source: Tutorials/SeqRefine/SequentialTutorial.htm @ 2390

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415  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
416  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
417  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
418  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
419  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
420  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
421  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
422  <w:LsdException Locked="false" Priority="34" QFormat="true"
423   Name="List Paragraph"/>
424  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
425  <w:LsdException Locked="false" Priority="30" QFormat="true"
426   Name="Intense Quote"/>
427  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
428  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
429  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
430  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
431  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
432  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
433  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
434  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
435  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
436  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
437  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
438  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
439  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
440  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
441  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
442  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
443  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
444  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
445  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
446  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
447  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
448  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
449  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
450  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
451  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
452  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
453  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
454  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
455  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
456  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
457  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
458  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
459  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
460  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
461  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
462  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
463  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
464  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
465  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
466  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
467  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
468  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
469  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
470  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
471  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
472  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
473  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
474  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
475  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
476  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
477  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
478  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
479  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
480  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
481  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
482  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
483  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
484  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
485  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
486  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
487  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
488  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
489  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
490  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
491  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
492  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
493  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
494  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
495  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
496  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
497  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
498  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
499  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
500  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
501  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
502  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
503  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
504  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
505  <w:LsdException Locked="false" Priority="19" QFormat="true"
506   Name="Subtle Emphasis"/>
507  <w:LsdException Locked="false" Priority="21" QFormat="true"
508   Name="Intense Emphasis"/>
509  <w:LsdException Locked="false" Priority="31" QFormat="true"
510   Name="Subtle Reference"/>
511  <w:LsdException Locked="false" Priority="32" QFormat="true"
512   Name="Intense Reference"/>
513  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
514  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
515   UnhideWhenUsed="true" Name="Bibliography"/>
516  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
517   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
518  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
519  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
520  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
521  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
522  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
523  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
524  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
525  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
526  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
527  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
528  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
529  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
530  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
531  <w:LsdException Locked="false" Priority="46"
532   Name="Grid Table 1 Light Accent 1"/>
533  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
534  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
535  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
536  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
537  <w:LsdException Locked="false" Priority="51"
538   Name="Grid Table 6 Colorful Accent 1"/>
539  <w:LsdException Locked="false" Priority="52"
540   Name="Grid Table 7 Colorful Accent 1"/>
541  <w:LsdException Locked="false" Priority="46"
542   Name="Grid Table 1 Light Accent 2"/>
543  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
544  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
545  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
546  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
547  <w:LsdException Locked="false" Priority="51"
548   Name="Grid Table 6 Colorful Accent 2"/>
549  <w:LsdException Locked="false" Priority="52"
550   Name="Grid Table 7 Colorful Accent 2"/>
551  <w:LsdException Locked="false" Priority="46"
552   Name="Grid Table 1 Light Accent 3"/>
553  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
554  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
555  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
556  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
557  <w:LsdException Locked="false" Priority="51"
558   Name="Grid Table 6 Colorful Accent 3"/>
559  <w:LsdException Locked="false" Priority="52"
560   Name="Grid Table 7 Colorful Accent 3"/>
561  <w:LsdException Locked="false" Priority="46"
562   Name="Grid Table 1 Light Accent 4"/>
563  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
564  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
565  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
566  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
567  <w:LsdException Locked="false" Priority="51"
568   Name="Grid Table 6 Colorful Accent 4"/>
569  <w:LsdException Locked="false" Priority="52"
570   Name="Grid Table 7 Colorful Accent 4"/>
571  <w:LsdException Locked="false" Priority="46"
572   Name="Grid Table 1 Light Accent 5"/>
573  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
574  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
575  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
576  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
577  <w:LsdException Locked="false" Priority="51"
578   Name="Grid Table 6 Colorful Accent 5"/>
579  <w:LsdException Locked="false" Priority="52"
580   Name="Grid Table 7 Colorful Accent 5"/>
581  <w:LsdException Locked="false" Priority="46"
582   Name="Grid Table 1 Light Accent 6"/>
583  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
584  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
585  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
586  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
587  <w:LsdException Locked="false" Priority="51"
588   Name="Grid Table 6 Colorful Accent 6"/>
589  <w:LsdException Locked="false" Priority="52"
590   Name="Grid Table 7 Colorful Accent 6"/>
591  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
592  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
593  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
594  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
595  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
596  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
597  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
598  <w:LsdException Locked="false" Priority="46"
599   Name="List Table 1 Light Accent 1"/>
600  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
601  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
602  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
603  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
604  <w:LsdException Locked="false" Priority="51"
605   Name="List Table 6 Colorful Accent 1"/>
606  <w:LsdException Locked="false" Priority="52"
607   Name="List Table 7 Colorful Accent 1"/>
608  <w:LsdException Locked="false" Priority="46"
609   Name="List Table 1 Light Accent 2"/>
610  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
611  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
612  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
613  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
614  <w:LsdException Locked="false" Priority="51"
615   Name="List Table 6 Colorful Accent 2"/>
616  <w:LsdException Locked="false" Priority="52"
617   Name="List Table 7 Colorful Accent 2"/>
618  <w:LsdException Locked="false" Priority="46"
619   Name="List Table 1 Light Accent 3"/>
620  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
621  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
622  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
623  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
624  <w:LsdException Locked="false" Priority="51"
625   Name="List Table 6 Colorful Accent 3"/>
626  <w:LsdException Locked="false" Priority="52"
627   Name="List Table 7 Colorful Accent 3"/>
628  <w:LsdException Locked="false" Priority="46"
629   Name="List Table 1 Light Accent 4"/>
630  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
631  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
632  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
633  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
634  <w:LsdException Locked="false" Priority="51"
635   Name="List Table 6 Colorful Accent 4"/>
636  <w:LsdException Locked="false" Priority="52"
637   Name="List Table 7 Colorful Accent 4"/>
638  <w:LsdException Locked="false" Priority="46"
639   Name="List Table 1 Light Accent 5"/>
640  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
641  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
642  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
643  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
644  <w:LsdException Locked="false" Priority="51"
645   Name="List Table 6 Colorful Accent 5"/>
646  <w:LsdException Locked="false" Priority="52"
647   Name="List Table 7 Colorful Accent 5"/>
648  <w:LsdException Locked="false" Priority="46"
649   Name="List Table 1 Light Accent 6"/>
650  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
651  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
652  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
653  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
654  <w:LsdException Locked="false" Priority="51"
655   Name="List Table 6 Colorful Accent 6"/>
656  <w:LsdException Locked="false" Priority="52"
657   Name="List Table 7 Colorful Accent 6"/>
658 </w:LatentStyles>
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727        mso-font-pitch:fixed;
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779        mso-fareast-font-family:"MS Gothic";
780        color:#4F81BD;
781        mso-fareast-language:JA;
782        font-weight:bold;}
783a:link, span.MsoHyperlink
784        {mso-style-noshow:yes;
785        mso-style-priority:99;
786        color:blue;
787        mso-themecolor:hyperlink;
788        text-decoration:underline;
789        text-underline:single;}
790a:visited, span.MsoHyperlinkFollowed
791        {mso-style-noshow:yes;
792        mso-style-priority:99;
793        color:purple;
794        mso-themecolor:followedhyperlink;
795        text-decoration:underline;
796        text-underline:single;}
797p
798        {mso-style-noshow:yes;
799        mso-style-priority:99;
800        mso-margin-top-alt:auto;
801        margin-right:0in;
802        mso-margin-bottom-alt:auto;
803        margin-left:0in;
804        mso-pagination:widow-orphan;
805        font-size:12.0pt;
806        font-family:"Times New Roman",serif;
807        mso-fareast-font-family:"Times New Roman";
808        mso-fareast-theme-font:minor-fareast;}
809p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
810        {mso-style-noshow:yes;
811        mso-style-priority:99;
812        mso-style-link:"Balloon Text Char";
813        margin:0in;
814        margin-bottom:.0001pt;
815        mso-pagination:widow-orphan;
816        font-size:9.0pt;
817        font-family:"Lucida Grande";
818        mso-fareast-font-family:"MS Mincho";
819        mso-fareast-language:JA;}
820p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
821        {mso-style-noshow:yes;
822        mso-style-priority:34;
823        mso-style-unhide:no;
824        mso-style-qformat:yes;
825        margin-top:0in;
826        margin-right:0in;
827        margin-bottom:0in;
828        margin-left:.5in;
829        margin-bottom:.0001pt;
830        mso-add-space:auto;
831        mso-pagination:widow-orphan;
832        font-size:12.0pt;
833        mso-bidi-font-size:10.0pt;
834        font-family:"Times New Roman",serif;
835        mso-fareast-font-family:"MS Mincho";
836        mso-fareast-language:JA;}
837p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
838        {mso-style-noshow:yes;
839        mso-style-priority:34;
840        mso-style-unhide:no;
841        mso-style-qformat:yes;
842        mso-style-type:export-only;
843        margin-top:0in;
844        margin-right:0in;
845        margin-bottom:0in;
846        margin-left:.5in;
847        margin-bottom:.0001pt;
848        mso-add-space:auto;
849        mso-pagination:widow-orphan;
850        font-size:12.0pt;
851        mso-bidi-font-size:10.0pt;
852        font-family:"Times New Roman",serif;
853        mso-fareast-font-family:"MS Mincho";
854        mso-fareast-language:JA;}
855p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
856        {mso-style-noshow:yes;
857        mso-style-priority:34;
858        mso-style-unhide:no;
859        mso-style-qformat:yes;
860        mso-style-type:export-only;
861        margin-top:0in;
862        margin-right:0in;
863        margin-bottom:0in;
864        margin-left:.5in;
865        margin-bottom:.0001pt;
866        mso-add-space:auto;
867        mso-pagination:widow-orphan;
868        font-size:12.0pt;
869        mso-bidi-font-size:10.0pt;
870        font-family:"Times New Roman",serif;
871        mso-fareast-font-family:"MS Mincho";
872        mso-fareast-language:JA;}
873p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
874        {mso-style-noshow:yes;
875        mso-style-priority:34;
876        mso-style-unhide:no;
877        mso-style-qformat:yes;
878        mso-style-type:export-only;
879        margin-top:0in;
880        margin-right:0in;
881        margin-bottom:0in;
882        margin-left:.5in;
883        margin-bottom:.0001pt;
884        mso-add-space:auto;
885        mso-pagination:widow-orphan;
886        font-size:12.0pt;
887        mso-bidi-font-size:10.0pt;
888        font-family:"Times New Roman",serif;
889        mso-fareast-font-family:"MS Mincho";
890        mso-fareast-language:JA;}
891span.Heading1Char
892        {mso-style-name:"Heading 1 Char";
893        mso-style-priority:9;
894        mso-style-unhide:no;
895        mso-style-locked:yes;
896        mso-style-parent:"";
897        mso-style-link:"Heading 1";
898        mso-ansi-font-size:18.0pt;
899        mso-bidi-font-size:16.0pt;
900        font-family:"Times New Roman",serif;
901        mso-ascii-font-family:"Times New Roman";
902        mso-fareast-font-family:"MS Gothic";
903        mso-hansi-font-family:"Times New Roman";
904        mso-bidi-font-family:"Times New Roman";
