast-font-family:"Times New Roman";
1000        mso-fareast-theme-font:major-fareast;
1001        mso-hansi-font-family:Cambria;
1002        mso-hansi-theme-font:major-latin;
1003        mso-bidi-font-family:"Times New Roman";
1004        mso-bidi-theme-font:major-bidi;
1005        color:#4F81BD;
1006        mso-themecolor:accent1;
1007        font-weight:bold;
1008        font-style:italic;}
1009span.Heading5Char
1010        {mso-style-name:"Heading 5 Char";
1011        mso-style-noshow:yes;
1012        mso-style-priority:9;
1013        mso-style-unhide:no;
1014        mso-style-locked:yes;
1015        mso-style-link:"Heading 5";
1016        mso-ansi-font-size:12.0pt;
1017        mso-bidi-font-size:12.0pt;
1018        font-family:"Times New Roman",serif;
1019        mso-ascii-font-family:"Times New Roman";
1020        mso-fareast-font-family:"Times New Roman";
1021        mso-fareast-theme-font:minor-fareast;
1022        mso-hansi-font-family:"Times New Roman";
1023        mso-bidi-font-family:"Times New Roman";
1024        color:#4F4FFF;
1025        font-weight:bold;}
1026span.HTMLPreformattedChar
1027        {mso-style-name:"HTML Preformatted Char";
1028        mso-style-noshow:yes;
1029        mso-style-priority:99;
1030        mso-style-unhide:no;
1031        mso-style-locked:yes;
1032        mso-style-link:"HTML Preformatted";
1033        mso-ansi-font-size:10.0pt;
1034        mso-bidi-font-size:10.0pt;
1035        font-family:"Courier New";
1036        mso-ascii-font-family:"Courier New";
1037        mso-fareast-font-family:"Times New Roman";
1038        mso-hansi-font-family:"Courier New";
1039        mso-bidi-font-family:"Courier New";}
1040p.msonormal0, li.msonormal0, div.msonormal0
1041        {mso-style-name:msonormal;
1042        mso-style-noshow:yes;
1043        mso-style-priority:99;
1044        mso-style-unhide:no;
1045        mso-margin-top-alt:auto;
1046        margin-right:0in;
1047        mso-margin-bottom-alt:auto;
1048        margin-left:0in;
1049        mso-pagination:widow-orphan;
1050        font-size:12.0pt;
1051        font-family:"Times New Roman",serif;
1052        mso-fareast-font-family:"Times New Roman";
1053        mso-fareast-theme-font:minor-fareast;}
1054span.DocumentMapChar
1055        {mso-style-name:"Document Map Char";
1056        mso-style-noshow:yes;
1057        mso-style-priority:99;
1058        mso-style-unhide:no;
1059        mso-style-locked:yes;
1060        mso-style-link:"Document Map";
1061        mso-ansi-font-size:8.0pt;
1062        mso-bidi-font-size:8.0pt;
1063        font-family:"Tahoma",sans-serif;
1064        mso-ascii-font-family:Tahoma;
1065        mso-fareast-font-family:"Times New Roman";
1066        mso-fareast-theme-font:minor-fareast;
1067        mso-hansi-font-family:Tahoma;
1068        mso-bidi-font-family:Tahoma;}
1069span.BalloonTextChar
1070        {mso-style-name:"Balloon Text Char";
1071        mso-style-noshow:yes;
1072        mso-style-priority:99;
1073        mso-style-unhide:no;
1074        mso-style-locked:yes;
1075        mso-style-link:"Balloon Text";
1076        mso-ansi-font-size:8.0pt;
1077        mso-bidi-font-size:8.0pt;
1078        font-family:"Tahoma",sans-serif;
1079        mso-ascii-font-family:Tahoma;
1080        mso-fareast-font-family:"Times New Roman";
1081        mso-fareast-theme-font:minor-fareast;
1082        mso-hansi-font-family:Tahoma;
1083        mso-bidi-font-family:Tahoma;}
1084span.SpellE
1085        {mso-style-name:"";
1086        mso-spl-e:yes;}
1087span.GramE
1088        {mso-style-name:"";
1089        mso-gram-e:yes;}
1090.MsoChpDefault
1091        {mso-style-type:export-only;
1092        mso-default-props:yes;
1093        font-size:10.0pt;
1094        mso-ansi-font-size:10.0pt;
1095        mso-bidi-font-size:10.0pt;
1096        font-family:"Calibri",sans-serif;
1097        mso-ascii-font-family:Calibri;
1098        mso-ascii-theme-font:minor-latin;
1099        mso-fareast-font-family:Calibri;
1100        mso-fareast-theme-font:minor-latin;
1101        mso-hansi-font-family:Calibri;
1102        mso-hansi-theme-font:minor-latin;
1103        mso-bidi-font-family:"Times New Roman";
1104        mso-bidi-theme-font:minor-bidi;}
1105@page WordSection1
1106        {size:8.5in 11.0in;
1107        margin:1.0in 1.0in 1.0in 1.0in;
1108        mso-header-margin:.5in;
1109        mso-footer-margin:.5in;
1110        mso-paper-source:0;}
1111div.WordSection1
1112        {page:WordSection1;}
1113 /* List Definitions */
1114 @list l0
1115        {mso-list-id:608973138;
1116        mso-list-type:hybrid;
1117        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1118@list l0:level1
1119        {mso-level-tab-stop:none;
1120        mso-level-number-position:left;
1121        text-indent:-.25in;}
1122@list l0:level2
1123        {mso-level-number-format:alpha-lower;
1124        mso-level-tab-stop:none;
1125        mso-level-number-position:left;
1126        text-indent:-.25in;}
1127@list l0:level3
1128        {mso-level-number-format:roman-lower;
1129        mso-level-tab-stop:none;
1130        mso-level-number-position:right;
1131        text-indent:-9.0pt;}
1132@list l0:level4
1133        {mso-level-tab-stop:none;
1134        mso-level-number-position:left;
1135        text-indent:-.25in;}
1136@list l0:level5
1137        {mso-level-number-format:alpha-lower;
1138        mso-level-tab-stop:none;
1139        mso-level-number-position:left;
1140        text-indent:-.25in;}
1141@list l0:level6
1142        {mso-level-number-format:roman-lower;
1143        mso-level-tab-stop:none;
1144        mso-level-number-position:right;
1145        text-indent:-9.0pt;}
1146@list l0:level7
1147        {mso-level-tab-stop:none;
1148        mso-level-number-position:left;
1149        text-indent:-.25in;}
1150@list l0:level8
1151        {mso-level-number-format:alpha-lower;
1152        mso-level-tab-stop:none;
1153        mso-level-number-position:left;
1154        text-indent:-.25in;}
1155@list l0:level9
1156        {mso-level-number-format:roman-lower;
1157        mso-level-tab-stop:none;
1158        mso-level-number-position:right;
1159        text-indent:-9.0pt;}
1160@list l1
1161        {mso-list-id:1471098845;
1162        mso-list-type:hybrid;
1163        mso-list-template-ids:-55685572 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1164@list l1:level1
1165        {mso-level-tab-stop:none;
1166        mso-level-number-position:left;
1167        text-indent:-.25in;}
1168@list l1:level2
1169        {mso-level-number-format:alpha-lower;
1170        mso-level-tab-stop:none;
1171        mso-level-number-position:left;
1172        text-indent:-.25in;}
1173@list l1:level3
1174        {mso-level-number-format:roman-lower;
1175        mso-level-tab-stop:none;
1176        mso-level-number-position:right;
1177        text-indent:-9.0pt;}
1178@list l1:level4
1179        {mso-level-tab-stop:none;
1180        mso-level-number-position:left;
1181        text-indent:-.25in;}
1182@list l1:level5
1183        {mso-level-number-format:alpha-lower;
1184        mso-level-tab-stop:none;
1185        mso-level-number-position:left;
1186        text-indent:-.25in;}
1187@list l1:level6
1188        {mso-level-number-format:roman-lower;
1189        mso-level-tab-stop:none;
1190        mso-level-number-position:right;
1191        text-indent:-9.0pt;}
1192@list l1:level7
1193        {mso-level-tab-stop:none;
1194        mso-level-number-position:left;
1195        text-indent:-.25in;}
1196@list l1:level8
1197        {mso-level-number-format:alpha-lower;
1198        mso-level-tab-stop:none;
1199        mso-level-number-position:left;
1200        text-indent:-.25in;}
1201@list l1:level9
1202        {mso-level-number-format:roman-lower;
1203        mso-level-tab-stop:none;
1204        mso-level-number-position:right;
1205        text-indent:-9.0pt;}
1206ol
1207        {margin-bottom:0in;}
1208ul
1209        {margin-bottom:0in;}
1210-->
1211</style>
1212<!--[if gte mso 10]>
1213<style>
1214 /* Style Definitions */
1215 table.MsoNormalTable
1216        {mso-style-name:"Table Normal";
1217        mso-tstyle-rowband-size:0;
1218        mso-tstyle-colband-size:0;
1219        mso-style-noshow:yes;
