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414  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
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"/>
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778        font-family:"Calibri",sans-serif;
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;
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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"/>
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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 two different ways: </p>
1395<blockquote><DL>
1396  <DT>A: Where the resulting parameters after refinement with a
1397    histogram are used as the starting point for the next histogram.
1398    </DT><DD>When this mode is used, the same parameters must be
1399      varied in each histogram (phase-based parameters, including
1400      those in the phase/data tab are forced to be the same, since
1401      there is only one set of these.) This is commonly used for an
1402      initial refinement.
1403    </DD>
1404    <DT>B: Where parameters are not copied between histograms.
1405    </DT><DD>When this is done, the phase-based parameters from
1406      refinement with each histogram are still used as the
1407      starting point for the next, but histogram parameters may
1408      start all at the same place or may be started at different
1409      values, for example to continue a previous sequential
1410      refinement to convergence or with more parameters. Note that
1411      in this case different sets of parameters may be refined for
1412      each histogram.
1413    </DD>
1414<DL></blockquote>
1415 
1416<p class=MsoNormal>In this example, we will fit a temperature series. Note that
1417it is also possible to fit a temperature series as a combined refinement and,
1418as will be seen, one can still deal with thermal expansion (using the
1419Hydrostatic/Elastic strain terms), but a combined refinement would average the
1420atomic parameters across all temperatures. A sequential refinement allows each
1421histogram to have differing atomic parameters; their variation with temperature
1422might be of interest. Likewise, the parameters on the phase/data tab,
1423  such as size/microstrain coefficients, phase fractions, are also
1424  allowed to be different for each histogram, if varied.</p>
1425
1426<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1427
1428<p class=MsoNormal>This example assumes that one is already familiar with use
1429of GSAS-II for simple refinements and have started GSAS-II without a project.</p>
1430Note that most of the screen images shown in this tutorial
1431  are taken from GSAS-II running on a Mac OS X machine; these
1432  illustrate that the menus are not located on the data tree or data
1433  editing windows. </p> 
1434
1435<blockquote>
1436 If you download this tutorial, data files will be placed on your
1437  computer and the open file dialogs should bring you to that
1438  location. If not, the files can be downloaded
1439  <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/data/">
1440  from here</A>.
1441</blockquote>
1442 
1443<h1>Step 1: Fit a single temperature. </h1>
1444
1445<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1446
1447<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1448style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1449style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shapetype
1450 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1451 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1452 <v:stroke joinstyle="miter"/>
1453 <v:formulas>
1454  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1455  <v:f eqn="sum @0 1 0"/>
1456  <v:f eqn="sum 0 0 @1"/>
1457  <v:f eqn="prod @2 1 2"/>
1458  <v:f eqn="prod @3 21600 pixelWidth"/>
1459  <v:f eqn="prod @3 21600 pixelHeight"/>
1460  <v:f eqn="sum @0 0 1"/>
1461  <v:f eqn="prod @6 1 2"/>
1462  <v:f eqn="prod @7 21600 pixelWidth"/>
1463  <v:f eqn="sum @8 21600 0"/>
1464  <v:f eqn="prod @7 21600 pixelHeight"/>
1465  <v:f eqn="sum @10 21600 0"/>
1466 </v:formulas>
1467 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1468 <o:lock v:ext="edit" aspectratio="t"/>
1469</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_s1046" type="#_x0000_t75"
1470 style='position:absolute;left:0;text-align:left;margin-left:151.8pt;
1471 margin-top:0;width:203pt;height:69.5pt;z-index:251659264;visibility:visible;
1472 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
1473 mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1474 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1475 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1476 mso-position-vertical-relative:margin;mso-width-percent:0;
1477 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1478 <v:imagedata src="SequentialTutorial_files/image001.png" o:title=""/>
1479 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1480</v:shape><![endif]--><![if !vml]><img width=271 height=93
1481src="SequentialTutorial_files/image008.jpg" align=right hspace=12 v:shapes="Picture_x0020_1"><![endif]>Use
1482the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1483mso-hansi-theme-font:major-latin'>Import/Phase/from CIF file menu item</span></b>
1484to read the phase information </p>
1485
1486<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1487
1488<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1489style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1490style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>In
1491the file browser dialog window that is created, <span style='mso-bidi-font-weight:
1492bold'>change the file type from<b> “</b></span><b><span style='font-family:
1493"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1494major-latin'>CIF file</span>” </b><span style='mso-bidi-font-weight:bold'>to<b>
1495“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1496major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>”</b> and <span
1497style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1498style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1499mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1500bold'>file</span> (change the file directory to <b style='mso-bidi-font-weight:
1501normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1502major-latin;mso-hansi-theme-font:major-latin'>SeqRefine/data</span></b>).
1503Another dialog window will be created showing all the files in the zip archive.
1504To simplify the view to only show the phase files, type “<b style='mso-bidi-font-weight:
1505normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1506major-latin;mso-hansi-theme-font:major-latin'>cif</span></b>” (or “<b
1507style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1508mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CIF</span></b>”
1509– case is ignored) into the filter. <span style='mso-bidi-font-weight:bold'>Select
1510the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1511major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4.cif</span> </b><span
1512style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1513style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1514mso-hansi-theme-font:major-latin'>CuO.cif</span> </b><span style='mso-bidi-font-weight:
1515bold'>input files. Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1516mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1517</p>
1518
1519<p class=MsoListParagraphCxSpMiddle>(Note that if files CuCr2O4.cif or the
1520CuO.cif already exist, you will be asked to OK overwriting them.)</p>
1521
1522<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1523
1524<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1525style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1526style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
1527will be asked sequentially for the name for each phase. The defaults (<b
1528style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1529mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>
1530and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1531mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
1532are fine, so <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1533major-latin;mso-hansi-theme-font:major-latin'>OK</span> </b><span
1534style='mso-bidi-font-weight:bold'>can be pressed for each question</span>.<span
1535style='mso-spacerun:yes'>  </span></p>
1536
1537<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1538
1539<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1540style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1541style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1542 id="Picture_x0020_21" o:spid="_x0000_s1045" type="#_x0000_t75" style='position:absolute;
1543 left:0;text-align:left;margin-left:161.8pt;margin-top:0;width:213pt;height:89pt;
1544 z-index:251675648;visibility:visible;mso-wrap-style:square;
1545 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1546 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1547 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1548 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1549 mso-position-vertical-relative:margin;mso-width-percent:0;
1550 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1551 <v:imagedata src="SequentialTutorial_files/image003.png" o:title=""/>
1552 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1553</v:shape><![endif]--><![if !vml]><img width=284 height=119
1554src="SequentialTutorial_files/image032.jpg" align=right hspace=12 v:shapes="Picture_x0020_21"><![endif]><span
1555style='mso-spacerun:yes'> </span>Read in the ~7 K dataset (<b style='mso-bidi-font-weight:
1556normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1557major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>) using <b><span
1558style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1559mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
1560to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
1561“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1562major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>” </b><span