905        mso-fareast-language:JA;
906        font-weight:bold;}
907span.Heading2Char
908        {mso-style-name:"Heading 2 Char";
909        mso-style-noshow:yes;
910        mso-style-priority:9;
911        mso-style-unhide:no;
912        mso-style-locked:yes;
913        mso-style-parent:"";
914        mso-style-link:"Heading 2";
915        mso-ansi-font-size:13.0pt;
916        mso-bidi-font-size:13.0pt;
917        font-family:"Calibri",sans-serif;
918        mso-ascii-font-family:Calibri;
919        mso-fareast-font-family:"MS Gothic";
920        mso-hansi-font-family:Calibri;
921        mso-bidi-font-family:"Times New Roman";
922        color:#4F81BD;
923        font-weight:bold;}
924p.msonormal0, li.msonormal0, div.msonormal0
925        {mso-style-name:msonormal;
926        mso-style-noshow:yes;
927        mso-style-priority:99;
928        mso-style-unhide:no;
929        mso-margin-top-alt:auto;
930        margin-right:0in;
931        mso-margin-bottom-alt:auto;
932        margin-left:0in;
933        mso-pagination:widow-orphan;
934        font-size:12.0pt;
935        font-family:"Times New Roman",serif;
936        mso-fareast-font-family:"Times New Roman";
937        mso-fareast-theme-font:minor-fareast;}
938span.BalloonTextChar
939        {mso-style-name:"Balloon Text Char";
940        mso-style-noshow:yes;
941        mso-style-priority:99;
942        mso-style-unhide:no;
943        mso-style-locked:yes;
944        mso-style-parent:"";
945        mso-style-link:"Balloon Text";
946        mso-ansi-font-size:9.0pt;
947        mso-bidi-font-size:9.0pt;
948        font-family:"Lucida Grande";
949        mso-ascii-font-family:"Lucida Grande";
950        mso-hansi-font-family:"Lucida Grande";
951        mso-bidi-font-family:"Lucida Grande";}
952.MsoChpDefault
953        {mso-style-type:export-only;
954        mso-default-props:yes;
955        font-size:10.0pt;
956        mso-ansi-font-size:10.0pt;
957        mso-bidi-font-size:10.0pt;
958        font-family:"Cambria",serif;
959        mso-ascii-font-family:Cambria;
960        mso-fareast-font-family:"MS Mincho";
961        mso-hansi-font-family:Cambria;}
962@page WordSection1
963        {size:8.5in 11.0in;
964        margin:1.0in 1.25in 1.0in 1.25in;
965        mso-header-margin:.5in;
966        mso-footer-margin:.5in;
967        mso-paper-source:0;}
968div.WordSection1
969        {page:WordSection1;}
970 /* List Definitions */
971 @list l0
972        {mso-list-id:177306416;
973        mso-list-type:hybrid;
974        mso-list-template-ids:113260986 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
975@list l0:level1
976        {mso-level-tab-stop:none;
977        mso-level-number-position:left;
978        text-indent:-.25in;}
979@list l0:level2
980        {mso-level-number-format:alpha-lower;
981        mso-level-tab-stop:none;
982        mso-level-number-position:left;
983        text-indent:-.25in;}
984@list l0:level3
985        {mso-level-number-format:roman-lower;
986        mso-level-tab-stop:none;
987        mso-level-number-position:right;
988        text-indent:-9.0pt;}
989@list l0:level4
990        {mso-level-tab-stop:none;
991        mso-level-number-position:left;
992        text-indent:-.25in;}
993@list l0:level5
994        {mso-level-number-format:alpha-lower;
995        mso-level-tab-stop:none;
996        mso-level-number-position:left;
997        text-indent:-.25in;}
998@list l0:level6
999        {mso-level-number-format:roman-lower;
1000        mso-level-tab-stop:none;
1001        mso-level-number-position:right;
1002        text-indent:-9.0pt;}
1003@list l0:level7
1004        {mso-level-tab-stop:none;
1005        mso-level-number-position:left;
1006        text-indent:-.25in;}
1007@list l0:level8
1008        {mso-level-number-format:alpha-lower;
1009        mso-level-tab-stop:none;
1010        mso-level-number-position:left;
1011        text-indent:-.25in;}
1012@list l0:level9
1013        {mso-level-number-format:roman-lower;
1014        mso-level-tab-stop:none;
1015        mso-level-number-position:right;
1016        text-indent:-9.0pt;}
1017@list l1
1018        {mso-list-id:257300979;
1019        mso-list-type:hybrid;
1020        mso-list-template-ids:-1964622610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1021@list l1:level1
1022        {mso-level-tab-stop:none;
1023        mso-level-number-position:left;
1024        text-indent:-.25in;}
1025@list l1:level2
1026        {mso-level-number-format:alpha-lower;
1027        mso-level-tab-stop:none;
1028        mso-level-number-position:left;
1029        text-indent:-.25in;}
1030@list l1:level3
1031        {mso-level-number-format:roman-lower;
1032        mso-level-tab-stop:none;
1033        mso-level-number-position:right;
1034        text-indent:-9.0pt;}
1035@list l1:level4
1036        {mso-level-tab-stop:none;
1037        mso-level-number-position:left;
1038        text-indent:-.25in;}
1039@list l1:level5
1040        {mso-level-number-format:alpha-lower;
1041        mso-level-tab-stop:none;
1042        mso-level-number-position:left;
1043        text-indent:-.25in;}
1044@list l1:level6
1045        {mso-level-number-format:roman-lower;
1046        mso-level-tab-stop:none;
1047        mso-level-number-position:right;
1048        text-indent:-9.0pt;}
1049@list l1:level7
1050        {mso-level-tab-stop:none;
1051        mso-level-number-position:left;
1052        text-indent:-.25in;}
1053@list l1:level8
1054        {mso-level-number-format:alpha-lower;
1055        mso-level-tab-stop:none;
1056        mso-level-number-position:left;
1057        text-indent:-.25in;}
1058@list l1:level9
1059        {mso-level-number-format:roman-lower;
1060        mso-level-tab-stop:none;
1061        mso-level-number-position:right;
1062        text-indent:-9.0pt;}
1063@list l2
1064        {mso-list-id:321734847;
1065        mso-list-type:hybrid;
1066        mso-list-template-ids:113260986 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1067@list l2:level1
1068        {mso-level-tab-stop:none;
1069        mso-level-number-position:left;
1070        text-indent:-.25in;}
1071@list l2:level2
1072        {mso-level-number-format:alpha-lower;
1073        mso-level-tab-stop:none;
1074        mso-level-number-position:left;
1075        text-indent:-.25in;}
1076@list l2:level3
1077        {mso-level-number-format:roman-lower;
1078        mso-level-tab-stop:none;
1079        mso-level-number-position:right;
1080        text-indent:-9.0pt;}
1081@list l2:level4
1082        {mso-level-tab-stop:none;
1083        mso-level-number-position:left;
1084        text-indent:-.25in;}
1085@list l2:level5
1086        {mso-level-number-format:alpha-lower;
1087        mso-level-tab-stop:none;
1088        mso-level-number-position:left;
1089        text-indent:-.25in;}
1090@list l2:level6
1091        {mso-level-number-format:roman-lower;
1092        mso-level-tab-stop:none;
1093        mso-level-number-position:right;
1094        text-indent:-9.0pt;}
1095@list l2:level7
1096        {mso-level-tab-stop:none;
1097        mso-level-number-position:left;
1098        text-indent:-.25in;}
1099@list l2:level8
1100        {mso-level-number-format:alpha-lower;
1101        mso-level-tab-stop:none;
1102        mso-level-number-position:left;
1103        text-indent:-.25in;}
1104@list l2:level9
1105        {mso-level-number-format:roman-lower;
1106        mso-level-tab-stop:none;
1107        mso-level-number-position:right;
1108        text-indent:-9.0pt;}
1109@list l3
1110        {mso-list-id:375742000;
1111        mso-list-type:hybrid;
1112        mso-list-template-ids:113260986 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1113@list l3:level1
1114        {mso-level-tab-stop:none;
1115        mso-level-number-position:left;
1116        text-indent:-.25in;}
1117@list l3:level2
1118        {mso-level-number-format:alpha-lower;
1119        mso-level-tab-stop:none;
1120        mso-level-number-position:left;
1121        text-indent:-.25in;}
1122@list l3:level3
1123        {mso-level-number-format:roman-lower;
1124        mso-level-tab-stop:none;
1125        mso-level-number-position:right;
1126        text-indent:-9.0pt;}
1127@list l3:level4
1128        {mso-level-tab-stop:none;
1129        mso-level-number-position:left;
1130        text-indent:-.25in;}
1131@list l3:level5
1132        {mso-level-number-format:alpha-lower;
1133        mso-level-tab-stop:none;
1134        mso-level-number-position:left;
1135        text-indent:-.25in;}
1136@list l3:level6
1137        {mso-level-number-format:roman-lower;
1138        mso-level-tab-stop:none;
1139        mso-level-number-position:right;
1140        text-indent:-9.0pt;}
1141@list l3:level7
1142        {mso-level-tab-stop:none;
1143        mso-level-number-position:left;
1144        text-indent:-.25in;}
1145@list l3:level8
1146        {mso-level-number-format:alpha-lower;
1147        mso-level-tab-stop:none;
1148        mso-level-number-position:left;
1149        text-indent:-.25in;}
1150@list l3:level9
1151        {mso-level-number-format:roman-lower;
1152        mso-level-tab-stop:none;
1153        mso-level-number-position:right;
1154        text-indent:-9.0pt;}
1155@list l4
1156        {mso-list-id:931935216;
1157        mso-list-type:hybrid;
1158        mso-list-template-ids:-1849530802 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1159@list l4:level1
1160        {mso-level-tab-stop:none;
1161        mso-level-number-position:left;
1162        margin-left:.75in;
1163        text-indent:-.25in;}
1164@list l4:level2
1165        {mso-level-number-format:alpha-lower;
1166        mso-level-tab-stop:none;
1167        mso-level-number-position:left;
1168        margin-left:1.25in;
1169        text-indent:-.25in;}
1170@list l4:level3
1171        {mso-level-number-format:roman-lower;
1172        mso-level-tab-stop:none;
1173        mso-level-number-position:right;
1174        margin-left:1.75in;
1175        text-indent:-9.0pt;}
1176@list l4:level4
1177        {mso-level-tab-stop:none;
1178        mso-level-number-position:left;
1179        margin-left:2.25in;
1180        text-indent:-.25in;}
1181@list l4:level5
1182        {mso-level-number-format:alpha-lower;
1183        mso-level-tab-stop:none;
1184        mso-level-number-position:left;
1185        margin-left:2.75in;
1186        text-indent:-.25in;}
1187@list l4:level6
1188        {mso-level-number-format:roman-lower;
1189        mso-level-tab-stop:none;
1190        mso-level-number-position:right;
1191        margin-left:3.25in;
1192        text-indent:-9.0pt;}
1193@list l4:level7
1194        {mso-level-tab-stop:none;
1195        mso-level-number-position:left;
1196        margin-left:3.75in;
1197        text-indent:-.25in;}
1198@list l4:level8
1199        {mso-level-number-format:alpha-lower;
1200        mso-level-tab-stop:none;
1201        mso-level-number-position:left;
1202        margin-left:4.25in;
1203        text-indent:-.25in;}
1204@list l4:level9
1205        {mso-level-number-format:roman-lower;
1206        mso-level-tab-stop:none;
1207        mso-level-number-position:right;
1208        margin-left:4.75in;
1209        text-indent:-9.0pt;}
1210@list l5
1211        {mso-list-id:1447852064;
1212        mso-list-type:hybrid;
1213        mso-list-template-ids:113260986 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
1214@list l5:level1
1215        {mso-level-tab-stop:none;
1216        mso-level-number-position:left;
1217        text-indent:-.25in;}
1218@list l5:level2
1219        {mso-level-number-format:alpha-lower;
1220        mso-level-tab-stop:none;
1221        mso-level-number-position:left;
1222        text-indent:-.25in;}
1223@list l5:level3
1224        {mso-level-number-format:roman-lower;
1225        mso-level-tab-stop:none;
1226        mso-level-number-position:right;
1227        text-indent:-9.0pt;}
1228@list l5:level4
1229        {mso-level-tab-stop:none;
1230        mso-level-number-position:left;
1231        text-indent:-.25in;}
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1371<![endif]-->
1372<meta name=Title content="">
1373<meta name=Keywords content="">
1374<!--[if gte mso 9]><xml>
1375 <o:shapedefaults v:ext="edit" spidmax="1047"/>
1376</xml><![endif]--><!--[if gte mso 9]><xml>
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1380</head>
1381
1382<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1383
1384<div class=WordSection1>
1385
1386<h1>Sequential refinement of multiple datasets – CuCr<sub>2</sub>O<sub>4</sub>
1387from 7K to 300K</h1>
1388
1389<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1390
1391<p class=MsoNormal>Sequential refinement is a way to fit a series of datasets
1392with a set of closely related models that evolve over the course of the
1393measurements.<span style='mso-spacerun:yes'>  </span>Sequential refinements can
1394be performed in three different ways: </p>
1395
1396<p class=MsoListParagraphCxSpFirst style='margin-left:.75in;mso-add-space:auto;
1397text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
1398style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1399style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>with
1400differing starting parameters for each histogram</p>
1401
1402<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
1403auto;text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
1404style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1405style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>with
1406the same starting parameters for each histogram</p>
1407
1408<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
1409text-indent:-.25in;mso-list:l4 level1 lfo2'><![if !supportLists]><span
1410style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1411style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>where
1412the resulting parameters after refinement with a histogram are used as the
1413starting point for the next histogram.</p>
1414
1415<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1416
1417<p class=MsoNormal>In this example, we will fit a temperature series. Note that
1418it is also possible to fit a temperature series as a combined refinement and,
1419as will be seen, one can still deal with thermal expansion (using the
1420Hydrostatic/Elastic strain terms), but a combined refinement would average the
1421atomic parameters across all temperatures. A sequential refinement allows each
1422data set to determine the atomic parameters; their variation with temperature
1423might be of interest.</p>
1424
1425<p class=MsoNormal>If you have not done so already, start GSAS-II. Some of the
1426pictures in this tutorial are from a Mac OSX machine; these illustrate the
1427differences in menu location from Windows/Linux machines.<span
1428style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
1429
1430<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1431
1432<p class=MsoNormal>This example assumes that one is already familiar with use
1433of GSAS-II for simple refinements.</p>
1434
1435<h1>Step 1: Fit a single temperature. </h1>
1436
1437<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1438
1439<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1440style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1441style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shapetype
1442 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1443 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1444 <v:stroke joinstyle="miter"/>
1445 <v:formulas>
1446  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1447  <v:f eqn="sum @0 1 0"/>
1448  <v:f eqn="sum 0 0 @1"/>
1449  <v:f eqn="prod @2 1 2"/>
1450  <v:f eqn="prod @3 21600 pixelWidth"/>
1451  <v:f eqn="prod @3 21600 pixelHeight"/>
1452  <v:f eqn="sum @0 0 1"/>
1453  <v:f eqn="prod @6 1 2"/>
1454  <v:f eqn="prod @7 21600 pixelWidth"/>
1455  <v:f eqn="sum @8 21600 0"/>
1456  <v:f eqn="prod @7 21600 pixelHeight"/>
1457  <v:f eqn="sum @10 21600 0"/>
1458 </v:formulas>
1459 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1460 <o:lock v:ext="edit" aspectratio="t"/>
1461</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_s1046" type="#_x0000_t75"
1462 style='position:absolute;left:0;text-align:left;margin-left:151.8pt;
1463 margin-top:0;width:203pt;height:69.5pt;z-index:251659264;visibility:visible;
1464 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
1465 mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1466 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1467 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1468 mso-position-vertical-relative:margin;mso-width-percent:0;
1469 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1470 <v:imagedata src="SequentialTutorial_files/image001.png" o:title=""/>
1471 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1472</v:shape><![endif]--><![if !vml]><img width=271 height=93
1473src="SequentialTutorial_files/image008.jpg" align=right hspace=12 v:shapes="Picture_x0020_1"><![endif]>Use
1474the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1475mso-hansi-theme-font:major-latin'>Import/Phase/from CIF file menu item</span></b>
1476to read the phase information </p>
1477
1478<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1479
1480<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1481style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1482style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>In
1483the file browser dialog window that is created, <span style='mso-bidi-font-weight:
1484bold'>change the file type from<b> “</b></span><b><span style='font-family:
1485"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1486major-latin'>CIF file</span>” </b><span style='mso-bidi-font-weight:bold'>to<b>
1487“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1488major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>”</b> and <span
1489style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1490style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1491mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1492bold'>file</span> (change the file directory to <b style='mso-bidi-font-weight:
1493normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1494major-latin;mso-hansi-theme-font:major-latin'>SeqRefine/data</span></b>).