1220        mso-style-priority:99;
1221        mso-style-parent:"";
1222        mso-padding-alt:0in 5.4pt 0in 5.4pt;
1223        mso-para-margin:0in;
1224        mso-para-margin-bottom:.0001pt;
1225        mso-pagination:widow-orphan;
1226        font-size:10.0pt;
1227        font-family:"Calibri",sans-serif;
1228        mso-ascii-font-family:Calibri;
1229        mso-ascii-theme-font:minor-latin;
1230        mso-hansi-font-family:Calibri;
1231        mso-hansi-theme-font:minor-latin;
1232        mso-bidi-font-family:"Times New Roman";
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1236        mso-tstyle-rowband-size:0;
1237        mso-tstyle-colband-size:0;
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1239        mso-style-unhide:no;
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1241        mso-border-alt:solid windowtext .5pt;
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1252        mso-hansi-font-family:Calibri;
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1255<![endif]--><!--[if gte mso 9]><xml>
1256 <o:shapedefaults v:ext="edit" spidmax="1026"/>
1257</xml><![endif]--><!--[if gte mso 9]><xml>
1258 <o:shapelayout v:ext="edit">
1259  <o:idmap v:ext="edit" data="1"/>
1260 </o:shapelayout></xml><![endif]-->
1261</head>
1262
1263<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1264
1265<div class=WordSection1>
1266
1267<h1><a name="_Toc504374004">Neutron CW Powder Data - Yttrium Iron/</a><span
1268class=SpellE><span style='mso-bookmark:_Toc504374004'>Aluminium</span></span><span
1269style='mso-bookmark:_Toc504374004'> Garnet</span></h1>
1270
1271  <P><B>A video version of this tutorial is available at
1272<A href="https://anl.box.com/v/NeutronCWPowderData" target="_blank">
1273https://anl.box.com/v/NeutronCWPowderData</A></B></P>
1274
1275<p class=MsoNormal>In this tutorial you will refine the structure of yttrium
1276iron/aluminum garnet using constant wavelength neutron data. The structure is
1277cubic with four different atomic sites two of which are occupied by both iron
1278and aluminum. The data was taken on the D1a powder diffractometer at the ILL,
1279Grenoble, France using 1.909Å wavelength neutrons.</p>
1280
1281<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1282
1283<h2>Step 1: read in the data file</h2>
1284
1285<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1286style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1287style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1288the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1289mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1290minor-latin'>Import/Powder Data/from GSAS file</span></b> menu item to read the
1291data file into GSAS-II. This read option is set to read any of the powder data
1292formats (except neutron TOF time map files) defined for GSAS (angles in <span
1293class=SpellE>centidegrees</span>). Other submenu items will read the <span
1294class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1295"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1296minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span> format or
1297the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1298style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1299mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span>
1300format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span
1301style='mso-spacerun:yes'>  </span>Change the file directory to <span
1302class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1303"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1304minor-latin;mso-bidi-theme-font:minor-latin'>CWNeutron</span></b></span><b
1305style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1306mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1307minor-latin'>/data</span></b><span style='font-family:"Calibri",sans-serif;
1308mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1309minor-latin'> to find the file; you will need to change the file type to <b
1310style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find the desired
1311file.</span></p>
1312
1313<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1314style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1315style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1316the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1317style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1318mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>garnet.raw</span></b></span><span
1319style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1320mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span>
1321file in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1322style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1323mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.
1324There will be a Dialog box asking <b style='mso-bidi-font-weight:normal'><span
1325style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1326mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Is this the
1327file you want?</span></b> Press <b style='mso-bidi-font-weight:normal'><span
1328style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1329mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b>
1330button to proceed.</p>
1331
1332<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1333style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1334style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1335the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1336mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1337minor-latin'>inst_d1a.prm</span></b> instrument parameter file in the second
1338dialog and press <b style='mso-bidi-font-weight:normal'><span style='font-family:
1339"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1340minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>.</p>
1341
1342<p class=MsoNormal>At this point the left side of <b style='mso-bidi-font-weight:
1343normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1344minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1345Data Window</span></b> (the <b style='mso-bidi-font-weight:normal'><span
1346style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1347mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1348tree</span></b>) will have several entries and the plot window will show the
1349powder pattern</p>
1350
1351<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1352 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1353 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1354 <v:stroke joinstyle="miter"/>
1355 <v:formulas>
1356  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1357  <v:f eqn="sum @0 1 0"/>
1358  <v:f eqn="sum 0 0 @1"/>
1359  <v:f eqn="prod @2 1 2"/>
1360  <v:f eqn="prod @3 21600 pixelWidth"/>
1361  <v:f eqn="prod @3 21600 pixelHeight"/>
1362  <v:f eqn="sum @0 0 1"/>
1363  <v:f eqn="prod @6 1 2"/>
1364  <v:f eqn="prod @7 21600 pixelWidth"/>
1365  <v:f eqn="sum @8 21600 0"/>
1366  <v:f eqn="prod @7 21600 pixelHeight"/>
1367  <v:f eqn="sum @10 21600 0"/>
1368 </v:formulas>
1369 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1370 <o:lock v:ext="edit" aspectratio="t"/>
1371</v:shapetype><v:shape id="Picture_x0020_22" o:spid="_x0000_i1045" type="#_x0000_t75"
1372 style='width:456pt;height:390.75pt;visibility:visible;mso-wrap-style:square'>
1373 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image001.png" o:title=""/>
1374</v:shape><![endif]--><![if !vml]><img width=608 height=521
1375src="Neutron%20CW%20Powder%20Data_files/image016.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
1376
1377<h2>Step 2: Create the phase</h2>
1378
1379<p class=MsoNormal>Use the <b style='mso-bidi-font-weight:normal'><span
1380style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1381mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data/Add
1382phase</span></b> menu item to begin creation of the new phase for this garnet;
1383enter a phase name in the dialog box, we assume ‘<b style='mso-bidi-font-weight:
1384normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1385minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>garnet</span></b>’.