1563style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1564style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1565mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1566bold'>file<b>. </b>Select file<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1567mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>
1568(use of the filter can again be helpful) and <span style='mso-bidi-font-weight:
1569bold'>press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1570mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1571</p>
1572
1573<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
1574  id="Picture_x0020_3" o:spid="_x0000_s1044" type="#_x0000_t75" style='position:absolute;
1575  left:0;text-align:left;margin-left:36pt;margin-top:0;width:161.7pt;height:157.3pt;
1576  z-index:251676672;visibility:visible;mso-wrap-style:square;
1577  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1578  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1579  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
1580  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1581  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
1582  mso-width-relative:page;mso-height-relative:page'>
1583  <v:imagedata src="SequentialTutorial_files/image005.png" o:title=""/>
1584  <w:wrap type="topAndBottom"/>
1585 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
1586 <table cellpadding=0 cellspacing=0>
1587  <tr>
1588   <td width=48 height=0></td>
1589  </tr>
1590  <tr>
1591   <td></td>
1592   <td><img width=216 height=210 src="SequentialTutorial_files/image042.png"
1593   v:shapes="Picture_x0020_3"></td>
1594  </tr>
1595 </table>
1596 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
1597style='mso-ignore:vglayout' clear=ALL>
1598You will be shown the first few lines from the file. Confirm that the selected
1599file is correct by <span style='mso-bidi-font-weight:bold'>pressing<b> </b></span><b><span
1600style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1601mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
1602
1603<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1604mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_1" o:spid="_x0000_i1057"
1605 type="#_x0000_t75" style='width:237.75pt;height:125.25pt;visibility:visible;
1606 mso-wrap-style:square'>
1607 <v:imagedata src="SequentialTutorial_files/image007.png" o:title=""/>
1608</v:shape><![endif]--><![if !vml]><img width=317 height=167
1609src="SequentialTutorial_files/image051.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
1610
1611<p class=MsoListParagraphCxSpMiddle>Note that the instrument parameter file
1612with the matching name (<b style='mso-bidi-font-weight:normal'><span
1613style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1614mso-hansi-theme-font:major-latin'>OH_00.prm</span></b>) is read automatically. </p>
1615
1616<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1617
1618<a name="step1-5"></a>
1619<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1620style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1621style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Map
1622the phases to the data: After reading in the dataset, a window used to select
1623phases is shown. <span style='mso-bidi-font-weight:bold'>Select both phases and
1624press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1625mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span>.</b><span
1626style='mso-spacerun:yes'>  </span></p>
1627
1628<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1629mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2" o:spid="_x0000_i1056"
1630 type="#_x0000_t75" style='width:176.25pt;height:146.25pt;visibility:visible;
1631 mso-wrap-style:square'>
1632 <v:imagedata src="SequentialTutorial_files/image009.png" o:title=""/>
1633</v:shape><![endif]--><![if !vml]><img width=235 height=195
1634src="SequentialTutorial_files/image055.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1635
1636<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1637
1638<a name="constraint"></a>
1639<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1640style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
1641style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1642 id="Picture_x0020_4" o:spid="_x0000_s1043" type="#_x0000_t75" style='position:absolute;
1643 left:0;text-align:left;margin-left:199.05pt;margin-top:0;width:250.25pt;
1644 height:127.15pt;z-index:251677696;visibility:visible;mso-wrap-style:square;
1645 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1646 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1647 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1648 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1649 mso-position-vertical-relative:margin;mso-width-percent:0;
1650 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1651 <v:imagedata src="SequentialTutorial_files/image011.png" o:title=""/>
1652 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1653</v:shape><![endif]--><![if !vml]><img width=334 height=170
1654src="SequentialTutorial_files/image057.png" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>We
1655want to fit the lattice parameters, background, and a phase fraction
1656initially.<span style='mso-spacerun:yes'>  </span>To illustrate how constraints
1657are used, we will refine both phase fractions, but constrain their sum to be
1658one. (A simpler alternate approach would be to refine only a single
1659phase fraction.)
1660To set up the constraint, <span style='mso-bidi-font-weight:bold'>click on
1661the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1662major-latin;mso-hansi-theme-font:major-latin'>Constraints</span> </b><span
1663style='mso-bidi-font-weight:bold'>item</span> in the data tree. Then
1664click on the <b>Histogram/Phase</b> tab in the data editing
1665window. Then in the <b><span
1666style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1667mso-hansi-theme-font:major-latin'>Edit Constr.</span> </b><span
1668style='mso-bidi-font-weight:bold'>menu<span style='mso-spacerun:yes'> 
1669<span style='mso-bidi-font-weight:bold'>click on
1670the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1671major-latin;mso-hansi-theme-font:major-latin'>Edit Constr/Add
1672constraint equation</span></b><span style='mso-bidi-font-weight:
1673bold'> menu item<b>.</b></span></p>
1674
1675<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1676mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" o:spid="_x0000_i1055"
1677 type="#_x0000_t75" style='width:78pt;height:54pt;visibility:visible;
1678 mso-wrap-style:square'>
1679 <v:imagedata src="SequentialTutorial_files/image013.png" o:title=""/>
1680</v:shape><![endif]--><![if !vml]><img width=104 height=72
1681src="SequentialTutorial_files/image099.jpg" v:shapes="Picture_x0020_5"><![endif]></span><span
1682style='mso-spacerun:yes'> </span></p>
1683
1684<p class=MsoListParagraphCxSpMiddle>In the next window use a <b
1685style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1686mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Filter</span></b>
1687of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1688mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>scale</span></b>
1689to make the list shorter and then <span style='mso-bidi-font-weight:bold'>select
1690the phase fraction for the first phase<b> </b></span><b><span style='font-family:
1691"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1692major-latin'>0:0:Scale</span></b> (the second one, <b style='mso-bidi-font-weight:
1693normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1694major-latin;mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><span
1695style='font-family:Courier'>,</span> would work too) </p>
1696
1697<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1698mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8" o:spid="_x0000_i1054"
1699 type="#_x0000_t75" style='width:327.75pt;height:129pt;visibility:visible;
1700 mso-wrap-style:square'>
1701 <v:imagedata src="SequentialTutorial_files/image015.png" o:title=""/>
1702</v:shape><![endif]--><![if !vml]><img width=437 height=172
1703src="SequentialTutorial_files/image101.png" v:shapes="Picture_x0020_8"><![endif]></span><span
1704style='mso-spacerun:yes'> </span></p>
1705
1706<p class=MsoListParagraphCxSpMiddle>In the next window, either <span
1707style='mso-bidi-font-weight:bold'>select the other phase fraction<b> (</b></span><b><span
1708style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1709mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><b><span
1710style='font-family:Courier'>)</span></b><span style='font-family:"Cambria",serif;
1711mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> or select
1712all phases (</span><b style='mso-bidi-font-weight:normal'><span
1713style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1714mso-hansi-theme-font:major-latin'>all:0:Scale</span></b><span style='font-family:
1715"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>)<o:p></o:p></span></p>
1716
1717<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1718mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1053"
1719 type="#_x0000_t75" style='width:338.25pt;height:129.75pt;visibility:visible;
1720 mso-wrap-style:square'>
1721 <v:imagedata src="SequentialTutorial_files/image017.png" o:title=""/>
1722</v:shape><![endif]--><![if !vml]><img width=451 height=173
1723src="SequentialTutorial_files/image106.png" v:shapes="Picture_x0020_10"><![endif]></span><span
1724style='font-family:"Cambria",serif'><o:p></o:p></span></p>
1725
1726<p class=MsoListParagraphCxSpMiddle>This creates the desired constraint, which
1727forces the sum to be 1. (If the desired sum was different or different
1728multipliers were desired, press the <b style='mso-bidi-font-weight:normal'><span
1729style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1730mso-hansi-theme-font:major-latin'>Edit</span></b> button for the constraint.) </p>
1731