1495Another dialog window will be created showing all the files in the zip archive.
1496To simplify the view to only show the phase files, type “<b style='mso-bidi-font-weight:
1497normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1498major-latin;mso-hansi-theme-font:major-latin'>cif</span></b>” (or “<b
1499style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1500mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CIF</span></b>”
1501– case is ignored) into the filter. <span style='mso-bidi-font-weight:bold'>Select
1502the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1503major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4.cif</span> </b><span
1504style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1505style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1506mso-hansi-theme-font:major-latin'>CuO.cif</span> </b><span style='mso-bidi-font-weight:
1507bold'>input files. Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1508mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1509</p>
1510
1511<p class=MsoListParagraphCxSpMiddle>(Note that if files CuCr2O4.cif or the
1512CuO.cif already exist, you will be asked to OK overwriting them.)</p>
1513
1514<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1515
1516<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1517style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1518style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
1519will be asked sequentially for the name for each phase. The defaults (<b
1520style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1521mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>
1522and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1523mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
1524are fine, so <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1525major-latin;mso-hansi-theme-font:major-latin'>OK</span> </b><span
1526style='mso-bidi-font-weight:bold'>can be pressed for each question</span>.<span
1527style='mso-spacerun:yes'>  </span></p>
1528
1529<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1530
1531<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1532style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1533style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1534 id="Picture_x0020_21" o:spid="_x0000_s1045" type="#_x0000_t75" style='position:absolute;
1535 left:0;text-align:left;margin-left:161.8pt;margin-top:0;width:213pt;height:89pt;
1536 z-index:251675648;visibility:visible;mso-wrap-style:square;
1537 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1538 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1539 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1540 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1541 mso-position-vertical-relative:margin;mso-width-percent:0;
1542 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1543 <v:imagedata src="SequentialTutorial_files/image003.png" o:title=""/>
1544 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1545</v:shape><![endif]--><![if !vml]><img width=284 height=119
1546src="SequentialTutorial_files/image032.jpg" align=right hspace=12 v:shapes="Picture_x0020_21"><![endif]><span
1547style='mso-spacerun:yes'> </span>Read in the ~7 K dataset (<b style='mso-bidi-font-weight:
1548normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1549major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>) using <b><span
1550style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1551mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
1552to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
1553“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1554major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>” </b><span
1555style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1556style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1557mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1558bold'>file<b>. </b>Select file<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1559mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>
1560(use of the filter can again be helpful) and <span style='mso-bidi-font-weight:
1561bold'>press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1562mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1563</p>
1564
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1568  z-index:251676672;visibility:visible;mso-wrap-style:square;
1569  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1570  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1571  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
1572  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1573  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
1574  mso-width-relative:page;mso-height-relative:page'>
1575  <v:imagedata src="SequentialTutorial_files/image005.png" o:title=""/>
1576  <w:wrap type="topAndBottom"/>
1577 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
1578 <table cellpadding=0 cellspacing=0>
1579  <tr>
1580   <td width=48 height=0></td>
1581  </tr>
1582  <tr>
1583   <td></td>
1584   <td><img width=216 height=210 src="SequentialTutorial_files/image042.png"
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1587 </table>
1588 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
1589style='mso-ignore:vglayout' clear=ALL>
1590You will be shown the first few lines from the file. Confirm that the selected
1591file is correct by <span style='mso-bidi-font-weight:bold'>pressing<b> </b></span><b><span
1592style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1593mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
1594
1595<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1596mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_1" o:spid="_x0000_i1057"
1597 type="#_x0000_t75" style='width:237.75pt;height:125.25pt;visibility:visible;
1598 mso-wrap-style:square'>
1599 <v:imagedata src="SequentialTutorial_files/image007.png" o:title=""/>
1600</v:shape><![endif]--><![if !vml]><img width=317 height=167
1601src="SequentialTutorial_files/image051.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
1602
1603<p class=MsoListParagraphCxSpMiddle>Note that the instrument parameter file
1604with the matching name (<b style='mso-bidi-font-weight:normal'><span
1605style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1606mso-hansi-theme-font:major-latin'>OH_00.prm</span></b>) is read automatically. </p>
1607
1608<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1609
1610<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1611style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1612style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Map
1613the phases to the data: After reading in the dataset, a window used to select
1614phases is shown. <span style='mso-bidi-font-weight:bold'>Select both phases and
1615press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1616mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span>.</b><span
1617style='mso-spacerun:yes'>  </span></p>
1618
1619<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1620mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2" o:spid="_x0000_i1056"
1621 type="#_x0000_t75" style='width:176.25pt;height:146.25pt;visibility:visible;
1622 mso-wrap-style:square'>
1623 <v:imagedata src="SequentialTutorial_files/image009.png" o:title=""/>
1624</v:shape><![endif]--><![if !vml]><img width=235 height=195
1625src="SequentialTutorial_files/image055.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1626
1627<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1628
1629<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1630style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
1631style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1632 id="Picture_x0020_4" o:spid="_x0000_s1043" type="#_x0000_t75" style='position:absolute;
1633 left:0;text-align:left;margin-left:199.05pt;margin-top:0;width:250.25pt;
1634 height:127.15pt;z-index:251677696;visibility:visible;mso-wrap-style:square;
1635 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1636 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1637 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1638 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1639 mso-position-vertical-relative:margin;mso-width-percent:0;
1640 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1641 <v:imagedata src="SequentialTutorial_files/image011.png" o:title=""/>
1642 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1643</v:shape><![endif]--><![if !vml]><img width=334 height=170
1644src="SequentialTutorial_files/image057.png" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>We
1645want to fit the lattice parameters, background, and a phase fraction
1646initially.<span style='mso-spacerun:yes'>  </span>To illustrate how constraints
1647are used, we will refine both phase fractions, but constrain their sum to be
1648one. To set up the constraint, <span style='mso-bidi-font-weight:bold'>click on
1649the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1650major-latin;mso-hansi-theme-font:major-latin'>Constraints</span> </b><span
1651style='mso-bidi-font-weight:bold'>item</span> in the data tree and the <b><span
1652style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1653mso-hansi-theme-font:major-latin'>Select tab/Histogram/Phase</span> </b><span
1654style='mso-bidi-font-weight:bold'>menu<span style='mso-spacerun:yes'> 
1655</span>item</span>, and then <span style='mso-bidi-font-weight:bold'>click on
1656the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1657major-latin;mso-hansi-theme-font:major-latin'>Edit/Add</span> </b><b><span
1658style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1659mso-hansi-theme-font:major-latin'>constraint</span></b><span style='mso-bidi-font-weight:
1660bold'> menu item<b>.</b></span></p>
1661
1662<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1663mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" o:spid="_x0000_i1055"
1664 type="#_x0000_t75" style='width:78pt;height:54pt;visibility:visible;
1665 mso-wrap-style:square'>
1666 <v:imagedata src="SequentialTutorial_files/image013.png" o:title=""/>
1667</v:shape><![endif]--><![if !vml]><img width=104 height=72
1668src="SequentialTutorial_files/image099.jpg" v:shapes="Picture_x0020_5"><![endif]></span><span
1669style='mso-spacerun:yes'> </span></p>
1670
1671<p class=MsoListParagraphCxSpMiddle>In the next window use a <b
1672style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1673mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Filter</span></b>
1674of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1675mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>scale</span></b>
1676to make the list shorter and then <span style='mso-bidi-font-weight:bold'>select
1677the phase fraction for the first phase<b> </b></span><b><span style='font-family:
1678"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1679major-latin'>0:0:Scale</span></b> (the second one, <b style='mso-bidi-font-weight:
1680normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1681major-latin;mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><span
1682style='font-family:Courier'>,</span> would work too) </p>
1683
1684<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1685mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8" o:spid="_x0000_i1054"
1686 type="#_x0000_t75" style='width:327.75pt;height:129pt;visibility:visible;
1687 mso-wrap-style:square'>
1688 <v:imagedata src="SequentialTutorial_files/image015.png" o:title=""/>
1689</v:shape><![endif]--><![if !vml]><img width=437 height=172
1690src="SequentialTutorial_files/image101.png" v:shapes="Picture_x0020_8"><![endif]></span><span
1691style='mso-spacerun:yes'> </span></p>
1692
1693<p class=MsoListParagraphCxSpMiddle>In the next window, either <span
1694style='mso-bidi-font-weight:bold'>select the other phase fraction<b> (</b></span><b><span
1695style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1696mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><b><span
1697style='font-family:Courier'>)</span></b><span style='font-family:"Cambria",serif;
1698mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> or select
1699all phases (</span><b style='mso-bidi-font-weight:normal'><span
1700style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1701mso-hansi-theme-font:major-latin'>all:0:Scale</span></b><span style='font-family:
1702"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>)<o:p></o:p></span></p>
1703
1704<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1705mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1053"
1706 type="#_x0000_t75" style='width:338.25pt;height:129.75pt;visibility:visible;
1707 mso-wrap-style:square'>
1708 <v:imagedata src="SequentialTutorial_files/image017.png" o:title=""/>
1709</v:shape><![endif]--><![if !vml]><img width=451 height=173
1710src="SequentialTutorial_files/image106.png" v:shapes="Picture_x0020_10"><![endif]></span><span
1711style='font-family:"Cambria",serif'><o:p></o:p></span></p>
1712
1713<p class=MsoListParagraphCxSpMiddle>This creates the desired constraint, which
1714forces the sum to be 1. (If the desired sum was different or different
1715multipliers were desired, press the <b style='mso-bidi-font-weight:normal'><span
1716style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1717mso-hansi-theme-font:major-latin'>Edit</span></b> button for the constraint.) </p>
1718
1719<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1720mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11" o:spid="_x0000_i1052"
1721 type="#_x0000_t75" style='width:254.25pt;height:129pt;visibility:visible;
1722 mso-wrap-style:square'>
1723 <v:imagedata src="SequentialTutorial_files/image019.png" o:title=""/>
1724</v:shape><![endif]--><![if !vml]><img width=339 height=172
1725src="SequentialTutorial_files/image107.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
1726
1727<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1728
1729<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1730style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
1731style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
1732we select the variables to refine. </p>
1733
1734<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1735
1736<p class=MsoListParagraphCxSpFirst><span style='mso-bidi-font-weight:bold'>Select
1737the first phase</span> (<b style='mso-bidi-font-weight:normal'><span
1738style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1739mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) <span style='mso-bidi-font-weight:
1740bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
1741mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
1742cell</span></b><span style='mso-bidi-font-weight:bold'> option</span> (on the <b
1743style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1744mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>General</span></b>
1745tab). (On a Mac you will likely need to click on the triangle to the left of
1746the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1747mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase</span></b>
1748entry to “open” the tree item). We also want to refine the phase fraction for
1749this phase, so <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1750style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1751mso-hansi-theme-font:major-latin'>Data</span> </b><span style='mso-bidi-font-weight:
1752bold'>tab, click on<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1753mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>show PWDR
1754OH_00.fxye Bank 1</span></b> and <span style='mso-bidi-font-weight:bold'>click
1755on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1756mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase
1757fraction</span> </b><span style='mso-bidi-font-weight:bold'>box</span> to cause
1758that to be refined.<span style='mso-spacerun:yes'>  </span></p>
1759
1760<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1761mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" o:spid="_x0000_i1051"
1762 type="#_x0000_t75" style='width:260.25pt;height:99pt;visibility:visible;
1763 mso-wrap-style:square'>
1764 <v:imagedata src="SequentialTutorial_files/image021.png" o:title=""/>
1765</v:shape><![endif]--><![if !vml]><img width=347 height=132
1766src="SequentialTutorial_files/image108.jpg" v:shapes="Picture_x0020_7"><![endif]></span></p>
1767
1768<p class=MsoListParagraphCxSpMiddle>Repeat this with the second phase (<b
1769style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1770mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>),
1771by <span style='mso-bidi-font-weight:bold'>selecting it</span> in the data
1772tree. Then <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1773style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1774mso-hansi-theme-font:major-latin'>General</span> </b><span style='mso-bidi-font-weight:
1775bold'>tab</span> and on <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1776style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1777mso-hansi-theme-font:major-latin'>Refine unit cell</span></b> option. We also
1778want to refine the phase fraction for this phase, so <span style='mso-bidi-font-weight:
1779bold'>select the </span><b><span style='font-family:"Calibri",sans-serif;
1780mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
1781style='mso-bidi-font-weight:bold'>tab, click on<b> </b></span><b><span
1782style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1783mso-hansi-theme-font:major-latin'>show PWDR OH_00.fxye Bank 1</span></b> and <span
1784style='mso-bidi-font-weight:bold'>click on the<b> </b></span><b><span
1785style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1786mso-hansi-theme-font:major-latin'>Phase fraction</span> </b><span
1787style='mso-bidi-font-weight:bold'>box</span> to cause that to be refined.<span
1788style='mso-spacerun:yes'>  </span>Also <span style='mso-bidi-font-weight:bold'>click
1789on the single<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1790mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b>
1791(isotropic) term for this second phase.</p>
1792
1793<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1794
1795<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_14"
1796 o:spid="_x0000_s1042" type="#_x0000_t75" style='position:absolute;left:0;
1797 text-align:left;margin-left:208.5pt;margin-top:891.2pt;width:259.7pt;height:92.55pt;
1798 z-index:251678720;visibility:visible;mso-wrap-style:square;
1799 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1800 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1801 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1802 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
1803 mso-position-vertical-relative:margin;mso-width-percent:0;
1804 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1805 <v:imagedata src="SequentialTutorial_files/image023.png" o:title=""/>
1806 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1807</v:shape><![endif]--><![if !vml]><img width=346 height=123
1808src="SequentialTutorial_files/image109.png" align=right hspace=12 v:shapes="Picture_x0020_14"><![endif]>Also