1386The default phase information will immediately be displayed.</p>
1387
1388<p class=MsoNormal style='margin-left:.25in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1389 id="Picture_x0020_2" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:443.25pt;
1390 height:284.25pt;visibility:visible;mso-wrap-style:square'>
1391 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image023.png" o:title=""/>
1392</v:shape><![endif]--><![if !vml]><img width=591 height=379
1393src="Neutron%20CW%20Powder%20Data_files/image017.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1394
1395<p class=MsoNormal>The<b style='mso-bidi-font-weight:normal'><span
1396style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1397mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> General</span></b>
1398tab is visible; scroll bars can be used or you can resize the window to see the
1399rest of the data. The <b style='mso-bidi-font-weight:normal'><span
1400style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1401mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase type</span></b>
1402is correctly set to “<b style='mso-bidi-font-weight:normal'><span
1403style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1404mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>nuclear</span></b>”;
1405other options can be used for other structural problems (e.g. magnetic or
1406faulted). Press the space group box (shows “P 1”), and enter the space group ‘<b
1407style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1408mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1409minor-latin'>I a 3 d</span></b>’ (spaces between axial fields are required in
1410GSAS-II) in the popup window and press <b style='mso-bidi-font-weight:normal'><span
1411style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1412mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>,
1413the space group information window will appear</p>
1414
1415<p class=MsoListParagraph><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1416 id="Picture_x0020_3" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:259.5pt;
1417 height:275.25pt;visibility:visible;mso-wrap-style:square'>
1418 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image003.png" o:title=""/>
1419</v:shape><![endif]--><![if !vml]><img width=346 height=367
1420src="Neutron%20CW%20Powder%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p>
1421
1422<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1423style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1424mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>
1425to exit. The <b style='mso-bidi-font-weight:normal'><span style='font-family:
1426"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1427minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> tab display
1428will change (principally changes in lattice parameter display). Enter the
1429lattice parameter for garnet (a=<b style='mso-bidi-font-weight:normal'><span
1430style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1431mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>12.19</span></b>)
1432in the appropriate field and press <b style='mso-bidi-font-weight:normal'><span
1433style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1434mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Enter</span></b>.
1435The display will change again to show the cell volume.</p>
1436
1437<p class=MsoNormal>Click on the <b style='mso-bidi-font-weight:normal'><span
1438style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1439mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
1440tab and select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1441"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1442minor-latin;mso-bidi-theme-font:minor-latin'>Edit Phase/Add powder histograms</span></b>
1443in the menu for this window. A <b style='mso-bidi-font-weight:normal'><span
1444style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1445mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Use data</span></b>
1446window will appear with only one choice <b style='mso-bidi-font-weight:normal'><span
1447style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1448mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PWDR <span
1449class=SpellE>garnet.raw</span>: BANK 1</span></b>. Select it and press <b
1450style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1451mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1452minor-latin'>OK</span></b>. The <b style='mso-bidi-font-weight:normal'><span
1453style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1454mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
1455tab will change<br>
1456<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4"
1457 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:468pt;height:240.75pt;
1458 visibility:visible;mso-wrap-style:square'>
1459 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image025.png" o:title=""/>
1460</v:shape><![endif]--><![if !vml]><img width=624 height=321
1461src="Neutron%20CW%20Powder%20Data_files/image018.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
1462
1463<p class=MsoNormal>This window is the home of parameters that are both phase
1464and data set dependent. These include phase fraction, crystallite size, <span
1465class=SpellE>mustrain</span> &amp; preferred orientation.</p>
1466
1467<h2>Step 3. Insert the atoms</h2>
1468
1469<p class=MsoNormal>Click on the <b style='mso-bidi-font-weight:normal'><span
1470style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1471mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
1472tab; this is where you will insert the atoms for the garnet structure. The 6
1473sets of atom coordinates are:</p>
1474
1475<table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0
1476 style='margin-left:30.2pt;border-collapse:collapse;border:none;mso-border-alt:
1477 solid windowtext .5pt;mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'>
1478 <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes'>
1479  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1480  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1481  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1482  mso-add-space:auto;text-align:center'>TYPE</p>
1483  </td>
1484  <td width=120 valign=top style='width:1.25in;border:solid windowtext 1.0pt;
1485  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1486  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1487  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1488  mso-add-space:auto;text-align:center'>X</p>
1489  </td>
1490  <td width=126 valign=top style='width:94.5pt;border:solid windowtext 1.0pt;
1491  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1492  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1493  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1494  mso-add-space:auto;text-align:center'>Y</p>
1495  </td>
1496  <td width=114 valign=top style='width:85.5pt;border:solid windowtext 1.0pt;
1497  border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt:
1498  solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1499  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1500  mso-add-space:auto;text-align:center'>Z</p>
1501  </td>
1502 </tr>
1503 <tr style='mso-yfti-irow:1'>
1504  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1505  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1506  padding:0in 5.4pt 0in 5.4pt'>
1507  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1508  mso-add-space:auto;text-align:center'>Y</p>
1509  </td>
1510  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1511  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1512  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1513  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1514  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1515  mso-add-space:auto;text-align:center'>0.12500</p>
1516  </td>
1517  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1518  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1519  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1520  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1521  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1522  mso-add-space:auto;text-align:center'>0. 00000</p>
1523  </td>
1524  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1525  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1526  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1527  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1528  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1529  mso-add-space:auto;text-align:center'>0. 25000</p>
1530  </td>
1531 </tr>
1532 <tr style='mso-yfti-irow:2'>
1533  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1534  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1535  padding:0in 5.4pt 0in 5.4pt'>
1536  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1537  mso-add-space:auto;text-align:center'>FE</p>
1538  </td>
1539  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1540  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1541  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1542  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1543  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1544  mso-add-space:auto;text-align:center'>0.00000</p>
1545  </td>
1546  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1547  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1548  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1549  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1550  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1551  mso-add-space:auto;text-align:center'>0.00000</p>
1552  </td>
1553  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1554  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1555  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1556  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1557  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1558  mso-add-space:auto;text-align:center'>0.00000</p>
1559  </td>
1560 </tr>
1561 <tr style='mso-yfti-irow:3'>
1562  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1563  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1564  padding:0in 5.4pt 0in 5.4pt'>
1565  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1566  mso-add-space:auto;text-align:center'>AL</p>
1567  </td>
1568  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1569  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1570  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1571  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1572  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1573  mso-add-space:auto;text-align:center'>0.00000</p>
1574  </td>
1575  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1576  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1577  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1578  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1579  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1580  mso-add-space:auto;text-align:center'>0.00000</p>
1581  </td>
1582  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1583  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1584  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1585  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1586  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1587  mso-add-space:auto;text-align:center'>0.00000</p>
1588  </td>
1589 </tr>
1590 <tr style='mso-yfti-irow:4'>
1591  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1592  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1593  padding:0in 5.4pt 0in 5.4pt'>
1594  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1595  mso-add-space:auto;text-align:center'>AL</p>
1596  </td>
1597  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1598  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1599  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1600  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1601  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1602  mso-add-space:auto;text-align:center'>0.37500</p>
1603  </td>
1604  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1605  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1606  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1607  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1608  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1609  mso-add-space:auto;text-align:center'>0.00000</p>
1610  </td>
1611  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1612  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1613  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1614  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1615  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1616  mso-add-space:auto;text-align:center'>0.25000</p>
1617  </td>
1618 </tr>
1619 <tr style='mso-yfti-irow:5'>
1620  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1621  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1622  padding:0in 5.4pt 0in 5.4pt'>
1623  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1624  mso-add-space:auto;text-align:center'>FE</p>
1625  </td>
1626  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1627  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1628  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1629  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1630  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1631  mso-add-space:auto;text-align:center'>0.37500</p>
1632  </td>
1633  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1634  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1635  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1636  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1637  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1638  mso-add-space:auto;text-align:center'>0.00000</p>
1639  </td>
1640  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1641  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1642  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1643  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1644  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1645  mso-add-space:auto;text-align:center'>0.25000</p>
1646  </td>
1647 </tr>
1648 <tr style='mso-yfti-irow:6;mso-yfti-lastrow:yes'>