1732<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1733mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11" o:spid="_x0000_i1052"
1734 type="#_x0000_t75" style='width:254.25pt;height:129pt;visibility:visible;
1735 mso-wrap-style:square'>
1736 <v:imagedata src="SequentialTutorial_files/image019.png" o:title=""/>
1737</v:shape><![endif]--><![if !vml]><img width=339 height=172
1738src="SequentialTutorial_files/image107.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
1739
1740<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1741
1742<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1743style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
1744style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
1745we select the variables to refine. </p>
1746
1747<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1748
1749<p class=MsoListParagraphCxSpFirst><span style='mso-bidi-font-weight:bold'>Select
1750the first phase</span> (<b style='mso-bidi-font-weight:normal'><span
1751style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1752mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) <span style='mso-bidi-font-weight:
1753bold'>, which should open the General Tab. Click on the </span><b><span style='font-family:"Calibri",sans-serif;
1754mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
1755cell</span></b><span style='mso-bidi-font-weight:bold'> option</span>
1756(If the phases are not shown, click on the triangle to the left of
1757the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1758mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase</span></b>
1759entry to “open” the tree item). We also want to refine the phase fraction for
1760this phase, so <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1761style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1762mso-hansi-theme-font:major-latin'>Data</span> </b><span style='mso-bidi-font-weight:
1763bold'>tab and click
1764on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1765mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase
1766fraction</span> </b><span style='mso-bidi-font-weight:bold'>box</span> to cause
1767that to be refined.<span style='mso-spacerun:yes'>  </span></p>
1768
1769<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1770mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" o:spid="_x0000_i1051"
1771 type="#_x0000_t75" style='width:260.25pt;height:120pt;visibility:visible;
1772 mso-wrap-style:square'>
1773 <v:imagedata src="SequentialTutorial_files/image021.png" o:title=""/>
1774</v:shape><![endif]--><![if !vml]><img width=347
1775src="SequentialTutorial_files/image108.jpg" v:shapes="Picture_x0020_7"><![endif]></span></p>
1776
1777<p class=MsoListParagraphCxSpMiddle>Repeat this with the second phase (<b
1778style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1779mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>),
1780by <span style='mso-bidi-font-weight:bold'>selecting it</span> in the data
1781tree. Then <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1782style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1783mso-hansi-theme-font:major-latin'>General</span> </b><span style='mso-bidi-font-weight:
1784bold'>tab</span> and on <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1785style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1786mso-hansi-theme-font:major-latin'>Refine unit cell</span></b> option. We also
1787want to refine the phase fraction for this phase, so <span style='mso-bidi-font-weight:
1788bold'>select the </span><b><span style='font-family:"Calibri",sans-serif;
1789mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
1790style='mso-bidi-font-weight:bold'>tab and click on the<b> </b></span><b><span
1791style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1792mso-hansi-theme-font:major-latin'>Phase fraction</span> </b><span
1793style='mso-bidi-font-weight:bold'>box</span> to cause that to be refined.
1794
1795<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1796
1797<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_14"
1798 o:spid="_x0000_s1042" type="#_x0000_t75" style='position:absolute;left:0;
1799 text-align:left;margin-left:208.5pt;margin-top:891.2pt;width:259.7pt;height:92.55pt;
1800 z-index:251678720;visibility:visible;mso-wrap-style:square;
1801 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1802 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1803 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1804 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
1805 mso-position-vertical-relative:margin;mso-width-percent:0;
1806 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1807 <v:imagedata src="SequentialTutorial_files/image023.png" o:title=""/>
1808 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1809</v:shape><![endif]--><![if !vml]><img width=346 height=123
1810src="SequentialTutorial_files/image109.png" align=right hspace=12 v:shapes="Picture_x0020_14"><![endif]>Also
1811<span style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1812style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1813mso-hansi-theme-font:major-latin'>Background</span> </b><span style='mso-bidi-font-weight:
1814bold'>entry</span> under <b style='mso-bidi-font-weight:normal'><span
1815style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1816mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> in the
1817GSAS-II data tree (again if this is not shown, click on the triangle to
1818the left of the histogram entry to “open” the tree item.) Confirm that <b
1819style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1820mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background
1821function</span></b> should already be set as <b style='mso-bidi-font-weight:
1822normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1823major-latin;mso-hansi-theme-font:major-latin'>chebyshev</span></b> and the <b
1824style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1825mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine</span></b>
1826flag should be checked. <span style='mso-bidi-font-weight:bold'>Change the<b> </b></span><b><span
1827style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1828mso-hansi-theme-font:major-latin'>No. coeff</span>. </b><span style='mso-bidi-font-weight:
1829bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1830mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>6</span></b>
1831to introduce more background terms. </p>
1832
1833<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1834
1835<p class=MsoListParagraphCxSpMiddle>The histogram scale factor, on the <b
1836style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1837mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
1838Parameters</span></b> entry should already be set as refined by default, but
1839you may want to confirm this.</p>
1840
1841<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1842
1843<p class=MsoListParagraphCxSpMiddle>Finally, note that the first broad peak in
1844these data is spurious. It is known to arise from the kapton window in the
1845cryostat used for sample cooling; this was confirmed by collecting data without
1846a sample. We could model this peak, but it is easier to simply drop the data
1847below the first peak at ~5 degrees. To do this<b style='mso-bidi-font-weight:
1848normal'>, </b><span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1849style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1850mso-hansi-theme-font:major-latin'>Limits</span> </b><span style='mso-bidi-font-weight:
1851bold'>entry</span> for histogram <b style='mso-bidi-font-weight:normal'><span
1852style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1853mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and in the <b
1854style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1855mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>New
1856Tmin</span></b>
1857box (to lower left) <span style='mso-bidi-font-weight:bold'>change it to </span><b><span
1858style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1859mso-hansi-theme-font:major-latin'>4.5</span>.</b>
1860
1861<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1862
1863<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'>
18648. Optional:
1865confirm that the initial parameters have been selected correctly for refinement
1866using <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1867style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1868mso-hansi-theme-font:major-latin'>Calculate/View LS parms</span> </b><span
1869style='mso-bidi-font-weight:bold'>menu item</span> for the main GSAS-II data
1870ttree window. There will be 15 refined parameters: <span style='font-family:
1871Courier'>0::A</span>x (x=0,1,2) and <span style='font-family:Courier'>1::A</span>x
1872(x=0,1,2,4), the reciprocal lattice metric terms for each phase; <span
1873style='font-family:Courier'>:0:Scale</span>, the histogram scale factor, <span
1874style='font-family:Courier'>:0:Back:</span>x (x=0-5), the six background
1875coefficients and <span style='font-family:Courier'>::constr0</span> which is
1876generated from the constraints. The phase factors, x<span style='font-family:
1877Courier'>:0:Scale</span> (x=1,2) are shown as constrained. </p>
1878
1879<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1880
1881<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1882style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
1883style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1884style='mso-bidi-font-weight:bold'>Use the </span><b><span style='font-family:
1885"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1886major-latin'>Calculate/Refine</span></b><span style='mso-bidi-font-weight:bold'>
1887main GSAS-II menu item</span> to initiate the refinement. Since the project has
1888not been saved, you will be asked to select a name (and optionally a directory)
1889for the GSAS-II project (.gpx) file.<span style='mso-spacerun:yes'>  </span>The
1890file name <span style='font-family:Courier'>SeqTut.gpx</span> is assumed here.