1809<span style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1810style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1811mso-hansi-theme-font:major-latin'>Background</span> </b><span style='mso-bidi-font-weight:
1812bold'>entry</span> under <b style='mso-bidi-font-weight:normal'><span
1813style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1814mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> in the
1815GSAS-II data tree (for a Mac, you will likely need to click on the triangle to
1816the left of the entry to “open” the tree item.) Confirm that <b
1817style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1818mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background
1819function</span></b> should already be set as <b style='mso-bidi-font-weight:
1820normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1821major-latin;mso-hansi-theme-font:major-latin'>chebyshev</span></b> and the <b
1822style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1823mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine</span></b>
1824flag should be checked. <span style='mso-bidi-font-weight:bold'>Change the<b> </b></span><b><span
1825style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1826mso-hansi-theme-font:major-latin'>No. coeff</span>. </b><span style='mso-bidi-font-weight:
1827bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1828mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>6</span></b>
1829to introduce more background terms. </p>
1830
1831<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1832
1833<p class=MsoListParagraphCxSpMiddle>The histogram scale factor, on the <b
1834style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1835mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
1836Parameters</span></b> entry should already be set as refined by default, but
1837you may want to confirm this.</p>
1838
1839<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1840
1841<p class=MsoListParagraphCxSpMiddle>Finally, note that the first broad peak in
1842these data is spurious. It is known to arise from the kapton window in the
1843cryostat used for sample cooling; this was confirmed by collecting data without
1844a sample. We could model this peak, but it is easier to simply drop the data
1845below the first peak at ~5 degrees. To do this<b style='mso-bidi-font-weight:
1846normal'>, </b><span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1847style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1848mso-hansi-theme-font:major-latin'>Limits</span> </b><span style='mso-bidi-font-weight:
1849bold'>entry</span> for <b style='mso-bidi-font-weight:normal'><span
1850style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1851mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and in the <b
1852style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1853mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Tmin/changed</span></b>
1854box (to lower left) <span style='mso-bidi-font-weight:bold'>change it to </span><b><span
1855style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1856mso-hansi-theme-font:major-latin'>4.5</span>.</b> <b style='mso-bidi-font-weight:
1857normal'><i style='mso-bidi-font-style:normal'><u>Important</u></i></b>: you
1858will have to select the data box (it will turn blue) and then enter the number
1859(<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1860mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>4.5</span></b>)
1861and then click on some other box in the window so that the change registers. </p>
1862
1863<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1864
1865<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1866style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>8.<span
1867style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1868 id="Picture_x0020_15" o:spid="_x0000_s1041" type="#_x0000_t75" style='position:absolute;
1869 left:0;text-align:left;margin-left:102.2pt;margin-top:-53.75pt;width:153.4pt;
1870 height:236.55pt;z-index:251679744;visibility:visible;mso-wrap-style:square;
1871 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1872 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1873 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1874 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
1875 mso-position-vertical-relative:margin;mso-width-percent:0;
1876 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1877 <v:imagedata src="SequentialTutorial_files/image025.png" o:title=""/>
1878 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1879</v:shape><![endif]--><![if !vml]><img width=205 height=315
1880src="SequentialTutorial_files/image110.png" align=right hspace=12 v:shapes="Picture_x0020_15"><![endif]>Optional:
1881confirm that the initial parameters have been selected correctly for refinement
1882using <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1883style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1884mso-hansi-theme-font:major-latin'>Calculate/View LS parms</span> </b><span
1885style='mso-bidi-font-weight:bold'>menu item</span> for the main GSAS-II data
1886ttree window. There will be 15 refined parameters: <span style='font-family:
1887Courier'>0::A</span>x (x=0,1,2) and <span style='font-family:Courier'>1::A</span>x
1888(x=0,1,2,4), the reciprocal lattice metric terms for each phase; <span
1889style='font-family:Courier'>:0:Scale</span>, the histogram scale factor, <span
1890style='font-family:Courier'>:0:Back:</span>x (x=0-5), the six background
1891coefficients and <span style='font-family:Courier'>::constr0</span> which is
1892generated from the constraints. The phase factors, x<span style='font-family:
1893Courier'>:0:Scale</span> (x=1,2) are shown as constrained. </p>
1894
1895<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1896
1897<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1898style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
1899style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1900style='mso-bidi-font-weight:bold'>Use the </span><b><span style='font-family:
1901"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1902major-latin'>Calculate/Refine</span></b><span style='mso-bidi-font-weight:bold'>
1903main GSAS-II menu item</span> to initiate the refinement. Since the project has
1904not been saved, you will be asked to select a name (and optionally a directory)
1905for the GSAS-II project (.gpx) file.<span style='mso-spacerun:yes'>  </span>The
1906file name <span style='font-family:Courier'>SeqTut.gpx</span> is assumed here.
1907The refinement progresses quickly to a Rw of ~16%. </p>
1908
1909<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1910
1911<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1912style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
1913style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>There
1914are several additional variables that should now be added. One should always
1915refine a sample displacement parameter or perhaps instead a zero correction. In
1916this case, the best choice is to <span style='mso-bidi-font-weight:bold'>add
1917the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1918major-latin;mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
1919style='mso-bidi-font-weight:bold'>parameter</span> on the <b style='mso-bidi-font-weight:
1920normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1921major-latin;mso-hansi-theme-font:major-latin'>Sample Parameters</span></b>
1922section of histogram <b style='mso-bidi-font-weight:normal'><span
1923style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1924mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b>. (NB: a
1925data range &gt;&gt;90 degrees is needed before the Sample Y displ. term can be
1926included). Note that since this instrument is very well characterized, there is
1927no need to refine any of the instrumental terms. </p>
1928
1929<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1930
1931<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_13"
1932 o:spid="_x0000_s1040" type="#_x0000_t75" style='position:absolute;left:0;
1933 text-align:left;margin-left:230.4pt;margin-top:0;width:281.6pt;height:130.65pt;
1934 z-index:251666432;visibility:visible;mso-wrap-style:square;
1935 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1936 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1937 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1938 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1939 mso-position-vertical-relative:margin;mso-width-percent:0;
1940 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1941 <v:imagedata src="SequentialTutorial_files/image027.png" o:title=""/>
1942 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1943</v:shape><![endif]--><![if !vml]><img width=375 height=174
1944src="SequentialTutorial_files/image111.png" align=right hspace=12 v:shapes="Picture_x0020_13"><![endif]><span
1945style='mso-fareast-language:EN-US;mso-no-proof:yes'>Selecting</span><b> </b><span
1946style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span style='font-family:
1947"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1948major-latin'>PWDR OH_00.fxye Bank 1</span> </b><span style='mso-bidi-font-weight:
1949bold'>entry</span> shows the “Rietveld plot” and zooming in on different
1950regions of the pattern provides insight on how the fit could be improved. You can
1951alter the view to show the square root of the intensity (use the ‘<b
1952style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1953mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>S</span></b>’
1954key to toggle this). The background is not well fit in the low angle range and
1955examination shows a “hump” of low-angle scattering from ~4.5 to 6 degrees. This
1956is more easily fit by adding a background peak than extra terms to the
1957background function. <span style='mso-bidi-font-weight:bold'>Select the<b> </b></span><b><span
1958style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1959mso-hansi-theme-font:major-latin'>Background </span></b><span style='mso-bidi-font-weight:
1960bold'>item</span> in histogram <b style='mso-bidi-font-weight:normal'><span
1961style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1962mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and <span
1963style='mso-bidi-font-weight:bold'>change </span><b><span style='font-family:
1964"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1965major-latin'>Peaks in Background</span> </b><span style='mso-bidi-font-weight:
1966bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1967mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1</span>.</b><span
1968style='mso-spacerun:yes'>  </span><span style='mso-bidi-font-weight:bold'>Change
1969the<b> </b>peak position</span> (<b style='mso-bidi-font-weight:normal'><span
1970style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1971mso-hansi-theme-font:major-latin'>pos</span></b>) to the approximate peak
1972center (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1973mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>5.25</span></b>
1974degrees) and <span style='mso-bidi-font-weight:bold'>set the intensity (</span><b><span
1975style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1976mso-hansi-theme-font:major-latin'>int</span></b><span style='mso-bidi-font-weight:
1977bold'>) and Gaussian width<b> </b>(</span><b><span style='font-family:"Calibri",sans-serif;
1978mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>sig</span></b><span
1979style='mso-bidi-font-weight:bold'>) to be refined</span>.<span
1980style='mso-spacerun:yes'>  </span><b style='mso-bidi-font-weight:normal'><i
1981style='mso-bidi-font-style:normal'><u>Important</u></i></b>: note that one must
1982click on another box to ensure that input is recorded.</p>
1983
1984<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1985
1986<p class=MsoListParagraphCxSpMiddle>Once the fit has been improved we can then
1987add the position of this peak to the fit. </p>
1988
1989<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1990
1991<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_16"
1992 o:spid="_x0000_s1039" type="#_x0000_t75" style='position:absolute;left:0;
1993 text-align:left;margin-left:211.1pt;margin-top:0;width:262.3pt;height:253.7pt;
1994 z-index:251680768;visibility:visible;mso-wrap-style:square;
1995 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1996 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1997 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1998 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1999 mso-position-vertical-relative:margin;mso-width-percent:0;
2000 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2001 <v:imagedata src="SequentialTutorial_files/image029.png" o:title=""/>
2002 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2003</v:shape><![endif]--><![if !vml]><img width=350 height=338
2004src="SequentialTutorial_files/image112.png" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>While
2005in other projects I might postpone this until later, we can also start on
2006improving the peak fit. We will do this by varying the sample broadening for
2007the major phase (since the instrumental terms are very good.) <span
2008style='mso-bidi-font-weight:bold'>Select the first phase (</span><b><span
2009style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2010mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span style='mso-bidi-font-weight:
2011bold'>)</span> and its <b><span style='font-family:"Calibri",sans-serif;
2012mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
2013style='mso-bidi-font-weight:bold'>tab</span>, <span style='mso-bidi-font-weight:
2014bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
2015mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Cryst. Size</span></b><span
2016style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
2017mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b><span
2018style='mso-bidi-font-weight:bold'> parameters</span> to add them to the
2019fit.<span style='mso-spacerun:yes'>  </span></p>
2020
2021<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2022
2023<p class=MsoListParagraphCxSpMiddle>There are now 20 refined parameters and a
2024repeat of the fitting (Use the Calculate/Refine menu item) causes the fit to
2025improve to a wR of &lt;16%.</p>
2026
2027<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2028
2029<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
2030style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
2031style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>We
2032can now <span style='mso-bidi-font-weight:bold'>include the position flag (</span><b><span
2033style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2034mso-hansi-theme-font:major-latin'>pos/refine</span></b><span style='mso-bidi-font-weight:
2035bold'>) for the background peak</span> in the refinement. Do this at the <b
2036style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2037mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background</span></b>
2038item, as before. Be sure to click on some other box after clicking on the
2039refine flag, so that the setting is recorded. </p>
2040
2041<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2042
2043<p class=MsoListParagraphCxSpMiddle>Close examination of the pattern shows that
2044the peak widths are still not as well fit as desired. Since strain broadening
2045seems more significant that sample broadening, we could use an anisotropic
2046strain model. Rather than choosing the relatively complex generalized model, we
2047can introduce only two terms with the uniaxial model.<span
2048style='mso-spacerun:yes'>  </span>Trial and error will show that the 010
2049direction works best. Click on the first phase (<b style='mso-bidi-font-weight:
2050normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2051major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) and <b
2052style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2053mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2054tab and <span style='mso-bidi-font-weight:bold'>select<b> </b></span><b><span
2055style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2056mso-hansi-theme-font:major-latin'>uniaxial</span></b> for the <b
2057style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2058mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Mustrain
2059model</span></b> and <span style='mso-bidi-font-weight:bold'>use<b> </b></span><b><span
2060style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2061mso-hansi-theme-font:major-latin'>0 1 0</span> </b><span style='mso-bidi-font-weight:
2062bold'>for the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2063mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Unique axis</span></b><b
2064style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2065mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>, HKL</span></b>
2066. <span style='mso-bidi-font-weight:bold'>Select refinement for both </span><b><span
2067style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2068mso-hansi-theme-font:major-latin'>Equatorial</span></b><span style='mso-bidi-font-weight:
2069bold'> and </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2070major-latin;mso-hansi-theme-font:major-latin'>Axial mustrain</span>.</b> </p>
2071
2072<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2073
2074<p class=MsoListParagraphCxSpMiddle>Repeating the refinement causes the wR to
2075drop to ~14%. Clicking on the <b style='mso-bidi-font-weight:normal'><span
2076style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2077mso-hansi-theme-font:major-latin'>Covariance</span></b> data tree item shows
2078that the goodness of fit (GOF) is 1.16 (corresponding to a reduced <b
2079style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande";
2080color:black'>&#967;</span></b><sup>2</sup> of 1.2) with 23 refined parameters.
2081While atomic parameters could now be refined, as shown in the plot, this is
2082clearly a good enough place to start refinement with all the datasets. </p>
2083
2084<p class=MsoListParagraphCxSpLast><span style='mso-fareast-language:EN-US;
2085mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15" o:spid="_x0000_i1050"
2086 type="#_x0000_t75" style='width:339.75pt;height:255pt;visibility:visible;
2087 mso-wrap-style:square'>
2088 <v:imagedata src="SequentialTutorial_files/image031.png" o:title=""/>
2089</v:shape><![endif]--><![if !vml]><img width=453 height=340
2090src="SequentialTutorial_files/image113.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
2091
2092<h1>Step 2: Prepare for sequential fit. </h1>
2093
2094<p class=MsoListParagraph><o:p>&nbsp;</o:p></p>
2095
2096<p class=MsoNormal>There is one significant difference between fitting a
2097sequence of datasets versus fitting a single data set. Rather than fitting
2098lattice constants (for which there will be only one set for each phase in the
2099entire refinement), we will use the Hydrostatic/Elastic strain terms
2100(parameters &lt;p&gt;:&lt;h&gt;:Dxx) to treat the change in lattice parameters.