1649  <td width=107 valign=top style='width:80.6pt;border:solid windowtext 1.0pt;
1650  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
1651  padding:0in 5.4pt 0in 5.4pt'>
1652  <p class=MsoListParagraphCxSpFirst align=center style='margin-left:0in;
1653  mso-add-space:auto;text-align:center'>O</p>
1654  </td>
1655  <td width=120 valign=top style='width:1.25in;border-top:none;border-left:
1656  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1657  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1658  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1659  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1660  mso-add-space:auto;text-align:center'>-0.03000</p>
1661  </td>
1662  <td width=126 valign=top style='width:94.5pt;border-top:none;border-left:
1663  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1664  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1665  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1666  <p class=MsoListParagraphCxSpMiddle align=center style='margin-left:0in;
1667  mso-add-space:auto;text-align:center'>0.05000</p>
1668  </td>
1669  <td width=114 valign=top style='width:85.5pt;border-top:none;border-left:
1670  none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt;
1671  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
1672  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
1673  <p class=MsoListParagraphCxSpLast align=center style='margin-left:0in;
1674  mso-add-space:auto;text-align:center'>0.15000</p>
1675  </td>
1676 </tr>
1677</table>
1678
1679<p class=MsoNormal>To begin use the <b style='mso-bidi-font-weight:normal'><span
1680style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1681mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit/Append
1682atom</span></b> in the menu on the <b style='mso-bidi-font-weight:normal'><span
1683style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1684mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
1685tab 6 times to create the default set of atom places in the table; the table
1686will look like</p>
1687
1688<p class=MsoNormal style='text-indent:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1689 id="Picture_x0020_5" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:430.5pt;
1690 height:152.25pt;visibility:visible;mso-wrap-style:square'>
1691 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image027.png" o:title=""/>
1692</v:shape><![endif]--><![if !vml]><img width=574 height=203
1693src="Neutron%20CW%20Powder%20Data_files/image020.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
1694
1695<p class=MsoNormal>Then for each atom to be inserted, double click on the “<b
1696style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1697mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1698minor-latin'>H</span></b>” in the <b style='mso-bidi-font-weight:normal'><span
1699style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1700mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Type</span></b>
1701column; a Periodic Table will appear</p>
1702
1703<p class=MsoNormal style='text-indent:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1704 id="Picture_x0020_6" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:430.5pt;
1705 height:125.25pt;visibility:visible;mso-wrap-style:square'>
1706 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image029.png" o:title=""/>
1707</v:shape><![endif]--><![if !vml]><img width=574 height=167
1708src="Neutron%20CW%20Powder%20Data_files/image022.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1709
1710<p class=MsoNormal>Each element has a small pull down selection for the
1711possible valences (usually choose the “zero” one). Select “<b style='mso-bidi-font-weight:
1712normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1713minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Y</span></b>”,
1714the Table will vanish and the <b style='mso-bidi-font-weight:normal'><span
1715style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1716mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Name</span></b>
1717and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1718mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1719minor-latin'>Type</span></b> for that atom will change. Then enter the values
1720for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1721mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1722minor-latin'>x</span></b>, <b style='mso-bidi-font-weight:normal'><span
1723style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1724mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>y</span></b>
1725and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1726mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1727minor-latin'>z</span></b>; you can use Tab to move to the next one. You may use
1728fractions for the atom coordinates (e.g. 1/4, 3/8). Do this for each atom in
1729the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1730mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1731minor-latin'>Atoms</span></b> table. NB: be careful about the signs for the
1732O-atom positions. You can leave both <span class=SpellE><b style='mso-bidi-font-weight:
1733normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1734minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span>
1735and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1736style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1737mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Uiso</span></b></span>
1738at the default values. Your result should look like</p>
1739
1740<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1741 id="Picture_x0020_23" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:468pt;
1742 height:153pt;visibility:visible;mso-wrap-style:square'>
1743 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image007.png" o:title=""/>
1744</v:shape><![endif]--><![if !vml]><img width=624 height=204
1745src="Neutron%20CW%20Powder%20Data_files/image024.png" v:shapes="Picture_x0020_23"><![endif]></span><br
1746clear=all>
1747You can now do your first Rietveld refinement on this problem. To do this, do <b
1748style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1749mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1750minor-latin'>Calculate/Refine</span></b> in the left side of the menu; a file
1751dialog will ask you for a name for this project; you can change the directory
1752if you wish. We assume the name “<b style='mso-bidi-font-weight:normal'><span
1753style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1754mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>YAG</span></b>”;
1755the current project will be saved as <span class=SpellE><b style='mso-bidi-font-weight:
1756normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1757minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>YAG.gpx</span></b></span>
1758and the first backup file (<b style='mso-bidi-font-weight:normal'><span
1759style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1760mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>YAG.bak0.gpx</span></b>)
1761will also be created and then the Rietveld refinement will be performed. By
1762default, only the histogram scale factor (found under <b style='mso-bidi-font-weight:
1763normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1764minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample
1765Parameters</span></b> for <b style='mso-bidi-font-weight:normal'><span
1766style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1767mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PWDR <span
1768class=SpellE>garnet.raw</span>: BANK1</span></b> in the <b style='mso-bidi-font-weight:
1769normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1770minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1771data tree</span></b>) and 3 background coefficients are refined. The resulting
1772powder pattern</p>
1773
1774<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1775 id="Picture_x0020_8" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:465pt;
1776 height:333pt;visibility:visible;mso-wrap-style:square'>
1777 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image008.png" o:title=""/>
1778</v:shape><![endif]--><![if !vml]><img width=620 height=444
1779src="Neutron%20CW%20Powder%20Data_files/image026.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
1780
1781<p class=MsoNormal><span class=GramE>shows</span> a pretty poor fit (<span
1782class=SpellE>Rwp</span> ~39%) and details can be found in the <span
1783class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1784"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1785minor-latin;mso-bidi-theme-font:minor-latin'>YAG.lst</span></b></span> file.
1786What appears to be in error includes some structural features (I’d first
1787suspect site fractions for the Fe/Al sites) and something about the peak
1788positions (may be lattice parameter). We can introduce all these parameters
1789now.</p>
1790
1791<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span
1792style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1793style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
1794to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1795mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1796minor-latin'>Phases/garnet</span></b> and check <b style='mso-bidi-font-weight:
1797normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1798minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine
1799unit cell</span></b> in the <b style='mso-bidi-font-weight:normal'><span
1800style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1801mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b>
1802tab.</p>
1803
1804<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span
1805style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1806style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1807go to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1808mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1809minor-latin'>Constraints</span></b> in the main part of the <b
1810style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1811mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1812minor-latin'>GSAS-II data tree</span></b> (near the top). You will see an empty
1813window with 3 tabs; <b style='mso-bidi-font-weight:normal'><span
1814style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1815mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase</span></b>
1816is the one you want. Select <b style='mso-bidi-font-weight:normal'><span
1817style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1818mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit Constr<span
1819class=GramE>./</span>Add equivalence</span></b> from the menu. You will see the
1820following new window</p>
1821
1822<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1823 id="Picture_x0020_28" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:423pt;
1824 height:270pt;visibility:visible;mso-wrap-style:square'>
1825 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image033.png" o:title=""/>
1826</v:shape><![endif]--><![if !vml]><img width=564 height=360
1827src="Neutron%20CW%20Powder%20Data_files/image028.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1828
1829<p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
1830style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1831mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1832minor-latin'>0::AUiso:1 for Fe2…</span></b> and press <b style='mso-bidi-font-weight:
1833normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1834minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
1835a new window will appear</p>
1836
1837<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1838 id="Picture_x0020_10" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:423.75pt;
1839 height:202.5pt;visibility:visible;mso-wrap-style:square'>
1840 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image034.png" o:title=""/>
1841</v:shape><![endif]--><![if !vml]><img width=565 height=270
1842src="Neutron%20CW%20Powder%20Data_files/image030.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
1843
1844<p class=MsoListParagraphCxSpMiddle><span class=GramE>select</span> <b
1845style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1846mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1847minor-latin'>0::AUiso:2 for Al3</span></b> and press <b style='mso-bidi-font-weight:
1848normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1849minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1850That will form the first equivalence you need between the Fe and Al atoms that
1851occupy the atom site at 0,0,0 in the cell. This shows up in the <b
1852style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1853mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1854minor-latin'>Constraints</span></b> window.</p>
1855
1856<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1857 id="Picture_x0020_30" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:416.25pt;
1858 height:147pt;visibility:visible;mso-wrap-style:square'>
1859 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image036.png" o:title=""/>
1860</v:shape><![endif]--><![if !vml]><img width=555 height=196
1861src="Neutron%20CW%20Powder%20Data_files/image031.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1862
1863<p class=MsoListParagraphCxSpMiddle>Now do the same for the atoms <b
1864style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1865mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1866minor-latin'>0:<span class=GramE>:AUiso:3</span> for Al4</span></b> and <b
1867style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1868mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1869minor-latin'>0::AUiso:4 for Fe5</span></b> to make that pair of atoms have the
1870same <span class=SpellE>Uiso</span>.</p>
1871
1872<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span
1873style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1874style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Next
1875select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1876mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1877minor-latin'>Edit Constr<span class=GramE>./</span>Add constraint equation</span></b>.