1891The refinement progresses quickly to a wR of ~17%. </p>
1892
1893<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1894
1895<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1896style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
1897style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>There
1898are several additional variables that should now be added. One should always
1899refine a sample displacement parameter or a zero correction. In
1900most cases with Debye-Scherrer geometry, the best choice is to <span style='mso-bidi-font-weight:bold'>add
1901the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1902major-latin;mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
1903style='mso-bidi-font-weight:bold'>parameter</span> on the <b style='mso-bidi-font-weight:
1904normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1905major-latin;mso-hansi-theme-font:major-latin'>Sample Parameters</span></b>
1906section of histogram <b style='mso-bidi-font-weight:normal'><span
1907style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1908mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b>. (NB: a
1909data range &gt;&gt;90 degrees is needed before the Sample Y displ. term can be
1910included). Note that since this instrument is very well characterized, there is
1911no need to refine any of the instrumental terms. </p>
1912
1913<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1914
1915<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_13"
1916 o:spid="_x0000_s1040" type="#_x0000_t75" style='position:absolute;left:0;
1917 text-align:left;margin-left:230.4pt;margin-top:0;width:281.6pt;height:130.65pt;
1918 z-index:251666432;visibility:visible;mso-wrap-style:square;
1919 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1920 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1921 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1922 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1923 mso-position-vertical-relative:margin;mso-width-percent:0;
1924 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1925 <v:imagedata src="SequentialTutorial_files/image027.png" o:title=""/>
1926 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1927</v:shape><![endif]--><![if !vml]><img width=375 height=174
1928src="SequentialTutorial_files/image111.png" align=right hspace=12 v:shapes="Picture_x0020_13"><![endif]><span
1929style='mso-fareast-language:EN-US;mso-no-proof:yes'>Selecting</span><b> </b><span
1930style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span style='font-family:
1931"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1932major-latin'>PWDR OH_00.fxye Bank 1</span> </b><span style='mso-bidi-font-weight:
1933bold'>entry</span> shows the “Rietveld plot” and zooming in on different
1934regions of the pattern provides insight on how the fit could be improved. You can
1935alter the view to show the square root of the intensity (use the ‘<b
1936style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1937mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>S</span></b>’
1938key to toggle this). The background is not well fit in the low angle range and
1939examination shows a “hump” of low-angle scattering from ~4.5 to 6 degrees. This
1940is more easily fit by adding a background peak than extra terms to the
1941background function. <span style='mso-bidi-font-weight:bold'>Select the<b> </b></span><b><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1943mso-hansi-theme-font:major-latin'>Background </span></b><span style='mso-bidi-font-weight:
1944bold'>item</span> in histogram <b style='mso-bidi-font-weight:normal'><span
1945style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1946mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and <span
1947style='mso-bidi-font-weight:bold'>change </span><b><span style='font-family:
1948"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1949major-latin'>Peaks in Background</span> </b><span style='mso-bidi-font-weight:
1950bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1951mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1</span>.</b><span
1952style='mso-spacerun:yes'>  </span><span style='mso-bidi-font-weight:bold'>Change
1953the<b> </b>peak position</span> (<b style='mso-bidi-font-weight:normal'><span
1954style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1955mso-hansi-theme-font:major-latin'>pos</span></b>) to the approximate peak
1956center (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1957mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>5.25</span></b>
1958degrees) and <span style='mso-bidi-font-weight:bold'>set the intensity (</span><b><span
1959style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1960mso-hansi-theme-font:major-latin'>int</span></b><span style='mso-bidi-font-weight:
1961bold'>) and Gaussian width<b> </b>(</span><b><span style='font-family:"Calibri",sans-serif;
1962mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>sig</span></b><span
1963style='mso-bidi-font-weight:bold'>) to be refined</span>.
1964
1965<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1966
1967<p class=MsoListParagraphCxSpMiddle>Once the fit has been improved we can then
1968add the position of this peak to the fit. </p>
1969
1970<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1971
1972<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_16"
1973 o:spid="_x0000_s1039" type="#_x0000_t75" style='position:absolute;left:0;
1974 text-align:left;margin-left:211.1pt;margin-top:0;width:262.3pt;height:253.7pt;
1975 z-index:251680768;visibility:visible;mso-wrap-style:square;
1976 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1977 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1978 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1979 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1980 mso-position-vertical-relative:margin;mso-width-percent:0;
1981 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1982 <v:imagedata src="SequentialTutorial_files/image029.png" o:title=""/>
1983 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1984</v:shape><![endif]--><![if !vml]><img width=350 height=338
1985src="SequentialTutorial_files/image112.png" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>While
1986in other projects I might postpone this until later, we can also start on
1987improving the peak fit. We will do this by varying the sample broadening for
1988the major phase (since the instrumental terms are very good.) <span
1989style='mso-bidi-font-weight:bold'>Select the first phase (</span><b><span
1990style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1991mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span style='mso-bidi-font-weight:
1992bold'>)</span> and its <b><span style='font-family:"Calibri",sans-serif;
1993mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
1994style='mso-bidi-font-weight:bold'>tab</span>, <span style='mso-bidi-font-weight:
1995bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
1996mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>size</span></b><span
1997style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
1998mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b><span
1999style='mso-bidi-font-weight:bold'> parameters</span> to add them to the
2000fit.<span style='mso-spacerun:yes'>  </span></p>
2001
2002<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2003
2004<p class=MsoListParagraphCxSpMiddle>There are now 20 refined parameters and a
2005repeat of the fitting (Use the Calculate/Refine menu item) causes the fit to
2006improve to a wR of &lt;16%.</p>
2007
2008<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2009
2010<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
2011style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
2012style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>We
2013can now <span style='mso-bidi-font-weight:bold'>include the position flag (</span><b><span
2014style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2015mso-hansi-theme-font:major-latin'>pos/refine</span></b><span style='mso-bidi-font-weight:
2016bold'>) for the background peak</span> in the refinement. Do this at the <b
2017style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2018mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background</span></b>
2019item, as before.</p>
2020
2021<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2022
2023<p class=MsoListParagraphCxSpMiddle>Close examination of the pattern shows that
2024the peak widths are still not as well fit as desired. Since strain broadening
2025seems more significant that sample broadening, we could use an anisotropic
2026strain model. Rather than choosing the relatively complex generalized model, we
2027can introduce only two terms with the uniaxial model.<span
2028style='mso-spacerun:yes'>  </span>Trial and error will show that the 010
2029direction works best. Click on the first phase (<b style='mso-bidi-font-weight:
2030normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2031major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) and <b
2032style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2033mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2034tab and <span style='mso-bidi-font-weight:bold'>select<b> </b></span><b><span
2035style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2036mso-hansi-theme-font:major-latin'>uniaxial</span></b> for the <b
2037style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2038mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Mustrain
2039model</span></b> and <span style='mso-bidi-font-weight:bold'>use<b> </b></span><b><span
2040style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2041mso-hansi-theme-font:major-latin'>0 1 0</span> </b><span style='mso-bidi-font-weight:
2042bold'>for the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2043mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Unique axis</span></b><b
2044style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2045mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>, HKL</span></b>
2046. <span style='mso-bidi-font-weight:bold'>Select refinement for both </span><b><span
2047style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2048mso-hansi-theme-font:major-latin'>Equatorial</span></b><span style='mso-bidi-font-weight:
2049bold'> and </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2050major-latin;mso-hansi-theme-font:major-latin'>Axial mustrain</span>.</b> </p>
2051
2052<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2053
2054<p class=MsoListParagraphCxSpMiddle>
2055Likewise, introduce a peak broadening parameter for the second phase
2056by clicking on <B>CuO</B> in the data tree and
2057<span style='mso-bidi-font-weight:bold'>click
2058on the single<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2059mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b>
2060(isotropic) term for this second phase.</p>
2061
2062<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2063
2064<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'>
206512. Repeating the refinement causes the wR to
2066drop to ~14%. Clicking on the <b style='mso-bidi-font-weight:normal'><span
2067style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2068mso-hansi-theme-font:major-latin'>Covariance</span></b> data tree item shows
2069that the goodness of fit (GOF) is around 1.1 (corresponding to a reduced <b
2070style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande";
2071color:black'>&#967;</span></b><sup>2</sup> <1.2) with 23 refined parameters.