2101These items describe the change in lattice parameters and appear in the Phase
2102Data tab, where there is a set for each histogram assigned to the phase. We
2103will make a switch to use this for the current dataset, in preparation for the
2104sequential refinement with all datasets. </p>
2105
2106<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2107
2108<p class=MsoNormal>Also at this point we will temporarily remove variables that
2109could make the fit diverge as the lattice constants shift. As an example, when
2110initially fitting a model with peaks that overlap with the observed peaks, but
2111not very well, the fit might be improved by a change in the phase fractions
2112(that might eliminate our impurity CuO phase) or make peaks quite a bit broader
2113than appropriate, these changes are improbable and could result in a model that
2114is less correct than the starting point but still be a local LS minimum. In
2115such cases the best-fit model may never be found. Accordingly, we will turn off
2116refinement of all parameters except those that determine peak positions (the
2117Dxx terms) and the overall scale factor. We might include the background terms
2118since they are unlikely to affect convergence. </p>
2119
2120<p class=MsoNormal><span style='mso-spacerun:yes'> </span></p>
2121
2122<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2123style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2124style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2125style='mso-bidi-font-weight:bold'>Select the first phase<b> (</b></span><b><span
2126style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2127mso-hansi-theme-font:major-latin'>CuCr2O4</span>) </b><span style='mso-bidi-font-weight:
2128bold'>and on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2129mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>General</span>
2130</b><span style='mso-bidi-font-weight:bold'>tab</span>, click on the <b
2131style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2132mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
2133cell</span></b> option to <span style='mso-bidi-font-weight:bold'>turn off
2134refinement</span>. </p>
2135
2136<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
2137style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2138 id="Picture_x0020_9" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:404.25pt;
2139 height:86.25pt;visibility:visible;mso-wrap-style:square'>
2140 <v:imagedata src="SequentialTutorial_files/image033.png" o:title=""/>
2141</v:shape><![endif]--><![if !vml]><img width=539 height=115
2142src="SequentialTutorial_files/image114.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
2143
2144<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2145
2146<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2147style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2148style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
2149the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2150mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2151tab, <span style='mso-bidi-font-weight:bold'>click on the<b> </b></span><b><span
2152style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2153mso-hansi-theme-font:major-latin'>D11</span></b><span style='mso-bidi-font-weight:
2154bold'>, </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2155major-latin;mso-hansi-theme-font:major-latin'>D22</span></b><span
2156style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
2157mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D33</span></b><span
2158style='mso-bidi-font-weight:bold'> terms</span> to refine the lattice strain
2159terms. While here, to simplify convergence for the sequential refinement, where
2160lattice constants change significantly, <span style='mso-bidi-font-weight:bold'>turn
2161off the refinement of the three peak width terms and the phase fraction</span>.
2162The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2163mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2164window should look something like</p>
2165
2166<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
2167style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2168 id="Picture_x0020_72" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:264.75pt;
2169 height:254.25pt;visibility:visible;mso-wrap-style:square'>
2170 <v:imagedata src="SequentialTutorial_files/image035.png" o:title=""/>
2171</v:shape><![endif]--><![if !vml]><img width=353 height=339
2172src="SequentialTutorial_files/image115.png" v:shapes="Picture_x0020_72"><![endif]></span></p>
2173
2174<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2175
2176<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2177style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2178style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2179style='mso-bidi-font-weight:bold'>Click on the second phase</span> (<b
2180style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2181mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
2182and on the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2183major-latin;mso-hansi-theme-font:major-latin'>General</span></b><span
2184style='mso-bidi-font-weight:bold'> tab</span>, click on the <b><span
2185style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2186mso-hansi-theme-font:major-latin'>Refine unit cell</span></b><span
2187style='mso-bidi-font-weight:bold'> option</span> to turn off refinement. </p>
2188
2189<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2190
2191<p class=MsoListParagraphCxSpMiddle>On the <b><span style='font-family:"Calibri",sans-serif;
2192mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2193style='mso-bidi-font-weight:bold'> tab</span> for CuO, <span style='mso-bidi-font-weight:
2194bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
2195mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D11</span></b><span
2196style='mso-bidi-font-weight:bold'>, </span><b><span style='font-family:"Calibri",sans-serif;
2197mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D22</span></b><span
2198style='mso-bidi-font-weight:bold'>, and </span><b><span style='font-family:
2199"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2200major-latin'>D33</span></b><span style='mso-bidi-font-weight:bold'> terms</span>
2201to refine the lattice strain terms and <span style='mso-bidi-font-weight:bold'>turn
2202off refinement of the phase fraction</span>.<span style='mso-spacerun:yes'> 
2203</span>We could refine the <b style='mso-bidi-font-weight:normal'><span
2204style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2205mso-hansi-theme-font:major-latin'>D13</span></b> term (which corresponds to the
2206CuO &#946;* angle), but we do not expect this to change much and expect the
2207refinement to be relatively insensitive to this, due to the small number of CuO
2208peaks that are in the pattern.)</p>
2209
2210<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2211
2212<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2213mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_71" o:spid="_x0000_i1047"
2214 type="#_x0000_t75" style='width:264pt;height:252.75pt;visibility:visible;
2215 mso-wrap-style:square'>
2216 <v:imagedata src="SequentialTutorial_files/image037.png" o:title="" croptop="2615f"
2217  cropbottom="5827f" cropleft="4311f" cropright="4217f"/>
2218</v:shape><![endif]--><![if !vml]><img width=352 height=337
2219src="SequentialTutorial_files/image116.png" v:shapes="Picture_x0020_71"><![endif]></span></p>
2220
2221<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2222
2223<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2224style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2225style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Also
2226at this stage, <span style='mso-bidi-font-weight:bold'>turn off the all the
2227background refinement terms</span> by clicking on <b style='mso-bidi-font-weight:
2228normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2229major-latin;mso-hansi-theme-font:major-latin'>Background</span></b> on the
2230histogram tree item and removing checks from all items (be sure to click
2231elsewhere in the window before going on to the next step.) </p>
2232
2233<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2234
2235<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_33"
2236 o:spid="_x0000_s1038" type="#_x0000_t75" style='position:absolute;left:0;
2237 text-align:left;margin-left:126.25pt;margin-top:682.5pt;width:177.45pt;
2238 height:234pt;z-index:251684864;visibility:visible;mso-wrap-style:square;
2239 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2240 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2241 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2242 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2243 mso-position-vertical-relative:margin;mso-width-percent:0;
2244 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2245 <v:imagedata src="SequentialTutorial_files/image039.png" o:title="" croptop="2496f"
2246  cropbottom="6233f" cropleft="6198f" cropright="5868f"/>
2247 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2248</v:shape><![endif]--><![if !vml]><img width=237 height=312
2249src="SequentialTutorial_files/image117.png" align=right hspace=12 v:shapes="Picture_x0020_33"><![endif]><span
2250style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2251 id="Picture_x0020_13" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:290.25pt;
2252 height:134.25pt;visibility:visible;mso-wrap-style:square'>
2253 <v:imagedata src="SequentialTutorial_files/image041.png" o:title="" croptop="4264f"
2254  cropbottom="9111f" cropleft="3592f" cropright="4103f"/>
2255</v:shape><![endif]--><![if !vml]><img width=387 height=179
2256src="SequentialTutorial_files/image118.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
2257
2258<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2259
2260<p class=MsoListParagraphCxSpMiddle>Likewise, for the histogram Sample
2261Parameters, <span style='mso-bidi-font-weight:bold'>turn off the<b> </b></span><b><span
2262style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2263mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
2264style='mso-bidi-font-weight:bold'>parameter</span> by clicking on the <b
2265style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2266mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2267Parameters</span></b> item in the histogram entries.</p>
2268
2269<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2270
2271<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2272style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
2273style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>One
2274can confirm that the number of parameters is now 7 (3 Dxx terms for phase 1, 3
2275Dxx terms for phase 2 and a scale factor.) If the refinement is repeated, the
2276fit quality does not change, since these parameters are completely equivalent
2277to the previous. There may result in very non-zero values for the Dxx
2278parameters, but these are much smaller than their uncertainties and are thus
2279within noise of zero. </p>
2280
2281<h1>Step 3: Import the remaining datasets and duplicate information across
2282histograms.</h1>
2283
2284<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2285
2286<p class=MsoNormal>In this step we bring in the remaining data, duplicate the
2287histogram parameters as well as the phase/histogram parameters and set up to
2288perform a sequential fit. </p>
2289
2290<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2291
2292<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2293style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2294style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2295 id="Picture_x0020_17" o:spid="_x0000_s1037" type="#_x0000_t75" style='position:absolute;
2296 left:0;text-align:left;margin-left:109.05pt;margin-top:576.2pt;width:160.25pt;
2297 height:156.85pt;z-index:251681792;visibility:visible;mso-wrap-style:square;
2298 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2299 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2300 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2301 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2302 mso-position-vertical-relative:margin;mso-width-percent:0;
2303 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2304 <v:imagedata src="SequentialTutorial_files/image043.png" o:title="" croptop="3745f"
2305  cropbottom="9062f" cropleft="6179f" cropright="6822f"/>
2306 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2307</v:shape><![endif]--><![if !vml]><img width=214 height=209
2308src="SequentialTutorial_files/image119.png" align=right hspace=12 v:shapes="Picture_x0020_17"><![endif]>The
2309remaining datasets are read <span style='mso-bidi-font-weight:bold'>using<b> </b></span><b><span
2310style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2311mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
2312to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
2313</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2314major-latin;mso-hansi-theme-font:major-latin'>zip archive</span> </b><span
2315style='mso-bidi-font-weight:bold'>and the downloaded<b> </b></span><b><span
2316style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2317mso-hansi-theme-font:major-latin'>SeqTut.zip</span></b> file. <span
2318style='mso-bidi-font-weight:bold'>Select all the .</span><b><span
2319style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2320mso-hansi-theme-font:major-latin'>fxye</span></b><span style='mso-bidi-font-weight:
2321bold'> files</span> except <b style='mso-bidi-font-weight:normal'><span
2322style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2323mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b> (use of the filter can
2324again be helpful to show just the data file; press <b style='mso-bidi-font-weight:
2325normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2326major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b> and then
2327unselect the one unneeded file). </p>
2328
2329<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2330
2331<p class=MsoListParagraphCxSpMiddle>This time one must <span style='mso-bidi-font-weight:
2332bold'>select the instrument parameter file</span>. </p>
2333
2334<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2335mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_i1045"
2336 type="#_x0000_t75" style='width:298.5pt;height:203.25pt;visibility:visible;
2337 mso-wrap-style:square'>
2338 <v:imagedata src="SequentialTutorial_files/image045.png" o:title="" croptop="3160f"
2339  cropbottom="7136f" cropleft="3738f" cropright="3737f"/>
2340</v:shape><![endif]--><![if !vml]><img width=398 height=271
2341src="SequentialTutorial_files/image120.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
2342
2343<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2344
2345<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>Set
2346all data sets to use the two phases</span>, as before in step 1 #6. </p>
2347
2348<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2349
2350<p class=MsoListParagraphCxSpMiddle>Note that the files must be read in in the
2351sequence they will be processed. This is not an issue here, but for some
2352sequential refinements, one may need to use multiple Import operations to read
2353the files in the desired order or rename files so they are listed in the
2354correct order in the file browser. </p>
2355
2356<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2357
2358<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_18"
2359 o:spid="_x0000_s1036" type="#_x0000_t75" style='position:absolute;left:0;
2360 text-align:left;margin-left:105.35pt;margin-top:0;width:156.55pt;height:84.25pt;
2361 z-index:251667456;visibility:visible;mso-wrap-style:square;
2362 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2363 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2364 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2365 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
2366 mso-position-vertical-relative:margin;mso-width-percent:0;
2367 mso-height-percent:0;mso-width-relative:margin;mso-height-relative:page'>
2368 <v:imagedata src="SequentialTutorial_files/image047.png" o:title=""/>
2369 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2370</v:shape><![endif]--><![if !vml]><img width=209 height=112
2371src="SequentialTutorial_files/image121.png" align=right hspace=12 v:shapes="Picture_x0020_18"><![endif]>Optional:
2372Note that the default graphics mode is to display the last dataset read
2373in.<span style='mso-spacerun:yes'>  </span>If you want to see the entire
2374ensemble of data sets, click on the main entry for any of the datasets (for example
2375<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2376mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>PWDR
2377OH_00.fxye Bank 1</span></b>), click on the frame of the plot window and press
2378the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2379mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>”
2380key.<span style='mso-spacerun:yes'>  </span>(Alternately, press the “<b
2381style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2382mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2383icon from the list at the bottom of plot, between the “floppy disk” and
2384“question mark” icons and then select “<b style='mso-bidi-font-weight:normal'><span
2385style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2386mso-hansi-theme-font:major-latin'>m: toggle multidata plot</span></b>” from the
2387pop-up window). The ‘<b style='mso-bidi-font-weight:normal'><span
2388style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2389mso-hansi-theme-font:major-latin'>U</span></b>’, ’<b style='mso-bidi-font-weight:
2390normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2391major-latin;mso-hansi-theme-font:major-latin'>D</span></b>’, ’<b
2392style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2393mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>R</span></b>’
2394&amp; ‘<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2395mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>L</span></b>’
2396keys control the appearance of a ‘waterfall plot’. You can then select the ‘<b
2397style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2398mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>C</span></b>’
2399key for a contour plot of all the data; use ‘<b style='mso-bidi-font-weight:
2400normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2401major-latin;mso-hansi-theme-font:major-latin'>U</span></b>’ and ‘<b
2402style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2403mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D</span></b>’
2404keys to change the contrast.</p>
2405
2406<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2407mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_14" o:spid="_x0000_i1044"
2408 type="#_x0000_t75" style='width:525pt;height:450pt;visibility:visible;
2409 mso-wrap-style:square'>
2410 <v:imagedata src="SequentialTutorial_files/image049.png" o:title=""/>
2411</v:shape><![endif]--><![if !vml]><img width=700 height=600
2412src="SequentialTutorial_files/image049.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
2413
2414<p class=MsoListParagraphCxSpLast>I’ve use ‘<b style='mso-bidi-font-weight:
2415normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2416major-latin;mso-hansi-theme-font:major-latin'>D</span></b>’ to increase the
2417contrast &amp; zoomed in to a location that shows the effect of temperature on
2418the peak positions.</p>
2419
2420<h1>Step 4: Import the remaining datasets and duplicate information across
2421histograms.</h1>
2422
2423<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2424
2425<p class=MsoNormal>In this step we bring in the remaining data, duplicate the
2426histogram parameters as well as the phase/histogram parameters and set up to
2427perform a sequential fit. </p>
2428
2429<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2430
2431<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
2432style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2433style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2434 id="Picture_x0020_19" o:spid="_x0000_s1035" type="#_x0000_t75" style='position:absolute;
2435 left:0;text-align:left;margin-left:18.3pt;margin-top:9.2pt;width:69.5pt;
2436 height:33pt;z-index:251668480;visibility:visible;mso-wrap-style:square;
2437 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2438 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2439 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2440 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2441 mso-position-vertical-relative:margin;mso-width-percent:0;
2442 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2443 <v:imagedata src="SequentialTutorial_files/image050.png" o:title=""/>
2444 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2445</v:shape><![endif]--><![if !vml]><img width=93 height=44
2446src="SequentialTutorial_files/image122.jpg" align=right hspace=12 v:shapes="Picture_x0020_19"><![endif]>Copy
2447the histogram parameters from the first histogram to the new ones: <span
2448style='mso-bidi-font-weight:bold'>Select the original </span><b><span
2449style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2450mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b><span
2451style='mso-bidi-font-weight:bold'> entry</span>. Use menu command <b><span
2452style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2453mso-hansi-theme-font:major-latin'>Commands/Copy params</span></b>. </p>
2454
2455<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2456
2457<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_20"
2458 o:spid="_x0000_s1034" type="#_x0000_t75" style='position:absolute;left:0;
2459 text-align:left;margin-left:111.35pt;margin-top:45.2pt;width:162.55pt;
2460 height:159.05pt;z-index:251669504;visibility:visible;mso-wrap-style:square;
2461 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2462 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2463 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2464 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2465 mso-position-vertical-relative:margin;mso-width-percent:0;
2466 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2467 <v:imagedata src="SequentialTutorial_files/image052.png" o:title=""/>
2468 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2469</v:shape><![endif]--><![if !vml]><img width=217 height=212
2470src="SequentialTutorial_files/image123.png" align=right hspace=12 v:shapes="Picture_x0020_20"><![endif]>This
2471causes a dialog box where the sections to be copied are selected. We need to
2472duplicate the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2473"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2474major-latin'>Limits</span></b>, <b style='mso-bidi-font-weight:normal'><span
2475style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2476mso-hansi-theme-font:major-latin'>Background</span></b> and <b
2477style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2478mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2479Parameters</span></b> between all histograms. The <b style='mso-bidi-font-weight:
2480normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2481major-latin;mso-hansi-theme-font:major-latin'>Instrument Parameters</span></b>
2482have not been changed in this exercise and are all read from the same
2483instrument parameter file, but there is no harm in copying them, so the default
2484entries do not need to be changed. <span style='mso-bidi-font-weight:bold'>Press<b>
2485</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2486major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>. Note that all
2487parameters are copied except measurement information such as setting angles,
2488temperature, etc. </p>
2489
2490<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2491
2492<p class=MsoListParagraphCxSpMiddle>An additional dialog window is shown which
2493asks which histograms should receive the parameters. <span style='mso-bidi-font-weight:
2494bold'>Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2495mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b><span
2496style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2497mso-hansi-theme-font:major-latin'> </span>to select all remaining histograms
2498and then <span style='mso-bidi-font-weight:bold'>press<b> </b></span><b><span
2499style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2500mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
2501
2502<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2503
2504<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2505mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_20" o:spid="_x0000_i1043"
2506 type="#_x0000_t75" style='width:161.25pt;height:159pt;visibility:visible;
2507 mso-wrap-style:square'>
2508 <v:imagedata src="SequentialTutorial_files/image054.png" o:title="" croptop="3169f"
2509  cropbottom="8776f" cropleft="6460f" cropright="6263f"/>
2510</v:shape><![endif]--><![if !vml]><img width=215 height=212
2511src="SequentialTutorial_files/image124.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
2512
2513<p class=MsoListParagraphCxSpLast>That the copy has been performed can be
2514demonstrated by examining any of the additional histogram plots (to see the
2515changed lower limit), etc. Next we need to copy the Phase/Histogram parameters
2516within each phase. </p>
2517
2518<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2519
2520<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
2521style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2522style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2523style='mso-bidi-font-weight:bold'>Select the first phase</span> (<b
2524style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2525mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>)
2526and its <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2527major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2528style='mso-bidi-font-weight:bold'> tab</span>. Then press the <b><span
2529style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2530mso-hansi-theme-font:major-latin'>Copy data</span></b><span style='mso-bidi-font-weight:
2531bold'> button for </span><b><span style='font-family:"Calibri",sans-serif;
2532mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>PWDR
2533OH_00.fxye Bank 1</span></b>;</p>
2534
2535<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2536mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_16" o:spid="_x0000_i1042"
2537 type="#_x0000_t75" style='width:272.25pt;height:312pt;visibility:visible;
2538 mso-wrap-style:square'>
2539 <v:imagedata src="SequentialTutorial_files/image056.png" o:title=""/>
2540</v:shape><![endif]--><![if !vml]><img width=363 height=416
2541src="SequentialTutorial_files/image125.png" v:shapes="Picture_x0020_16"><![endif]></span><span
2542style='mso-spacerun:yes'> </span></p>
2543
2544<p class=MsoListParagraphCxSpMiddle>a dialog window appears to select where to
2545copy the parameters. At present GSAS-II includes the originating dataset in the
2546list, and there is no harm in copying parameters to all histograms (including
2547the origin), but this is a good chance to show how the toggle button is used. <span
2548style='mso-bidi-font-weight:bold'>Select only the<b> </b></span><b><span
2549style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2550mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b> entry. Then press the <b><span
2551style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2552mso-hansi-theme-font:major-latin'>Toggle All</span></b> button to invert the
2553selections. Then <span style='mso-bidi-font-weight:bold'>press<b> </b></span><b><span
2554style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2555mso-hansi-theme-font:major-latin'>OK</span></b>.</p>
2556
2557<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2558
2559<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2560mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_23" o:spid="_x0000_i1041"
2561 type="#_x0000_t75" style='width:171.75pt;height:158.25pt;visibility:visible;
2562 mso-wrap-style:square'>
2563 <v:imagedata src="SequentialTutorial_files/image058.png" o:title="" croptop="3456f"
2564  cropbottom="9070f" cropleft="5898f" cropright="3179f"/>
2565</v:shape><![endif]--><![if !vml]><img width=229 height=211
2566src="SequentialTutorial_files/image126.png" v:shapes="Picture_x0020_23"><![endif]><!--[if gte vml 1]><v:shape
2567 id="Picture_x0020_22" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:156.75pt;
2568 height:156.75pt;visibility:visible;mso-wrap-style:square'>
2569 <v:imagedata src="SequentialTutorial_files/image060.png" o:title="" croptop="3744f"
2570  cropbottom="9050f" cropleft="6461f" cropright="7653f"/>
2571</v:shape><![endif]--><![if !vml]><img width=209 height=209
2572src="SequentialTutorial_files/image127.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
2573
2574<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2575
2576<p class=MsoListParagraphCxSpMiddle>It can be verified that the copy took place
2577by clicking “Show” for additional banks. </p>
2578
2579<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2580
2581<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
2582style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2583style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2584style='mso-bidi-font-weight:bold'>Copy the Phase/Histogram parameters within
2585the second phase</span> by clicking on it (<b style='mso-bidi-font-weight:normal'><span
2586style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2587mso-hansi-theme-font:major-latin'>CuO</span></b>) in the data tree (and
2588possibly on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2589"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2590major-latin'>Data</span></b> tab.) Then press the <b><span style='font-family:
2591"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2592major-latin'>Copy?</span> </b><span style='mso-bidi-font-weight:bold'>button</span>
2593and <span style='mso-bidi-font-weight:bold'>select the histograms</span> as
2594done in the previous step</p>
2595
2596<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2597
2598<h1>Step 5: Setup and start the sequential refinement. </h1>
2599
2600<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2601
2602<p class=MsoNormal>At this point we determine which histograms will be used in
2603the fit and set that the resulting parameters from the results of each
2604refinement will be used for the subsequent refinements.</p>
2605
2606<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2607
2608<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2609style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2610style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2611 id="Picture_x0020_24" o:spid="_x0000_s1033" type="#_x0000_t75" style='position:absolute;
2612 left:0;text-align:left;margin-left:111.65pt;margin-top:90.2pt;width:162.85pt;
2613 height:156.85pt;z-index:251682816;visibility:visible;mso-wrap-style:square;
2614 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2615 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2616 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2617 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2618 mso-position-vertical-relative:margin;mso-width-percent:0;
2619 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2620 <v:imagedata src="SequentialTutorial_files/image062.png" o:title="" croptop="4033f"
2621  cropbottom="8773f" cropleft="6179f" cropright="5980f"/>
2622 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2623</v:shape><![endif]--><![if !vml]><img width=217 height=209
2624src="SequentialTutorial_files/image128.png" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>First,
2625<span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
2626style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2627mso-hansi-theme-font:major-latin'>Controls</span> </b><span style='mso-bidi-font-weight:
2628bold'>item</span> in the data tree and press the <b><span style='font-family:
2629"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2630major-latin'>Select data</span> </b><span style='mso-bidi-font-weight:bold'>button</span>.
2631</p>
2632
2633<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2634mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_25" o:spid="_x0000_i1039"
2635 type="#_x0000_t75" style='width:267pt;height:84.75pt;visibility:visible;
2636 mso-wrap-style:square'>
2637 <v:imagedata src="SequentialTutorial_files/image064.png" o:title=""/>
2638</v:shape><![endif]--><![if !vml]><img width=356 height=113
2639src="SequentialTutorial_files/image129.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
2640
2641<p class=MsoListParagraphCxSpMiddle>This opens a window where all histograms can
2642be selected (it would be equally valid to skip the first histogram, since that
2643has already been fully fit). <span style='mso-bidi-font-weight:bold'>Press<b> </b></span><b><span
2644style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2645mso-hansi-theme-font:major-latin'>OK</span></b> and note that the <b
2646style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2647mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Controls</span></b>
2648window now lists the number of datasets in the sequential refinement and two
2649new controls. </p>
2650
2651<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2652
2653<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2654style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2655style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2656 id="Picture_x0020_34" o:spid="_x0000_s1032" type="#_x0000_t75" style='position:absolute;
2657 left:0;text-align:left;margin-left:218.8pt;margin-top:225.2pt;width:270pt;
2658 height:95.75pt;z-index:251683840;visibility:visible;mso-wrap-style:square;
2659 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2660 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2661 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2662 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2663 mso-position-vertical-relative:margin;mso-width-percent:0;
2664 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2665 <v:imagedata src="SequentialTutorial_files/image066.png" o:title="" croptop="5426f"
2666  cropbottom="12546f" cropleft="3993f" cropright="3707f"/>
2667 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2668</v:shape><![endif]--><![if !vml]><img width=360 height=128
2669src="SequentialTutorial_files/image130.png" align=right hspace=12 v:shapes="Picture_x0020_34"><![endif]><span
2670style='mso-bidi-font-weight:bold'>Check the<b> </b></span><b><span
2671style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2672mso-hansi-theme-font:major-latin'>Copy results to next histogram</span> </b><span
2673style='mso-bidi-font-weight:bold'>checkbox</span>. This is essential. If this
2674is not selected, then every refinement will start with the current parameters
2675(which are all identical, since they were set with the Copy operations.) The
2676first few refinements will go well, but after the temperature has changed
2677enough, the starting lattice parameters (determined from the cell and Dxx
2678values) will be too far off and the refinements will fail. </p>
2679
2680<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2681
2682<p class=MsoListParagraphCxSpMiddle>Note that the Reverse order checkbox causes
2683the sequential refinement to start with the last histogram, not the first.