1878A now familiar window will appear; select <b style='mso-bidi-font-weight:normal'><span
1879style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1880mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0:<span
1881class=GramE>:Afrac:1</span> for Fe2</span></b> and press OK. Again you will see
1882the same second window; select <b style='mso-bidi-font-weight:normal'><span
1883style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1884mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0:<span
1885class=GramE>:Afrac:2</span> for Al3</span></b> and press <b style='mso-bidi-font-weight:
1886normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1887minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.
1888Do the same thing for <b style='mso-bidi-font-weight:normal'><span
1889style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1890mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0:<span
1891class=GramE>:Afrac:3</span> for Al4</span></b> – you may have to scroll down
1892the list to see this – and <b style='mso-bidi-font-weight:normal'><span
1893style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1894mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0::Afrac:4
1895for Fe5</span></b>. When done the <b style='mso-bidi-font-weight:normal'><span
1896style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1897mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Constraints</span></b>
1898window should look like</p>
1899
1900<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1901 id="Picture_x0020_31" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:421.5pt;
1902 height:149.25pt;visibility:visible;mso-wrap-style:square'>
1903 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image038.png" o:title=""/>
1904</v:shape><![endif]--><![if !vml]><img width=562 height=199
1905src="Neutron%20CW%20Powder%20Data_files/image032.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1906
1907<p class=MsoListParagraphCxSpMiddle>This process set the
1908equivalences/constraints for the two Fe/Al sites in the garnet so that
1909refinement of <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1910style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1911mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span>
1912and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1913style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1914mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Uiso</span></b></span>
1915will succeed. GSAS-II constraints will correct the site fractions and <span
1916class=SpellE>Uiso</span> values so that they conform to the constraints as
1917written. You need not be concerned about their starting values beforehand. Also
1918note the way each parameter was named; the general form is <b style='mso-bidi-font-weight:
1919normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1920minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>p:h:name:num</span></b>
1921where <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1922mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1923minor-latin'>p</span></b> is a phase number, <b style='mso-bidi-font-weight:
1924normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1925minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>h</span></b>
1926is a histogram number, <b style='mso-bidi-font-weight:normal'><span
1927style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1928mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>name</span></b>
1929is the parameter name and <span class=SpellE><b style='mso-bidi-font-weight:
1930normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1931minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>num</span></b></span>
1932is an optional number (e.g. an atom number).</p>
1933
1934<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span
1935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Go
1937to the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1938mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1939minor-latin'>Phases/garnet</span></b> item in the <b style='mso-bidi-font-weight:
1940normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1941minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II
1942data tree</span></b> and select the <b style='mso-bidi-font-weight:normal'><span
1943style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1944mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b>
1945tab. Note the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1946style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1947mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span>
1948values are unchanged from what you originally entered. Don’t worry, they will
1949be corrected in the next refinement. We now have to set the refinement of <span
1950class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1951"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1952minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span> for the
1953Fe/Al sites. There are many ways to do this, we will show you one method now.
1954Select row <b style='mso-bidi-font-weight:normal'><span style='font-family:
1955"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1956minor-latin;mso-bidi-theme-font:minor-latin'>1</span></b> for Fe(2) and then
1957holding the Ctrl key down select rows <b style='mso-bidi-font-weight:normal'><span
1958style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1959mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>2-4</span></b>;
1960they will appear all blue or gray. Next select <b style='mso-bidi-font-weight:
1961normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1962minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
1963Atoms/On selected atoms…/Refine selected;</span></b> a new window will appear</p>
1964
1965<p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1966 id="Picture_x0020_32" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:171.75pt;
1967 height:150pt;visibility:visible;mso-wrap-style:square'>
1968 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image040.png" o:title=""/>
1969</v:shape><![endif]--><![if !vml]><img width=229 height=200
1970src="Neutron%20CW%20Powder%20Data_files/image040.png" v:shapes="Picture_x0020_32"><![endif]></span><span
1971style='mso-spacerun:yes'> </span></p>
1972
1973<p class=MsoListParagraphCxSpMiddle>For now select <b style='mso-bidi-font-weight:
1974normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1975minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>F
1976– site fraction</span></b>. You could select all three, GSAS-II would refine <span
1977class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1978"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1979minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span> &amp; <span
1980class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1981"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1982minor-latin;mso-bidi-theme-font:minor-latin'>Uiso</span></b></span> but not the
1983coordinates as they are fixed as special positions in this case. The <b
1984style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1985mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1986minor-latin'>Atom</span></b> window will have an <b style='mso-bidi-font-weight:
1987normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1988minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>F</span></b>
1989in the refine column each of these atoms.</p>
1990
1991<p class=MsoListParagraphCxSpLast><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1992 id="Picture_x0020_33" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:425.25pt;
1993 height:150.75pt;visibility:visible;mso-wrap-style:square'>
1994 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image041.png" o:title=""/>
1995</v:shape><![endif]--><![if !vml]><img width=567 height=201
1996src="Neutron%20CW%20Powder%20Data_files/image035.png" v:shapes="Picture_x0020_33"><![endif]></span><span
1997style='mso-spacerun:yes'> </span></p>
1998
1999<p class=MsoNormal>You are now ready for your second Rietveld refinement;
2000select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2001mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2002minor-latin'>Calculate/Refine</span></b> from the left side of the menu bar.