2072While atomic parameters could now be refined, we are already have a good
2073enough fit to start a refinement with all the datasets,
2074as the plot clearly shows. </p>
2075
2076<p class=MsoListParagraphCxSpLast><span style='mso-fareast-language:EN-US;
2077mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15" o:spid="_x0000_i1050"
2078 type="#_x0000_t75" style='width:339.75pt;height:255pt;visibility:visible;
2079 mso-wrap-style:square'>
2080 <v:imagedata src="SequentialTutorial_files/image031.png" o:title=""/>
2081</v:shape><![endif]--><![if !vml]><img width=453 height=340
2082src="SequentialTutorial_files/image113.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
2083
2084<h1>Step 2: Prepare for sequential fit. </h1>
2085
2086<p class=MsoListParagraph><o:p>&nbsp;</o:p></p>
2087
2088<p class=MsoNormal>There is one significant difference between fitting a
2089sequence of datasets versus fitting a single data set. This is in the
2090way that lattice constants are fit.
2091In GSAS-II the lattice constants for each phase are determined from
2092reciprocal metric tensor terms,
2093(which are labeled <tt>&lt;p&gt;::Axx</tt> where
2094<tt>&lt;p&gt;</tt> is phase number
2095and the <tt>xx</tt> value(s)
2096depend on the unit cell symmetry) which are added to Hydrostatic/Elastic strain terms
2097(labeled <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt>, as above but
2098<tt>&lt;h&gt;</tt> is the histogram number). Note that there is only
2099one set of <tt>&lt;p&gt;::Axx</tt> terms for each phase, but there is
2100a set of <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> for each phase <I>and
2101histogram</I>. Since in most cases in a sequential refinement, one
2102wants to have differing lattice constants for each histogram,
2103refinement of the <tt>&lt;p&gt;::Axx</tt> terms  in a sequential
2104refinement is reported as an error. </p>
2105<p class=MsoListParagraph><o:p>&nbsp;</o:p></p>
2106
2107<p class=MsoNormal>
2108Note that the <tt>&lt;p&gt;::Axx</tt> are controlled by the "Refine
2109unit cell" option on the Phase/General tab, while the
2110<tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> are listed on the Phase/Data tab,
2111along with all the other parameters where there are values for each
2112histogram and phase.
2113
2114Note that in a sequential fit, there is only one set of l
2115(for which there will be only one set for each phase in the
2116entire refinement), we will use the Hydrostatic/Elastic strain terms
2117(parameters labeled <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> where
2118<tt>&lt;p&gt;</tt> is phase number and
2119<tt>&lt;h&gt;</tt> is histogram number and the <tt>xx</tt>value(s)
2120depend on the unit cell symmetry) to treat the change in lattice parameters.
2121These items describe the change in lattice parameters and appear in the Phase
2122Data tab, where there is a set for each histogram assigned to the
2123phase.</p>
2124
2125<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2126
2127<p class=MsoNormal>We
2128will make a switch from refining <tt>&lt;p&gt;::Axx</tt> terms to
2129<tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> terms for the current dataset,
2130in preparation for the sequential refinement with all datasets.
2131Also at this point we will temporarily remove variables that
2132could make the fit diverge as the lattice constants shift. As an example, when
2133initially fitting a model with peaks that overlap with the observed peaks, but
2134not very well, the fit might be improved by a change in the phase fractions
2135(which might eliminate our impurity CuO phase) or make peaks quite a bit broader
2136than appropriate, these changes could result in a model that
2137is less correct than the starting point but still be a local LS
2138minimum. After such a change the best-fitting model may never be
2139found. Accordingly, we will turn off
2140refinement of all parameters except those that determine peak positions (the
2141Dxx terms) and the overall scale factor. We will also include
2142refinement of the background terms
2143since they are unlikely to affect convergence. </p>
2144
2145<p class=MsoNormal><span style='mso-spacerun:yes'> </span></p>
2146
2147<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2148style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2149style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2150style='mso-bidi-font-weight:bold'>Select the first phase<b> (</b></span><b><span
2151style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2152mso-hansi-theme-font:major-latin'>CuCr2O4</span>) </b><span style='mso-bidi-font-weight:
2153bold'>and on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2154mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>General</span>
2155</b><span style='mso-bidi-font-weight:bold'>tab</span>, click on the <b
2156style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2157mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
2158cell</span></b> option to <span style='mso-bidi-font-weight:bold'>turn off
2159refinement</span>. </p>
2160
2161<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
2162style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2163 id="Picture_x0020_9" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:404.25pt;
2164 height:86.25pt;visibility:visible;mso-wrap-style:square'>
2165 <v:imagedata src="SequentialTutorial_files/image033.png" o:title=""/>
2166</v:shape><![endif]--><![if !vml]><img width=539 height=115
2167src="SequentialTutorial_files/image114.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
2168
2169<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2170
2171<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2172style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2173style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
2174the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2175mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data
2176tab</span></b>, click on the <b><span
2177style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2178mso-hansi-theme-font:major-latin'>D11, D22</span></b><span
2179style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
2180mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D33</span></b><span
2181style='mso-bidi-font-weight:bold'> terms</span> to refine the lattice strain
2182terms. While here, to simplify convergence for the sequential refinement, where
2183lattice constants change significantly, <span style='mso-bidi-font-weight:bold'>turn
2184off the refinement of the three peak width terms and the phase fraction</span>.