2684Sometimes this is useful, but not here. </p>
2685
2686<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2687
2688<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2689style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2690style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2691style='mso-bidi-font-weight:bold'>Change </span><b><span style='font-family:
2692"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2693major-latin'>Max cycles</span></b><span style='mso-bidi-font-weight:bold'> to<b>
2694</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2695major-latin;mso-hansi-theme-font:major-latin'>10</span>.</b> This is important,
2696so that refinements have enough cycles to fully adjust to the changes in
2697lattice parameters before being used as the starting point for the next
2698refinement. </p>
2699
2700<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2701
2702<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2703style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2704style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2705 id="Picture_x0020_28" o:spid="_x0000_s1031" type="#_x0000_t75" style='position:absolute;
2706 left:0;text-align:left;margin-left:28.3pt;margin-top:513.2pt;width:79.5pt;
2707 height:51.5pt;z-index:251671552;visibility:visible;mso-wrap-style:square;
2708 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2709 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2710 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2711 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2712 mso-position-vertical-relative:margin;mso-width-percent:0;
2713 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2714 <v:imagedata src="SequentialTutorial_files/image068.png" o:title=""/>
2715 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2716</v:shape><![endif]--><![if !vml]><img width=106 height=69
2717src="SequentialTutorial_files/image131.jpg" align=right hspace=12 v:shapes="Picture_x0020_28"><![endif]>Start
2718the sequential refinement with <b><span style='font-family:"Calibri",sans-serif;
2719mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
2720refine</span></b><span style='mso-bidi-font-weight:bold'>; this will take some
2721time as the refinement works its way through all the histograms.</span></p>
2722
2723<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2724
2725<p class=MsoListParagraphCxSpMiddle>Note that if the copy operations in <b
2726style='mso-bidi-font-weight:normal'>Step 4</b> were not performed correctly,
2727the parameters in each refinement will not agree and the refinement will stop
2728with an error such as this: </p>
2729
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2777" filled="f" strokecolor="#4f81bd">
2778  <v:path arrowok="t"/>
2779  <v:textbox>
2780   <![if !mso]>
2781   <table cellpadding=0 cellspacing=0 width="100%">
2782    <tr>
2783     <td><![endif]>
2784     <div>
2785     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>****
2786     ERROR - variable list for this histogram does not match previous<o:p></o:p></span></p>
2787     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
2788     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>current
2789     histogram PWDR OH_04.fxye Bank 1 has 6 variables<o:p></o:p></span></p>
2790     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
2791     in previous but not in current: 1::D22, 1::D33, 1::D11, <o:p></o:p></span></p>
2792     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
2793     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Previous
2794     refinement has 7 variables<o:p></o:p></span></p>
2795     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
2796     in current but not in previous: 1::Scale, 1::Mustrain;i, <o:p></o:p></span></p>
2797     <p class=MsoNormal><span style='font-family:"Cambria",serif'><o:p>&nbsp;</o:p></span></p>
2798     </div>
2799     <![if !mso]></td>
2800    </tr>
2801   </table>
2802   <![endif]></v:textbox>
2803  <w:wrap type="topAndBottom"/>
2804 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
2805 <table cellpadding=0 cellspacing=0>
2806  <tr>
2807   <td width=48 height=0></td>
2808  </tr>
2809  <tr>
2810   <td></td>
2811   <td><img width=572 height=108 src="SequentialTutorial_files/image132.png"
2812   alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#10;&#13;&#10;current histogram PWDR OH_04.fxye Bank 1 has 6 variables&#13;&#10;Variables in previous but not in current: 1::D22, 1::D33, 1::D11, &#13;&#10;&#13;&#10;Previous refinement has 7 variables&#13;&#10;Variables in current but not in previous: 1::Scale, 1::Mustrain;i, &#13;&#10;&#13;&#10;"
2813   v:shapes="Text_x0020_Box_x0020_3"></td>
2814  </tr>
2815 </table>
2816 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
2817style='mso-ignore:vglayout' clear=ALL>
2818(This error results if the parameters for the second phase were not copied in
2819part 3 so that the phase fraction and strain broadening are retained for all
2820but the first histogram and the 1::D<i style='mso-bidi-font-style:normal'>ii</i>
2821terms are only included the first.)</p>
2822
2823<h1>Step 6: Examine the sequential refinement results.</h1>
2824
2825<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2826
2827<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo14'><![if !supportLists]><span
2828style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2829style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>When
2830the refinement completes, a window will be displayed where you are asked if you
2831want to load the results:</p>
2832
2833<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2834
2835<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
2836  id="Picture_x0020_29" o:spid="_x0000_s1029" type="#_x0000_t75" style='position:absolute;
2837  left:0;text-align:left;margin-left:78.4pt;margin-top:-102.75pt;width:240.4pt;
2838  height:77.1pt;z-index:251686912;visibility:visible;mso-wrap-style:square;
2839  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2840  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2841  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
2842  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
2843  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
2844  mso-width-relative:page;mso-height-relative:page'>
2845  <v:imagedata src="SequentialTutorial_files/image071.png" o:title=""
2846   croptop="5978f" cropbottom="14816f" cropleft="4284f" cropright="4357f"/>
2847  <w:wrap type="topAndBottom"/>
2848 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
2849 <table cellpadding=0 cellspacing=0 align=left>
2850  <tr>
2851   <td width=104 height=0></td>
2852  </tr>
2853  <tr>
2854   <td></td>
2855   <td><img width=321 height=103 src="SequentialTutorial_files/image133.png"
2856   v:shapes="Picture_x0020_29"></td>
2857  </tr>
2858 </table>
2859 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
2860style='mso-ignore:vglayout' clear=ALL>
2861</p>
2862
2863<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>After
2864doing </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2865major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>, the <b
2866style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2867mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sequential
2868Results</span></b> item in the data tree is automatically selected, which
2869displays a summary of the refinement results as a large table. </p>
2870
2871<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2872
2873<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2874mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_54" o:spid="_x0000_i1038"
2875 type="#_x0000_t75" style='width:525pt;height:262.5pt;visibility:visible;
2876 mso-wrap-style:square'>
2877 <v:imagedata src="SequentialTutorial_files/image073.png" o:title=""/>
2878</v:shape><![endif]--><![if !vml]><img width=700 height=350
2879src="SequentialTutorial_files/image134.png" v:shapes="Picture_x0020_54"><![endif]></span></p>
2880
2881<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2882
2883<p class=MsoListParagraphCxSpMiddle>The second column shows the weighted profile
2884R-factor, from each fit. This shows a steady increase with temperature, as
2885might be expected if there were a systematic change in some sample parameters,
2886such as strain or background or even atomic coordinates (which have not yet
2887been fit). The &#916;&#967;<sup>2</sup> value in the third column shows the
2888percent improvement in &#967;<sup>2</sup> seen in the last cycle of refinement.
2889(If this changes from 4.1 to 4.0, then the value will be 100*(4.1-4.0)/4.0, or
28902.5). Since the convergence criterion in the controls is 0.0001 (or 0.01%) we
2891can see that only one refinement failed to converge. However, these shifts are
2892still quite small, so that there is no reason to provide further cycles of
2893refinement without adding new variable parameters. </p>
2894
2895<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2896
2897<p class=MsoListParagraphCxSpMiddle>Subsequent columns will show any of the
2898sample parameters that vary across the datasets, here only temperature and then
2899the direct cell lattice constants for each phase, generated from the A<i
2900style='mso-bidi-font-style:normal'>x</i> and D<i style='mso-bidi-font-style:
2901normal'>ij</i> terms. Scrolling further shows the values of each refined
2902parameter. </p>
2903
2904<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2905
2906<p class=MsoListParagraphCxSpMiddle>Before going farther, it is useful to
2907review the trends in the lattice parameters as a sanity check. This can be done
2908by <span style='mso-bidi-font-weight:bold'>double-clicking on a column of the
2909table</span>, such as the <b style='mso-bidi-font-weight:normal'><span
2910style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2911mso-hansi-theme-font:major-latin'>0::b</span></b> parameter, which displays
2912this plot:</p>
2913
2914<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2915
2916<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2917mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42" o:spid="_x0000_i1037"
2918 type="#_x0000_t75" style='width:349.5pt;height:300pt;visibility:visible;
2919 mso-wrap-style:square'>
2920 <v:imagedata src="SequentialTutorial_files/image075.png" o:title=""/>
2921</v:shape><![endif]--><![if !vml]><img width=466 height=400
2922src="SequentialTutorial_files/image135.jpg" v:shapes="Picture_x0020_42"><![endif]></span></p>
2923
2924<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2925
2926<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_43"
2927 o:spid="_x0000_s1028" type="#_x0000_t75" style='position:absolute;left:0;
2928 text-align:left;margin-left:108.85pt;margin-top:423.2pt;width:160.05pt;
2929 height:154.9pt;z-index:251687936;visibility:visible;mso-wrap-style:square;
2930 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2931 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2932 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2933 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2934 mso-position-vertical-relative:margin;mso-width-percent:0;
2935 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2936 <v:imagedata src="SequentialTutorial_files/image077.png" o:title="" croptop="4537f"
2937  cropbottom="8924f" cropleft="6531f" cropright="6547f"/>
2938 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2939</v:shape><![endif]--><![if !vml]><img width=213 height=207
2940src="SequentialTutorial_files/image136.png" align=right hspace=12 v:shapes="Picture_x0020_43"><![endif]>Pressing
2941the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2942mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2943icon or <span style='mso-bidi-font-weight:bold'>pressing the “</span><b><span
2944style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2945mso-hansi-theme-font:major-latin'>s</span></b><span style='mso-bidi-font-weight:
2946bold'>” key</span> brings up a menu where the x-axis can be selected as
2947temperature. If the plot fails to update, click on another column and then
2948return to the original column. </p>
2949
2950<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2951
2952<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2953mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_45" o:spid="_x0000_i1036"
2954 type="#_x0000_t75" style='width:291.75pt;height:222pt;visibility:visible;
2955 mso-wrap-style:square'>
2956 <v:imagedata src="SequentialTutorial_files/image079.png" o:title=""/>
2957</v:shape><![endif]--><![if !vml]><img width=389 height=296
2958src="SequentialTutorial_files/image137.jpg" v:shapes="Picture_x0020_45"><![endif]></span></p>
2959
2960<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2961
2962<h1>Step 7: Continue the sequential refinement. </h1>
2963
2964<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2965
2966<p class=MsoNormal>At this point we choose to continue the refinements from
2967their current values (note that the <b style='mso-bidi-font-weight:normal'><span
2968style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2969mso-hansi-theme-font:major-latin'>Copy results to next histogram</span></b>
2970checkbox is automatically unchecked after a successful sequential refinement.)
2971including some additional parameters in the refinement. We will do this is a
2972few steps. </p>
2973
2974<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2975style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2976style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2977style='mso-bidi-font-weight:bold'>Restore the refinement of background
2978parameters</span> as before for any one histogram and then <span
2979style='mso-bidi-font-weight:bold'>use the<b> </b></span><b><span
2980style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2981mso-hansi-theme-font:major-latin'>File/Copy flags</span></b> menu item to copy
2982these refinement flags (only) to all other histograms. NB: <b style='mso-bidi-font-weight:
2983normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2984major-latin;mso-hansi-theme-font:major-latin'>Copy</span></b> would copy the
2985parameter values as well; probably don’t want to do that here. </p>
2986
2987<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2988
2989<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2990mso-no-proof:yes'><span style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape
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2992 height:132pt;visibility:visible;mso-wrap-style:square'>
2993 <v:imagedata src="SequentialTutorial_files/image081.png" o:title="" croptop="4514f"
2994  cropbottom="9604f" cropleft="4103f" cropright="3837f"/>
2995</v:shape><![endif]--><![if !vml]><img width=384 height=176
2996src="SequentialTutorial_files/image138.png" v:shapes="Picture_x0020_47"><![endif]><o:p></o:p></span></p>
2997
2998<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2999
3000<p class=MsoListParagraphCxSpLast><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
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3003 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
3004 mso-height-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
3005 mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
3006 mso-position-horizontal:left;mso-position-horizontal-relative:margin;
3007 mso-position-vertical:top;mso-position-vertical-relative:margin;
3008 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
3009 mso-height-relative:page'>
3010 <v:imagedata src="SequentialTutorial_files/image083.png" o:title=""/>
3011 <w:wrap type="square" anchorx="margin" anchory="margin"/>
3012</v:shape><![endif]--><![if !vml]><img width=75 height=47
3013src="SequentialTutorial_files/image139.jpg" align=left hspace=12 v:shapes="Picture_x0020_48"><![endif]><span
3014style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3015 id="Picture_x0020_49" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:158.25pt;
3016 height:152.25pt;visibility:visible;mso-wrap-style:square'>
3017 <v:imagedata src="SequentialTutorial_files/image085.png" o:title=""/>
3018</v:shape><![endif]--><![if !vml]><img width=211 height=203
3019src="SequentialTutorial_files/image140.jpg" v:shapes="Picture_x0020_49"><![endif]></span></p>
3020
3021<p class=MsoNormal><o:p>&nbsp;</o:p></p>
3022
3023<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
3025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Likewise,
3026<span style='mso-bidi-font-weight:bold'>include the<b> </b></span><b><span
3027style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3028mso-hansi-theme-font:major-latin'>Sample X displ</span></b> parameter and again
3029use the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3030major-latin;mso-hansi-theme-font:major-latin'>Command/Copy flags</span> </b><span
3031style='mso-bidi-font-weight:bold'>menu item<b>.</b></span> </p>
3032
3033<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3034
3035<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3036mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84" o:spid="_x0000_i1033"
3037 type="#_x0000_t75" alt="Description: BHT3 HD:private:tmp:s1.png" style='width:177.75pt;
3038 height:233.25pt;visibility:visible;mso-wrap-style:square'>
3039 <v:imagedata src="SequentialTutorial_files/image087.png" o:title="s1"
3040  croptop="2496f" cropbottom="6549f" cropleft="5811f" cropright="6065f"/>
3041</v:shape><![endif]--><![if !vml]><img width=237 height=311
3042src="SequentialTutorial_files/image141.png"
3043alt="Description: BHT3 HD:private:tmp:s1.png" v:shapes="Picture_x0020_84"><![endif]></span></p>
3044
3045<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3046
3047<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3048style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
3049style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>For
3050Phase parameters <span style='mso-bidi-font-weight:bold'>add the three
3051broadening terms</span> for the CuCr<sub>2</sub>O<sub>4</sub> phase and the <span
3052style='mso-bidi-font-weight:bold'>press the<b> </b></span><b><span
3053style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3054mso-hansi-theme-font:major-latin'>Copy flags?</span> </b><span
3055style='mso-bidi-font-weight:bold'>button</span>. (Important: not the Copy button!)