2003There is now a much better fit with <span class=SpellE>Rwp</span> ~12% and a
2004powder pattern that looks like (select PWDR <span class=SpellE>garnet.raw</span>
2005from the GSAS-II data tree to see it)</p>
2006
2007<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2008 id="Picture_x0020_29" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:457.5pt;
2009 height:392.25pt;visibility:visible;mso-wrap-style:square'>
2010 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image015.png" o:title=""/>
2011</v:shape><![endif]--><![if !vml]><img width=610 height=523
2012src="Neutron%20CW%20Powder%20Data_files/image037.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
2013
2014<p class=MsoNormal>There appears to be some differences in peak intensities and
2015an interesting offset at the low end of the pattern. Let us add the remaining
2016atom parameters (<span class=SpellE>Uiso</span> for each and the O(xyz)
2017parameters. Go to <b style='mso-bidi-font-weight:normal'><span
2018style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2019mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phases/garnet</span></b>
2020and select the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2021"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2022minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> tab.</p>
2023
2024<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2025 id="Picture_x0020_24" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:458.25pt;
2026 height:165.75pt;visibility:visible;mso-wrap-style:square'>
2027 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image014.png" o:title=""/>
2028</v:shape><![endif]--><![if !vml]><img width=611 height=221
2029src="Neutron%20CW%20Powder%20Data_files/image039.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
2030
2031<p class=MsoNormal>Notice that the <span class=SpellE><b style='mso-bidi-font-weight:
2032normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2033minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>frac</span></b></span>
2034values for the Fe/Al atoms now conform to the constraints. For each atom in
2035turn, double click on the refine box. A pull down list will appear, select <b
2036style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2037mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2038minor-latin'>U</span></b> for the Y atom, <b style='mso-bidi-font-weight:normal'><span
2039style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2040mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>FU</span></b>
2041for Fe/Al atoms and <b style='mso-bidi-font-weight:normal'><span
2042style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2043mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>XU</span></b>
2044for the O atom. Your list should look like</p>
2045
2046<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2047 id="Picture_x0020_25" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:459.75pt;
2048 height:166.5pt;visibility:visible;mso-wrap-style:square'>
2049 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image044.png" o:title=""/>
2050</v:shape><![endif]--><![if !vml]><img width=613 height=222
2051src="Neutron%20CW%20Powder%20Data_files/image042.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
2052
2053<p class=MsoNormal><span class=GramE>when</span> done. Now you can do your
2054third Rietveld refinement; select <b style='mso-bidi-font-weight:normal'><span
2055style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2056mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b>.
2057The resulting fit is</p>
2058
2059<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2060 id="Picture_x0020_40" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:458.25pt;
2061 height:350.25pt;visibility:visible;mso-wrap-style:square'>
2062 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image019.png" o:title=""/>
2063</v:shape><![endif]--><![if !vml]><img width=611 height=467
2064src="Neutron%20CW%20Powder%20Data_files/image050.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
2065
2066<p class=MsoNormal>with <span class=SpellE>Rwp</span> ~10%. There is still an
2067apparent peak offset at the ends of the pattern and perhaps some misfit of the
2068peak widths.</p>
2069
2070<p class=MsoNormal>The latter are determined by the U, V &amp; W parameters
2071found in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2072"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2073minor-latin;mso-bidi-theme-font:minor-latin'>PWDR <span class=SpellE>garnet.raw</span>:
2074BANK1/Instrument Parameters</span></b> window. Go there and select their <b
2075style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2076mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
2077flags. Next go to <b style='mso-bidi-font-weight:normal'><span
2078style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2079mso-hansi-theme-font:minor-latin'>Sample Parameters</span></b>.</p>
2080
2081<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2082 id="Picture_x0020_26" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;
2083 height:169.5pt;visibility:visible;mso-wrap-style:square'>
2084 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image046.png" o:title=""/>
2085</v:shape><![endif]--><![if !vml]><img width=624 height=226
2086src="Neutron%20CW%20Powder%20Data_files/image051.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
2087
2088<p class=MsoNormal>Notice that the Histogram scale factor is already being
2089refined. Now you will want to refine both <b style='mso-bidi-font-weight:normal'><span
2090style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2091mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample X
2092displacement</span></b> and <b style='mso-bidi-font-weight:normal'><span
2093style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2094mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample Y
2095displacement</span></b>. The values will be in <span style='font-family:Symbol'>m</span>m
2096if the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2097mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2098minor-latin'>Goniometer radius</span></b> is correct; enter 650 for that value.
2099Now you can do another Rietveld refinement; the fit</p>
2100
2101<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2102 id="Picture_x0020_42" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;
2103 height:357.75pt;visibility:visible;mso-wrap-style:square'>
2104 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image021.png" o:title=""/>
2105</v:shape><![endif]--><![if !vml]><img width=624 height=477
2106src="Neutron%20CW%20Powder%20Data_files/image052.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
2107
2108<p class=MsoNormal>is nearly perfect! <span class=SpellE>Rwp</span> = 5.18%.
2109You can look at the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
2110style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2111mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>YAG.lst</span></b></span>
2112output file for all the parameters and their respective <span class=SpellE>esds</span>.
2113I’ve pasted some of my results in below for you to compare.</p>
2114
2115<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>Refinement
2116results:<o:p></o:p></span></p>
2117
2118<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
2119
2120<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2121style='mso-spacerun:yes'> </span>Number of function calls: <span class=GramE>7<span
2122style='mso-spacerun:yes'>  </span>Number</span> of observations:<span
2123style='mso-spacerun:yes'>  </span>2677<span style='mso-spacerun:yes'> 
2124</span>Number of parameters:<span style='mso-spacerun:yes'>  </span>20<o:p></o:p></span></p>
2125
2126<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2127style='mso-spacerun:yes'> </span>Refinement time =<span
2128style='mso-spacerun:yes'>    </span>3.448s,<span style='mso-spacerun:yes'>   
2129</span>0.862s/cycle, for 4 cycles<o:p></o:p></span></p>
2130
2131<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2132style='mso-spacerun:yes'> </span><span class=SpellE>wR</span> =<span
2133style='mso-spacerun:yes'>    </span>5.18%, chi**2 =<span
2134style='mso-spacerun:yes'>      </span>10072.9, reduced chi**2 =<span
2135style='mso-spacerun:yes'>   </span>3.79<o:p></o:p></span></p>
2136
2137<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
2138
2139<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>Variables
2140generated by constraints<o:p></o:p></span></p>
2141
2142<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2143
2144<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2145style='mso-spacerun:yes'> </span>name<span style='mso-spacerun:yes'> 
2146</span>:<span style='mso-spacerun:yes'>     </span>0::AUiso:1<span
2147style='mso-spacerun:yes'>     </span>0::AUiso:3<span
2148style='mso-spacerun:yes'>          </span>0::A0<span
2149style='mso-spacerun:yes'>      </span>::constr0<span
2150style='mso-spacerun:yes'>      </span>::constr1<o:p></o:p></span></p>
2151
2152<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2153style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
2154style='mso-spacerun:yes'>         </span>0.0035<span
2155style='mso-spacerun:yes'>        </span>-0.0004<span
2156style='mso-spacerun:yes'>         </span>0.0067<span
2157style='mso-spacerun:yes'>       </span><span
2158style='mso-spacerun:yes'> </span>-0.1083<span style='mso-spacerun:yes'>       
2159</span>-0.2843<o:p></o:p></span></p>
2160
2161<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2162style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2163style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>        