2185The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2186mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2187window will appear similar to what is below:</p>
2188
2189<p class=MsoListParagraphCxSpMiddle>
2190<img width=353
2191src="SequentialTutorial_files/image115.png" v:shapes="Picture_x0020_72"></p>
2192
2193<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2194
2195<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2196style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2197style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2198style='mso-bidi-font-weight:bold'>Click on the second phase</span> (<b
2199style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2200mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
2201and on the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2202major-latin;mso-hansi-theme-font:major-latin'>General</span></b><span
2203style='mso-bidi-font-weight:bold'> tab</span>, click on the <b><span
2204style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2205mso-hansi-theme-font:major-latin'>Refine unit cell</span></b><span
2206style='mso-bidi-font-weight:bold'> option</span> to turn off refinement. </p>
2207
2208<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2209
2210<p class=MsoListParagraphCxSpMiddle>On the <b><span style='font-family:"Calibri",sans-serif;
2211mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2212style='mso-bidi-font-weight:bold'> tab</span> for CuO, <span style='mso-bidi-font-weight:
2213bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
2214mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D11</span></b><span
2215style='mso-bidi-font-weight:bold'>, </span><b><span style='font-family:"Calibri",sans-serif;
2216mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D22</span></b><span
2217style='mso-bidi-font-weight:bold'>, and </span><b><span style='font-family:
2218"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2219major-latin'>D33</span></b><span style='mso-bidi-font-weight:bold'> terms</span>
2220to refine the lattice strain terms and <span style='mso-bidi-font-weight:bold'>turn
2221off refinement of the phase fraction</span>.<span style='mso-spacerun:yes'> 
2222</span>We could refine the <b style='mso-bidi-font-weight:normal'><span
2223style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2224mso-hansi-theme-font:major-latin'>D13</span></b> term (which corresponds to the
2225CuO &#946;* angle). However, due to the small number of the small number of CuO
2226peaks that are in the pattern, the refinement to be relatively
2227insensitive to this parameter and convergence will be more rapid if
2228this is added to the refinement later.</p>
2229
2230<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2231
2232<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2233style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2234style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2235</span></span></span><![endif]>To also simplify the refinement
2236at this stage, <span style='mso-bidi-font-weight:bold'>turn off the all the
2237background refinement terms</span> by clicking on <b style='mso-bidi-font-weight:
2238normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2239major-latin;mso-hansi-theme-font:major-latin'>Background</span></b> on the
2240histogram tree item and removing checks the four items that are
2241refined (overall terms and peak intensity, position and sig.)</p>
2242
2243<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2244
2245<p class=MsoListParagraphCxSpMiddle>Likewise, for the histogram Sample
2246Parameters, <span style='mso-bidi-font-weight:bold'>turn off the<b> </b></span><b><span
2247style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2248mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
2249style='mso-bidi-font-weight:bold'>parameter</span> by clicking on the <b
2250style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2251mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2252Parameters</span></b> item in the histogram entries.</p>
2253
2254<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2255
2256<p class=MsoListParagraphCxSpLast
2257style='text-indent:-.25in;mso-list:l7 level1 lfo6'>
2258Optional: One
2259can confirm that the number of parameters is now 7 (3 Dxx terms for phase 1, 3
2260Dxx terms for phase 2 and a scale factor.)
2261Also, while it is not necessary, as a test it is possible to repeat
2262the refinement. If this is done, the Dxx values will refine to values
2263very close to zero (within the refinement uncertainties) indicating that the lattice parameters were
2264already optimal and the quality of the fit (noted by wR or GOF) will
2265be largely unchanged.
2266</p>
2267
2268<h1>Step 3: Import the remaining datasets
2269histograms.</h1>
2270
2271<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2272
2273<p class=MsoNormal>In this step we bring in the remaining data and
2274ensure that the two phases are linked to each new histogram.
2275</p>
2276
2277<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2278
2279<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2280style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2281style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2282 id="Picture_x0020_17" o:spid="_x0000_s1037" type="#_x0000_t75" style='position:absolute;
2283 left:0;text-align:left;margin-left:109.05pt;margin-top:576.2pt;width:160.25pt;
2284 height:156.85pt;z-index:251681792;visibility:visible;mso-wrap-style:square;
2285 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2286 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2287 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2288 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2289 mso-position-vertical-relative:margin;mso-width-percent:0;
2290 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2291 <v:imagedata src="SequentialTutorial_files/image043.png" o:title="" croptop="3745f"
2292  cropbottom="9062f" cropleft="6179f" cropright="6822f"/>
2293 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2294</v:shape><![endif]--><![if !vml]><img width=214 height=209
2295src="SequentialTutorial_files/image119.png" align=right hspace=12 v:shapes="Picture_x0020_17"><![endif]>The
2296remaining datasets are read <span style='mso-bidi-font-weight:bold'>using<b> </b></span><b><span
2297style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2298mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
2299to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
2300</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2301major-latin;mso-hansi-theme-font:major-latin'>zip archive</span> </b><span
2302style='mso-bidi-font-weight:bold'>and the downloaded<b> </b></span><b><span
2303style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2304mso-hansi-theme-font:major-latin'>SeqTut.zip</span></b> file. <span
2305style='mso-bidi-font-weight:bold'>Select all the .</span><b><span
2306style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2307mso-hansi-theme-font:major-latin'>fxye</span></b><span style='mso-bidi-font-weight:
2308bold'> files</span> except <b style='mso-bidi-font-weight:normal'><span
2309style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2310mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b> (use of the filter can
2311again be helpful to show just the data file; press <b style='mso-bidi-font-weight:
2312normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2313major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b> and then
2314unselect the one unneeded file). </p>
2315
2316<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2317
2318<p class=MsoListParagraphCxSpMiddle>This time one must <span style='mso-bidi-font-weight:
2319bold'>select the instrument parameter file</span>. </p>
2320
2321<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2322mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_i1045"
2323 type="#_x0000_t75" style='width:298.5pt;height:203.25pt;visibility:visible;
2324 mso-wrap-style:square'>
2325 <v:imagedata src="SequentialTutorial_files/image045.png" o:title="" croptop="3160f"
2326  cropbottom="7136f" cropleft="3738f" cropright="3737f"/>
2327</v:shape><![endif]--><![if !vml]><img width=398 height=271
2328src="SequentialTutorial_files/image120.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
2329
2330<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2331
2332<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>Set
2333all data sets to use the two phases</span>, as before in <a href="#step1-5">step 1 #5. </a></p>
2334
2335<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2336
2337<p class=MsoListParagraphCxSpMiddle>Note that the files must be read in in the
2338sequence they will be processed. This is not an issue here, but for some
2339sequential refinements, one may need to use multiple Import operations to read
2340the files in the desired order or rename files so they are listed in the
2341correct order in the file browser. </p>
2342
2343<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2344
2345<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_18"
2346 o:spid="_x0000_s1036" type="#_x0000_t75" style='position:absolute;left:0;
2347 text-align:left;margin-left:105.35pt;margin-top:0;width:156.55pt;height:84.25pt;
2348 z-index:251667456;visibility:visible;mso-wrap-style:square;