3056For the <span style='mso-bidi-font-weight:bold'>CuO phase, add the single
3057sample broadening term and the remaining lattice parameter</span> via the <b
3058style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3059mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D13</span></b>
3060term.<span style='mso-spacerun:yes'>  </span>Again, <span style='mso-bidi-font-weight:
3061bold'>use the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
3062mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Copy flags?</span>
3063</b><span style='mso-bidi-font-weight:bold'>button</span>. Note that an
3064additional step is needed in order to vary Phase fractions, as will be
3065discussed below. </p>
3066
3067<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3068
3069<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3070mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52" o:spid="_x0000_i1032"
3071 type="#_x0000_t75" style='width:249pt;height:180.75pt;visibility:visible;
3072 mso-wrap-style:square'>
3073 <v:imagedata src="SequentialTutorial_files/image089.png" o:title=""/>
3074</v:shape><![endif]--><![if !vml]><img width=332 height=241
3075src="SequentialTutorial_files/image142.jpg" v:shapes="Picture_x0020_52"><![endif]></span></p>
3076
3077<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3078
3079<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3080mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53" o:spid="_x0000_i1031"
3081 type="#_x0000_t75" style='width:249pt;height:186.75pt;visibility:visible;
3082 mso-wrap-style:square'>
3083 <v:imagedata src="SequentialTutorial_files/image091.png" o:title=""/>
3084</v:shape><![endif]--><![if !vml]><img width=332 height=249
3085src="SequentialTutorial_files/image143.jpg" v:shapes="Picture_x0020_53"><![endif]></span></p>
3086
3087<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3088
3089<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3090style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
3091style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Start
3092the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3093mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3094refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
3095fits are significantly improved at higher temperatures, with R<sub>wp</sub>
3096values between 13.8 and 17.</p>
3097
3098<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3099
3100<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3101style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
3102style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>We
3103can now add the phase fractions into the refinement, by clicking on the <b
3104style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3105mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase
3106fraction</span></b> checkbox and <b style='mso-bidi-font-weight:normal'><span
3107style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3108mso-hansi-theme-font:major-latin'>Copy Flags</span></b> button for both phases.
3109However, if the refinement is attempted it will fail as soon as the second
3110histogram is refined with this error:</p>
3111
3112<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3113
3114<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
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3117  margin-top:-290.55pt;width:424.45pt;height:76.65pt;z-index:251691008;
3118  visibility:visible;mso-wrap-style:square;mso-width-percent:0;
3119  mso-height-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
3120  mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
3121  mso-position-horizontal:absolute;mso-position-horizontal-relative:text;
3122  mso-position-vertical:absolute;mso-position-vertical-relative:text;
3123  mso-width-percent:0;mso-height-percent:0;mso-width-relative:margin;
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3156d25yZXYueG1sUEsFBgAAAAAEAAQA8wAAADYGAAAAAA==
3157" filled="f" strokecolor="#4f81bd">
3158  <v:path arrowok="t"/>
3159  <v:textbox>
3160   <![if !mso]>
3161   <table cellpadding=0 cellspacing=0 width="100%">
3162    <tr>
3163     <td><![endif]>
3164     <div>
3165     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>****
3166     ERROR - variable list for this histogram does not match previous<o:p></o:p></span></p>
3167     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
3168     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>current
3169     histogram PWDR OH_04.fxye Bank 1 has 24 variables<o:p></o:p></span></p>
3170     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
3171     in previous but not in current: ::constr0, <o:p></o:p></span></p>
3172     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'><o:p>&nbsp;</o:p></span></p>
3173     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Previous
3174     refinement has 23 variables<o:p></o:p></span></p>
3175     <p class=MsoNormal><span style='font-size:10.0pt;font-family:Courier'>Variables
3176     in current but not in previous: 1::Scale, 0::Scale, <o:p></o:p></span></p>
3177     <p class=MsoNormal><span style='font-family:"Cambria",serif'><o:p>&nbsp;</o:p></span></p>
3178     </div>
3179     <![if !mso]></td>
3180    </tr>
3181   </table>
3182   <![endif]></v:textbox>
3183  <w:wrap type="topAndBottom"/>
3184 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
3185 <table cellpadding=0 cellspacing=0 align=left>
3186  <tr>
3187   <td width=64 height=0></td>
3188  </tr>
3189  <tr>
3190   <td></td>
3191   <td><img width=572 height=109 src="SequentialTutorial_files/image144.png"
3192   alt="Text Box: **** ERROR - variable list for this histogram does not match previous&#13;&#10;&#13;&#10;current histogram PWDR OH_04.fxye Bank 1 has 24 variables&#13;&#10;Variables in previous but not in current: ::constr0, &#13;&#10;&#13;&#10;Previous refinement has 23 variables&#13;&#10;Variables in current but not in previous: 1::Scale, 0::Scale, &#13;&#10;&#13;&#10;"
3193   v:shapes="Text_x0020_Box_x0020_87"></td>
3194  </tr>
3195 </table>
3196 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
3197style='mso-ignore:vglayout' clear=ALL>
3198</p>
3199
3200<p class=MsoListParagraphCxSpMiddle>One additional step is needed to switch the
3201constraints to work properly. Note that constraint we defined before (on <b
3202style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3203mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>0:0:Scale</span></b>
3204and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3205mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1:0:Scale</span></b>)
3206pertains only to the first histogram. Note that a constraint is ignored if none
3207of the variables in it are included in the refinement, so this constraint only
3208affects the first histogram, giving rise to the error above. We could set up a
3209constraint for each histogram that has been added, but this would be rather
3210tedious to set up. The alternate is to set up a constraint where a wildcard (<span
3211style='font-family:Courier'>*</span>) is used. Wildcards only apply to
3212sequential fits and causes the current histogram number to be inserted for the <span
3213style='font-family:Courier'>*</span> when each histogram is used. </p>
3214
3215<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3216
3217<p class=MsoListParagraphCxSpMiddle>To set up the new constraint, <span
3218style='mso-bidi-font-weight:bold'>click on the </span><b><span
3219style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3220mso-hansi-theme-font:major-latin'>Constraints</span></b><span style='mso-bidi-font-weight:
3221bold'> item</span> in the data tree and the <b><span style='font-family:"Calibri",sans-serif;
3222mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Select
3223tab/Histogram/Phase</span></b><span style='mso-bidi-font-weight:bold'> menu
3224item</span>, and then <span style='mso-bidi-font-weight:bold'>click on the </span><b><span
3225style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3226mso-hansi-theme-font:major-latin'>Edit/Add constraint</span></b> menu item.
3227From the menu, we want one of the two <b><span style='font-family:"Calibri",sans-serif;
3228mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x:*:Scale</span></b><span
3229style='mso-bidi-font-weight:bold'> wild card phase fractions</span>; they are
3230at the bottom of the list </p>
3231
3232<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3233style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3234 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:359.25pt;
3235 height:155.25pt;visibility:visible;mso-wrap-style:square'>
3236 <v:imagedata src="SequentialTutorial_files/image094.png" o:title="" croptop="3844f"
3237  cropbottom="8174f" cropleft="3258f" cropright="2910f"/>
3238</v:shape><![endif]--><![if !vml]><img width=479 height=207
3239src="SequentialTutorial_files/image145.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
3240
3241<p class=MsoListParagraphCxSpMiddle>There will only be one possible matching
3242variable in the next window, so <span style='mso-bidi-font-weight:bold'>select
3243that and press </span><b><span style='font-family:"Calibri",sans-serif;
3244mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.</p>
3245
3246<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3247mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" o:spid="_x0000_i1029"
3248 type="#_x0000_t75" style='width:311.25pt;height:104.25pt;visibility:visible;
3249 mso-wrap-style:square'>
3250 <v:imagedata src="SequentialTutorial_files/image096.png" o:title="" croptop="5557f"
3251  cropbottom="11943f" cropleft="3390f" cropright="3551f"/>
3252</v:shape><![endif]--><![if !vml]><img width=415 height=139
3253src="SequentialTutorial_files/image146.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
3254
3255<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3256
3257<p class=MsoListParagraphCxSpMiddle>The initial and the most recently defined
3258constraints will then be shown. </p>
3259
3260<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3261mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_28" o:spid="_x0000_i1028"
3262 type="#_x0000_t75" style='width:249.75pt;height:83.25pt;visibility:visible;
3263 mso-wrap-style:square'>
3264 <v:imagedata src="SequentialTutorial_files/image098.png" o:title="" croptop="6527f"
3265  cropbottom="13784f" cropleft="4299f" cropright="4371f"/>
3266</v:shape><![endif]--><![if !vml]><img width=333 height=111
3267src="SequentialTutorial_files/image147.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
3268
3269<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3270
3271<p class=MsoListParagraphCxSpMiddle>These two constraints will interfere when
3272refining the with first histogram, so <span style='mso-bidi-font-weight:bold'>press
3273the </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3274major-latin;mso-hansi-theme-font:major-latin'>Delete</span></b><span
3275style='mso-bidi-font-weight:bold'> button for the first</span> one to remove
3276it.</p>
3277
3278<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3279style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3280 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:252.75pt;
3281 height:84pt;visibility:visible;mso-wrap-style:square'>
3282 <v:imagedata src="SequentialTutorial_files/image100.png" o:title="" croptop="7993f"
3283  cropbottom="14017f" cropleft="4425f" cropright="4157f"/>
3284</v:shape><![endif]--><![if !vml]><img width=337 height=112
3285src="SequentialTutorial_files/image148.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
3286
3287<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3288
3289<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3290style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
3291style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Start
3292the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3293mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3294refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item<b>.</b></span>
3295Three new columns appear at the end of the table for <b style='mso-bidi-font-weight:
3296normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3297major-latin;mso-hansi-theme-font:major-latin'>::constr0</span></b> (generated
3298by the constraint) and the initial variables, <b style='mso-bidi-font-weight:
3299normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3300major-latin;mso-hansi-theme-font:major-latin'>0:*:Scale</span></b> and <b
3301style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3302mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1:*:Scale</span></b>.
3303Changes to the R<sub>wp</sub> values are quite small, even though the value for
3304the minor phase changes significantly. This indicates that the refinement is
3305relatively insensitive to these values. </p>
3306
3307<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3308
3309<p class=MsoListParagraphCxSpMiddle>The last thing we will add to the
3310refinement will be atomic parameters. Note that these are handled a bit
3311differently than the previous things we have refined. There is only one set of
3312coordinates for each phase and these will be refined for each histogram, but
3313are not saved individually, except in the summary table.<span
3314style='mso-spacerun:yes'>  </span>If we restart the refinement, the coordinates
3315from the last histogram will be used to fit the first. The Reverse order
3316checkbox on the Controls causes the sequential refinement to start with the
3317last histogram, which would avoid this problem. </p>
3318
3319<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3320
3321<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>Select
3322the </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3323major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span
3324style='mso-bidi-font-weight:bold'> phase</span> to and then the <b
3325style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3326mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Atoms</span></b>
3327tab. <span style='mso-bidi-font-weight:bold'>Double-click on the </span><b><span
3328style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3329mso-hansi-theme-font:major-latin'>refine</span></b><span style='mso-bidi-font-weight:
3330bold'> label</span> at the top of the atoms table, a refinement controls dialog
3331opens, <span style='mso-bidi-font-weight:bold'>select </span><b><span
3332style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3333mso-hansi-theme-font:major-latin'>X</span></b><span style='mso-bidi-font-weight:
3334bold'> to refine coordinates (only O has coordinates not fixed by symmetry) and
3335</span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3336major-latin;mso-hansi-theme-font:major-latin'>U</span></b> to refine the atomic
3337displacement (Uiso) values.<span style='mso-spacerun:yes'>  </span><span
3338style='mso-bidi-font-weight:bold'>Press </span><b><span style='font-family:
3339"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
3340major-latin'>OK</span></b><span style='mso-bidi-font-weight:bold'>.</span> </p>
3341
3342<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3343mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_31" o:spid="_x0000_i1026"
3344 type="#_x0000_t75" style='width:167.25pt;height:156pt;visibility:visible;
3345 mso-wrap-style:square'>
3346 <v:imagedata src="SequentialTutorial_files/image102.png" o:title=""/>
3347</v:shape><![endif]--><![if !vml]><img width=223 height=208
3348src="SequentialTutorial_files/image149.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
3349
3350<p class=MsoListParagraphCxSpMiddle>Note the change in the atom table.</p>
3351
3352<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3353mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32" o:spid="_x0000_i1025"
3354 type="#_x0000_t75" style='width:353.25pt;height:152.25pt;visibility:visible;
3355 mso-wrap-style:square'>
3356 <v:imagedata src="SequentialTutorial_files/image104.png" o:title=""/>
3357</v:shape><![endif]--><![if !vml]><img width=471 height=203
3358src="SequentialTutorial_files/image150.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
3359
3360<p class=MsoListParagraphCxSpMiddle>Note that since these parameters are shared
3361directly in all histograms, no Copy or Copy flags menu item is needed or even
3362available. </p>
3363
3364<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3365
3366<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
3367style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
3368style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Start
3369the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3370mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3371refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
3372fits are significantly improved at higher temperatures, with R<sub>wp</sub>
3373values between 13.8 and 16.4. Be sure to save the project file by <span
3374style='mso-bidi-font-weight:bold'>selecting the </span><b><span
3375style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3376mso-hansi-theme-font:major-latin'>File/Save project</span></b><span
3377style='mso-bidi-font-weight:bold'> menu item</span>, since this will used in a
3378later tutorial.</p>
3379
3380<p>This completes the sequential refinement tutorial, although many more things
3381could be attempted to further improve the refinement quality. In the <b
3382style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3383mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Parametric
3384Fitting and Pseudo Variables for Sequential Fits</span></b> tutorial, functions
3385of fitted parameters are computed and plotted and results are fitted to
3386equations of state.</p>
3387
3388</div>
3389
3390</body>
3391
3392</html>
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