2164</span>0.0006<span style='mso-spacerun:yes'>         </span>0.0007<span
2165style='mso-spacerun:yes'>         </span>0.0000<span
2166style='mso-spacerun:yes'>         </span>0.0127<span
2167style='mso-spacerun:yes'>         </span>0.0104<o:p></o:p></span></p>
2168
2169<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2170
2171<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2172style='mso-spacerun:yes'> </span>Phases:<o:p></o:p></span></p>
2173
2174<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2175style='mso-spacerun:yes'> </span>Result for phase:<span
2176style='mso-spacerun:yes'>  </span>garnet<o:p></o:p></span></p>
2177
2178<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2179style='mso-spacerun:yes'> </span>Reciprocal metric tensor: <o:p></o:p></span></p>
2180
2181<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2182style='mso-spacerun:yes'>  </span><span class=GramE>names :</span><span
2183style='mso-spacerun:yes'>            </span>A11<span
2184style='mso-spacerun:yes'>            </span>A22<span
2185style='mso-spacerun:yes'>            </span>A33<span
2186style='mso-spacerun:yes'>            </span>A12<span
2187style='mso-spacerun:yes'>            </span>A13<span
2188style='mso-spacerun:yes'>            </span>A23<o:p></o:p></span></p>
2189
2190<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2191style='mso-spacerun:yes'>  </span>values:<span style='mso-spacerun:yes'>   
2192</span>0.006738782<span style='mso-spacerun:yes'>    </span>0.006738782<span
2193style='mso-spacerun:yes'>    </span>0.006738782<span
2194style='mso-spacerun:yes'>    </span>0.000000000<span
2195style='mso-spacerun:yes'>    </span>0.000000000<span
2196style='mso-spacerun:yes'>    </span>0.000000000<o:p></o:p></span></p>
2197
2198<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2199style='mso-spacerun:yes'>  </span><span class=SpellE><span class=GramE>esds</span></span><span
2200class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
2201style='mso-spacerun:yes'>    </span>0.000000268<span
2202style='mso-spacerun:yes'>                                                                          
2203</span><o:p></o:p></span></p>
2204
2205<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2206style='mso-spacerun:yes'> </span>New unit cell:<o:p></o:p></span></p>
2207
2208<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2209style='mso-spacerun:yes'>  </span><span class=GramE>names :</span><span
2210style='mso-spacerun:yes'>           </span>a<span style='mso-spacerun:yes'> 
2211</span><span style='mso-spacerun:yes'>         </span>b<span
2212style='mso-spacerun:yes'>           </span>c<span
2213style='mso-spacerun:yes'>       </span>alpha<span
2214style='mso-spacerun:yes'>        </span>beta<span
2215style='mso-spacerun:yes'>       </span>gamma<span
2216style='mso-spacerun:yes'>      </span>Volume<o:p></o:p></span></p>
2217
2218<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2219style='mso-spacerun:yes'>  </span>values:<span style='mso-spacerun:yes'>  
2220</span>12.181739<span style='mso-spacerun:yes'>   </span>12.181739<span
2221style='mso-spacerun:yes'>   </span>12.181739<span style='mso-spacerun:yes'>    
2222</span>90.0000<span style='mso-spacerun:yes'>     </span>90.0000<span
2223style='mso-spacerun:yes'>     </span>90.0000<span style='mso-spacerun:yes'>   
2224</span>1807.706<o:p></o:p></span></p>
2225
2226<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2227style='mso-spacerun:yes'>  </span><span class=SpellE><span class=GramE>esds</span></span><span
2228class=GramE><span style='mso-spacerun:yes'>  </span>:</span><span
2229style='mso-spacerun:yes'>    </span>0.000242<span
2230style='mso-spacerun:yes'>                                                                  
2231</span>0.036<o:p></o:p></span></p>
2232
2233<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2234
2235<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2236style='mso-spacerun:yes'> </span>Atoms:<o:p></o:p></span></p>
2237
2238<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2239style='mso-spacerun:yes'>   </span>name<span style='mso-spacerun:yes'>     
2240</span>x<span style='mso-spacerun:yes'>         </span>y<span
2241style='mso-spacerun:yes'>         </span>z<span style='mso-spacerun:yes'>     
2242</span><span class=SpellE>frac</span><span style='mso-spacerun:yes'>   </span><span
2243class=SpellE>Uiso</span><span style='mso-spacerun:yes'>     </span>U11<span
2244style='mso-spacerun:yes'>     </span>U22<span style='mso-spacerun:yes'>    
2245</span>U33<span style='mso-spacerun:yes'>     </span>U12<span
2246style='mso-spacerun:yes'>     </span>U13<span style='mso-spacerun:yes'>    
2247</span>U23<o:p></o:p></span></p>
2248
2249<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
2250
2251<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2252style='mso-spacerun:yes'>   </span><span class=GramE>Y(</span>1) <span
2253style='mso-spacerun:yes'>     </span>Y:<o:p></o:p></span></p>
2254
2255<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2256style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
2257</span>0.12500<span style='mso-spacerun:yes'>   </span>0.00000<span
2258style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
2259</span>1.000 0.00442<o:p></o:p></span></p>
2260
2261<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2262style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2263style='mso-spacerun:yes'>   </span>:<span
2264style='mso-spacerun:yes'>                                       </span>0.00035<o:p></o:p></span></p>
2265
2266<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2267style='mso-spacerun:yes'>  </span><span class=GramE>Fe(</span>2)<span
2268style='mso-spacerun:yes'>     </span>Fe:<o:p></o:p></span></p>
2269
2270<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2271style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
2272</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
2273style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
2274</span>0.577 0.00347<o:p></o:p></span></p>
2275
2276<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2277style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2278style='mso-spacerun:yes'>   </span>:<span
2279style='mso-spacerun:yes'>                                 </span>0.009 0.00059<o:p></o:p></span></p>
2280
2281<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2282style='mso-spacerun:yes'>  </span><span class=GramE>Al(</span>3)<span
2283style='mso-spacerun:yes'>     </span>Al:<o:p></o:p></span></p>
2284
2285<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2286style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
2287</span>0.00000<span style='mso-spacerun:yes'>   </span>0.00000<span
2288style='mso-spacerun:yes'>   </span>0.00000<span style='mso-spacerun:yes'>  
2289</span>0.423 0.00347<o:p></o:p></span></p>
2290
2291<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2292style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2293style='mso-spacerun:yes'>   </span>:<span
2294style='mso-spacerun:yes'>                                 </span>0.009 0.00059<o:p></o:p></span></p>
2295
2296<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2297style='mso-spacerun:yes'>  </span><span class=GramE>Al(</span>4)<span
2298style='mso-spacerun:yes'>     </span>Al:<o:p></o:p></span></p>
2299
2300<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2301style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
2302</span>0.37500<span style='mso-spacerun:yes'>   </span>0.00000<span
2303style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
2304</span>0.701-0.00041<o:p></o:p></span></p>
2305
2306<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2307style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2308style='mso-spacerun:yes'>   </span>:<span
2309style='mso-spacerun:yes'>                                 </span>0.007 0.00074<o:p></o:p></span></p>
2310
2311<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2312style='mso-spacerun:yes'>  </span><span class=GramE>Fe(</span>5)<span
2313style='mso-spacerun:yes'>     </span>Fe:<o:p></o:p></span></p>
2314
2315<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2316style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>  
2317</span>0.37500<span style='mso-spacerun:yes'>   </span>0.00000<span
2318style='mso-spacerun:yes'>   </span>0.25000<span style='mso-spacerun:yes'>  
2319</span>0.299-0.00041<o:p></o:p></span></p>
2320
2321<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2322style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2323style='mso-spacerun:yes'>   </span>:<span
2324style='mso-spacerun:yes'>                                 </span>0.007 0.00074<o:p></o:p></span></p>
2325
2326<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2327style='mso-spacerun:yes'>   </span><span class=GramE>O(</span>6)<span
2328style='mso-spacerun:yes'>      </span>O:<o:p></o:p></span></p>
2329
2330<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2331style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'> 
2332</span>-0.02942<span style='mso-spacerun:yes'>   </span>0.05390<span
2333style='mso-spacerun:yes'>   </span>0.15059<span style='mso-spacerun:yes'>  
2334</span>1.000 0.00472<o:p></o:p></span></p>
2335
2336<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2337style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2338style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>  
2339</span>0.00006<span style='mso-spacerun:yes'>   </span>0.00006<span
2340style='mso-spacerun:yes'>   </span>0.00007<span
2341style='mso-spacerun:yes'>         </span>0.00027<o:p></o:p></span></p>