2349 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2350 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2351 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2352 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
2353 mso-position-vertical-relative:margin;mso-width-percent:0;
2354 mso-height-percent:0;mso-width-relative:margin;mso-height-relative:page'>
2355 <v:imagedata src="SequentialTutorial_files/image047.png" o:title=""/>
2356 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2357</v:shape><![endif]--><![if !vml]><img width=209 height=112
2358src="SequentialTutorial_files/image121.png" align=right hspace=12
2359 v:shapes="Picture_x0020_18"><![endif]>
2360<p class=MsoListParagraphCxSpMiddle
2361style='text-indent:-.25in;mso-list:l5 level1 lfo10'>
2362Optional:
2363Note that the default graphics mode is to display the last dataset read
2364in.<span style='mso-spacerun:yes'>  </span>If you want to see the entire
2365ensemble of data sets, click on the main entry for any of the datasets (for example
2366<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2367mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>PWDR
2368OH_00.fxye Bank 1</span></b>), click on the frame of the plot window and press
2369the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2370mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>”
2371key.<span style='mso-spacerun:yes'>  </span>(Alternately, press the “<b
2372style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2373mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2374icon from the list at the bottom of plot, between the “floppy disk” and
2375“question mark” icons and then select “<b style='mso-bidi-font-weight:normal'><span
2376style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2377mso-hansi-theme-font:major-latin'>m: toggle multidata plot</span></b>” from the
2378pop-up window). The ‘<b>u</b>’, ‘<b>d</b>’, ‘<b>r</b>’ and ‘<b>l</b>’
2379keys control the appearance of a ‘‘waterfall plot’’. You can also use
2380 the ‘<b>c</b>’ key to obtain a contour plot of all the data, as below; in this mode
2381 the ‘<b>u</b>’ and ‘<b>d</b>’ keys change the upper level on the
2382 color scale, changing the contrast of the plot.</p>
2383
2384<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2385mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_14" o:spid="_x0000_i1044"
2386 type="#_x0000_t75" style='width:525pt;height:450pt;visibility:visible;
2387 mso-wrap-style:square'>
2388 <v:imagedata src="SequentialTutorial_files/image049.png" o:title=""/>
2389</v:shape><![endif]--><![if !vml]><img width=700 height=600
2390src="SequentialTutorial_files/image049.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
2391
2392<p class=MsoListParagraphCxSpLast>Above, I have used the ‘<b style='mso-bidi-font-weight:
2393normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2394major-latin;mso-hansi-theme-font:major-latin'>d</span></b>’ key to increase the
2395contrast &amp; zoomed in to a an angular location that shows the effect of temperature on
2396the peak positions.</p>
2397
2398<h1>Step 4: Duplicate parameters across histograms and phase/histogram entries.</h1>
2399
2400<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2401
2402<p class=MsoNormal>In this step we make sure that the starting parameters are
2403the same for all histogram as well as the phase/histogram parameters
2404(in the Phase/Data tab).</p>
2405
2406<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2407
2408<p class=MsoListParagraphCxSpMiddle
2409style='text-indent:-.25in;mso-list:l5 level1 lfo10'>
24101. Copy
2411the histogram parameters to be the same in all histograms: In
2412this case we have changed limits and varied background and sample
2413parameter values in the first histogram. We will copy those values to
2414all histograms. Select the original histogram, entry
2415<b>PWDR OH_00.fxye Bank 1</b>
2416and then use the menu command <b><span
2417style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2418mso-hansi-theme-font:major-latin'>Commands/Copy params</span></b>. </p>
2419
2420<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2421
2422<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_20"
2423 o:spid="_x0000_s1034" type="#_x0000_t75" style='position:absolute;left:0;
2424 text-align:left;margin-left:111.35pt;margin-top:45.2pt;width:162.55pt;
2425 height:159.05pt;z-index:251669504;visibility:visible;mso-wrap-style:square;
2426 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2427 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2428 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2429 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2430 mso-position-vertical-relative:margin;mso-width-percent:0;
2431 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2432 <v:imagedata src="SequentialTutorial_files/image052.png" o:title=""/>
2433 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2434</v:shape><![endif]--><![if !vml]><img width=217 height=212
2435src="SequentialTutorial_files/image123.png" align=right hspace=12 v:shapes="Picture_x0020_20"><![endif]>This
2436causes a dialog box where the different histogram parameters sets to be copied are selected. We need to
2437duplicate the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2438"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2439major-latin'>Limits</span></b>, <b style='mso-bidi-font-weight:normal'><span
2440style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2441mso-hansi-theme-font:major-latin'>Background</span></b> and <b
2442style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2443mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2444Parameters</span></b> between all histograms.
2445(Note that the Instrument Parameters
2446have not been changed in this exercise from what was read from the same
2447instrument parameter file so they are already the same, but there is no harm in copying them, so the default
2448entries do not need to be changed.) <span style='mso-bidi-font-weight:bold'>Press<b>
2449</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2450major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>. Note that
2451 this action will only copy the initial values the Sample
2452 Parameters section (including all that can be refined) but will not
2453 change values such as as setting angles, temperature, etc. </p>
2454
2455<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2456
2457<p class=MsoListParagraphCxSpMiddle>An additional dialog window is shown which
2458asks which histograms should receive the parameters. <span style='mso-bidi-font-weight:
2459bold'>Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2460mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b><span
2461style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2462mso-hansi-theme-font:major-latin'> </span>to select all remaining histograms
2463and then <span style='mso-bidi-font-weight:bold'>press<b> </b></span><b><span
2464style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2465mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
2466
2467<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2468
2469<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2470mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_20" o:spid="_x0000_i1043"
2471 type="#_x0000_t75" style='width:161.25pt;height:159pt;visibility:visible;
2472 mso-wrap-style:square'>
2473 <v:imagedata src="SequentialTutorial_files/image054.png" o:title="" croptop="3169f"
2474  cropbottom="8776f" cropleft="6460f" cropright="6263f"/>
2475</v:shape><![endif]--><![if !vml]><img width=215 height=212
2476src="SequentialTutorial_files/image124.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
2477
2478<p class=MsoListParagraphCxSpLast>It can be confirmed that the copy has been performed
2479by examining any of the additional histogram plots (to see the
2480changed lower limit) or looking at Background or Sample Parameter
2481values in the Data Editing window.</p>
2482
2483<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2484
2485<p class=MsoListParagraphCxSpFirst
2486style='text-indent:-.25in;mso-list:l5 level1 lfo10'>2.
2487<span
2488style='mso-bidi-font-weight:bold'>
2489Next we need to copy the Phase/Histogram parameters (in Phase/Data tab)
2490for each phase:
2491Select the first phase</span> (<b
2492style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2493mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>)
2494and click on its <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2495major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2496style='mso-bidi-font-weight:bold'> tab</span>. When this tab is first
2497pressed, the first histogram linked to this phase (first entry in the
2498list at the upper left) is automatically displayed and the parameters
2499associated with this phase and histogram are displayed. These need to
2500be copied to every other histogram. To do this select the <b><span
2501style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2502mso-hansi-theme-font:major-latin'>Copy data</span></b><span style='mso-bidi-font-weight:
2503bold'> menu item from the </span><b><span style='font-family:"Calibri",sans-serif;
2504mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Edit Phase
2505</span></b>menu. A dialog window then appears to select where to
2506copy the parameters. Select all histograms by pressing the <b>Set
2507All</b> button. Then press the <b>OK</b> button.