2342
2343<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2344
2345<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2346style='mso-spacerun:yes'> </span>Phase:<span style='mso-spacerun:yes'>  </span><span
2347class=GramE>garnet<span style='mso-spacerun:yes'>  </span>in</span>
2348histogram:<span style='mso-spacerun:yes'>  </span>PWDR <span class=SpellE>garnet.raw</span>
2349Bank 1<o:p></o:p></span></p>
2350
2351<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>----------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
2352
2353<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2354style='mso-spacerun:yes'> </span>Final refinement RF, RF^2 = 2.27%, 3.70% on 89
2355reflections<o:p></o:p></span></p>
2356
2357<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2358style='mso-spacerun:yes'> </span>Bragg intensity sum = 2.74e+05<o:p></o:p></span></p>
2359
2360<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2361
2362<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2363style='mso-spacerun:yes'> </span>Histogram:<span style='mso-spacerun:yes'> 
2364</span>PWDR <span class=SpellE>garnet.raw</span> Bank <span class=GramE>1<span
2365style='mso-spacerun:yes'>  </span>histogram</span> Id:<span
2366style='mso-spacerun:yes'>  </span>0<o:p></o:p></span></p>
2367
2368<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'>---------------------------------------------------------------------------------------------------------------------------------------<o:p></o:p></span></p>
2369
2370<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2371style='mso-spacerun:yes'> </span>PWDR histogram weight factor = 1.000<o:p></o:p></span></p>
2372
2373<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2374style='mso-spacerun:yes'> </span>Final refinement <span class=SpellE>wR</span>
2375= 5.18% on 2677 observations in this histogram<o:p></o:p></span></p>
2376
2377<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2378style='mso-spacerun:yes'> </span>Other residuals: R = 4.22%, <span
2379class=SpellE>Rb</span> = 3.40%, <span class=SpellE>wRb</span> = 3.55% <span
2380class=SpellE>wRmin</span> = 2.67%<o:p></o:p></span></p>
2381
2382<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2383style='mso-spacerun:yes'> </span>Instrument type:<span
2384style='mso-spacerun:yes'>  </span>Debye-<span class=SpellE>Scherrer</span><o:p></o:p></span></p>
2385
2386<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2387
2388<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2389style='mso-spacerun:yes'> </span>Sample Parameters:<o:p></o:p></span></p>
2390
2391<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2392style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
2393style='mso-spacerun:yes'>         </span>Scale<span
2394style='mso-spacerun:yes'>    </span>Absorption<span
2395style='mso-spacerun:yes'>     </span><span class=SpellE>DisplaceX</span><span
2396style='mso-spacerun:yes'>     </span><span class=SpellE>DisplaceY</span><o:p></o:p></span></p>
2397
2398<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2399style='mso-spacerun:yes'> </span>values:<span style='mso-spacerun:yes'>     
2400</span>612.9203<span style='mso-spacerun:yes'>  </span><span
2401style='mso-spacerun:yes'>      </span>0.0000<span style='mso-spacerun:yes'>    
2402</span>1242.4926<span style='mso-spacerun:yes'>    </span>-2837.8867<o:p></o:p></span></p>
2403
2404<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2405style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2406style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>       
2407</span>3.4719<span style='mso-spacerun:yes'>                    
2408</span>53.7322<span style='mso-spacerun:yes'>      </span>117.5487<o:p></o:p></span></p>
2409
2410<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2411
2412<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2413style='mso-spacerun:yes'> </span>Instrument Parameters:<o:p></o:p></span></p>
2414
2415<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2416style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
2417style='mso-spacerun:yes'>         </span>Lam<span style='mso-spacerun:yes'>   
2418</span><span class=SpellE>Polariz</span>.<span style='mso-spacerun:yes'>       
2419</span>SH/L<span style='mso-spacerun:yes'>           </span>U<span
2420style='mso-spacerun:yes'>           </span>V<span
2421style='mso-spacerun:yes'>           </span>W<span
2422style='mso-spacerun:yes'>           </span>X<o:p></o:p></span></p>
2423
2424<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2425style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
2426style='mso-spacerun:yes'>    </span>1.909000<span style='mso-spacerun:yes'>   
2427</span>0.000000<span style='mso-spacerun:yes'>    </span>0.002000<span
2428style='mso-spacerun:yes'>  </span>258.609371 -645.406449<span
2429style='mso-spacerun:yes'>  </span>572.149553<span style='mso-spacerun:yes'>   
2430</span>0.000000<o:p></o:p></span></p>
2431
2432<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2433style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2434style='mso-spacerun:yes'>   </span>:<span
2435style='mso-spacerun:yes'>                                       
2436</span>4.221864<span style='mso-spacerun:yes'>   </span>10.112266<span
2437style='mso-spacerun:yes'>    </span>5.820126<span
2438style='mso-spacerun:yes'>            </span><o:p></o:p></span></p>
2439
2440<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2441
2442<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2443style='mso-spacerun:yes'> </span>Instrument Parameters:<o:p></o:p></span></p>
2444
2445<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2446style='mso-spacerun:yes'> </span><span class=GramE>names :</span><span
2447style='mso-spacerun:yes'>           </span>Y<span
2448style='mso-spacerun:yes'>        </span>Zero<o:p></o:p></span></p>
2449
2450<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2451style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
2452style='mso-spacerun:yes'>    </span>0.000000<span style='mso-spacerun:yes'>  
2453</span>-0.129218<o:p></o:p></span></p>
2454
2455<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2456style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2457style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>   </span><span
2458style='mso-spacerun:yes'>             </span>0.005984<o:p></o:p></span></p>
2459
2460<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><o:p>&nbsp;</o:p></span></p>
2461
2462<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2463style='mso-spacerun:yes'> </span>Background function:<span
2464style='mso-spacerun:yes'>  </span><span class=SpellE>chebyschev</span><o:p></o:p></span></p>
2465
2466<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2467style='mso-spacerun:yes'> </span><span class=GramE>value :</span><span
2468style='mso-spacerun:yes'>      </span>121.3<span style='mso-spacerun:yes'>   
2469</span>-27.19<span style='mso-spacerun:yes'>     </span>27.04<o:p></o:p></span></p>
2470
2471<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2472style='mso-spacerun:yes'> </span><span class=GramE>sig</span><span
2473style='mso-spacerun:yes'>   </span>:<span style='mso-spacerun:yes'>    
2474</span>0.2834<span style='mso-spacerun:yes'>     </span>0.537<span
2475style='mso-spacerun:yes'>    </span>0.9925<o:p></o:p></span></p>
2476
2477<p class=MsoNormal><span style='font-size:9.0pt;font-family:"Courier New"'><span
2478style='mso-spacerun:yes'> </span>Background sums: empirical 2.41e+04, Debye 0,
2479peaks 0, Total 2.41e+04<o:p></o:p></span></p>
2480
2481<p class=MsoNormal>A useful display to examine is given by selecting <b
2482style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2483mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
2484minor-latin'>Covariance</span></b> in the GSAS-II data tree</p>
2485
2486<p class=MsoNormal><span style='font-family:"Courier New";mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2487 id="Picture_x0020_27" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:457.5pt;
2488 height:392.25pt;visibility:visible;mso-wrap-style:square'>
2489 <v:imagedata src="Neutron%20CW%20Powder%20Data_files/image048.png" o:title=""/>
2490</v:shape><![endif]--><![if !vml]><img width=610 height=523
2491src="Neutron%20CW%20Powder%20Data_files/image053.png" v:shapes="Picture_x0020_27"><![endif]></span><span
2492style='font-family:"Courier New"'><o:p></o:p></span></p>
2493
2494<p class=MsoNormal>This is a graphical rendering of the variance-covariance
2495matrix from the last refinement. This matrix is symmetric about the diagonal;
2496moving your cursor about it will display parameter names, values and <span
2497class=SpellE>esds</span> on the diagonal and the covariance between a pair of
2498parameters off the diagonal. Intense red or green indicates high covariance
2499(green for + and red for -) and yellow is for close to zero covariance. High <span
2500class=SpellE>covariances</span> naturally occur for profile coefficients and for
2501background parameters. You can change the color scheme, the default is <span
2502class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
2503"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
2504minor-latin'>RdYlGn</span></b></span>. If during the course of one of your
2505refinements you see white bands in this display: that is the signature of some
2506singularities in your refinement. The offending parameter(s) should not be
2507refined independently; perhaps a constraint/equivalence is needed.</p>
2508
2509</div>
2510
2511</body>
2512
2513</html>
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