2508
2509<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2510
2511<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2512mso-no-proof:yes'>
2513<img width=229 
2514src="SequentialTutorial_files/image126.png"
2515v:shapes="Picture_x0020_23">
2516</p>
2517
2518<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2519
2520<p class=MsoListParagraphCxSpMiddle>It can be verified that the copy took place
2521by clicking on different histograms in the list on the upper left of
2522the Data tab window.</p>
2523
2524<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2525
2526<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
2527style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2528style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2529style='mso-bidi-font-weight:bold'>Repeat this copying the
2530Phase/Histogram parameters within the second phase</span> by clicking on it (<b style='mso-bidi-font-weight:normal'><span
2531style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2532mso-hansi-theme-font:major-latin'>CuO</span></b>) in the data tree (and
2533possibly on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2534"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2535major-latin'>Data</span></b> tab.) Then click on the <b>Edit
2536Phase/Copy data</b> menu item and again select all histograms and
2537press <b>OK</b> as in the last step.</p>
2538
2539<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2540
2541<h1>Step 5: Setup and start the sequential refinement. </h1>
2542
2543<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2544
2545<p class=MsoNormal>At this point we set which histograms will be used in
2546the fit and set option that the resulting parameters from the results of each
2547refinement will be used for the next refinement.</p>
2548
2549<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2550
2551<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2552style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2553style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2554 id="Picture_x0020_24" o:spid="_x0000_s1033" type="#_x0000_t75" style='position:absolute;
2555 left:0;text-align:left;margin-left:111.65pt;margin-top:90.2pt;width:162.85pt;
2556 height:156.85pt;z-index:251682816;visibility:visible;mso-wrap-style:square;
2557 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2558 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2559 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2560 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2561 mso-position-vertical-relative:margin;mso-width-percent:0;
2562 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2563 <v:imagedata src="SequentialTutorial_files/image062.png" o:title="" croptop="4033f"
2564  cropbottom="8773f" cropleft="6179f" cropright="5980f"/>
2565 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2566</v:shape><![endif]--><![if !vml]><img width=217 height=209
2567src="SequentialTutorial_files/image128.png" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>First,
2568<span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
2569style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2570mso-hansi-theme-font:major-latin'>Controls</span> </b><span style='mso-bidi-font-weight:
2571bold'>item</span> in the data tree and press the <b><span style='font-family:
2572"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2573major-latin'>Select data</span> </b><span style='mso-bidi-font-weight:bold'>button</span>.
2574</p>
2575
2576<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2577mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_25" o:spid="_x0000_i1039"
2578 type="#_x0000_t75" style='width:267pt;height:84.75pt;visibility:visible;
2579 mso-wrap-style:square'>
2580 <v:imagedata src="SequentialTutorial_files/image064.png" o:title=""/>
2581</v:shape><![endif]--><![if !vml]><img width=356 height=113
2582src="SequentialTutorial_files/image129.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
2583
2584<p class=MsoListParagraphCxSpMiddle>This opens a window where all histograms can
2585be selected (it would be equally valid to skip the first histogram, since that
2586has already been fully fit). <span style='mso-bidi-font-weight:bold'>Press<b> </b></span><b><span
2587style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2588mso-hansi-theme-font:major-latin'>OK</span></b> and note that the <b
2589style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2590mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Controls</span></b>
2591window now lists the number of datasets in the sequential refinement and two
2592new controls. </p>
2593
2594<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2595
2596<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2597style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2598style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2599 id="Picture_x0020_34" o:spid="_x0000_s1032" type="#_x0000_t75" style='position:absolute;
2600 left:0;text-align:left;margin-left:218.8pt;margin-top:225.2pt;width:270pt;
2601 height:95.75pt;z-index:251683840;visibility:visible;mso-wrap-style:square;
2602 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2603 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2604 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2605 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2606 mso-position-vertical-relative:margin;mso-width-percent:0;
2607 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2608 <v:imagedata src="SequentialTutorial_files/image066.png" o:title="" croptop="5426f"
2609  cropbottom="12546f" cropleft="3993f" cropright="3707f"/>
2610 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2611</v:shape><![endif]--><![if !vml]><img width=360 height=128
2612src="SequentialTutorial_files/image130.png" align=right hspace=12 v:shapes="Picture_x0020_34"><![endif]><span
2613style='mso-bidi-font-weight:bold'>Check the<b> </b></span><b><span
2614style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2615mso-hansi-theme-font:major-latin'>Copy results to next histogram</span> </b><span
2616style='mso-bidi-font-weight:bold'>checkbox</span>. This is essential. If this
2617is not selected, then every refinement will start with the current parameters
2618(which are all identical, since they were set with the Copy operations.) The
2619first few refinements will go well, but after the temperature has changed
2620enough, the starting lattice parameters (determined from the cell and
2621with Dxx, where the latter values are near zero) will be too far off
2622to align with the peaks and the refinements will fail. </p>
2623
2624<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2625
2626<p class=MsoListParagraphCxSpMiddle>Note that the Reverse order checkbox causes
2627the sequential refinement to start with the last histogram, not the first.
2628Sometimes this is useful, but not here. </p>
2629
2630<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2631
2632<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2633style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2634style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2635style='mso-bidi-font-weight:bold'>Change </span><b><span style='font-family:
2636"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2637major-latin'>Max cycles</span></b><span style='mso-bidi-font-weight:bold'> to<b>
2638</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2639major-latin;mso-hansi-theme-font:major-latin'>10</span>.</b> By
2640increasing the number of cycles, we allow the lattice parameters to
2641to fully adjust to the current histogram.
2642</p>
2643
2644<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2645
2646<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2647style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2648style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2649 id="Picture_x0020_28" o:spid="_x0000_s1031" type="#_x0000_t75" style='position:absolute;
2650 left:0;text-align:left;margin-left:28.3pt;margin-top:513.2pt;width:79.5pt;
2651 height:51.5pt;z-index:251671552;visibility:visible;mso-wrap-style:square;
2652 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2653 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2654 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2655 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2656 mso-position-vertical-relative:margin;mso-width-percent:0;
2657 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2658 <v:imagedata src="SequentialTutorial_files/image068.png" o:title=""/>
2659 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2660</v:shape><![endif]--><![if !vml]><img width=106 height=69
2661src="SequentialTutorial_files/image131.jpg" align=right hspace=12 v:shapes="Picture_x0020_28"><![endif]>Start
2662the sequential refinement with <b><span style='font-family:"Calibri",sans-serif;
2663mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
2664refine</span></b><span style='mso-bidi-font-weight:bold'>; this will take some
2665time as the refinement works its way through all the histograms.</span></p>
2666
2667<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2668
2669<p class=MsoListParagraphCxSpMiddle>Note that if the copy operations in <b
2670style='mso-bidi-font-weight:normal'>Step 4</b> were not performed correctly,
2671the refined parameters in each refinement will not be the same
2672and the refinement will stop
2673with an error such as this: </p>
2674
2675<p class=MsoListParagraphCxSpLast>
2676<span style='mso-ignore:vglayout'>
2677 <table cellpadding=0 cellspacing=0>
2678  <tr>
2679   <td width=48 height=0></td>
2680  </tr>
2681  <tr>
2682   <td></td>
2683   <td><img width=572 height=108 src="SequentialTutorial_files/image132.png"
2684   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;"
2685   v:shapes="Text_x0020_Box_x0020_3"></td>
2686  </tr>
2687 </table>
2688 </span>
2689 <br style='mso-ignore:vglayout' clear=ALL>
2690(This error results if the parameters for the second phase were not copied in
2691part 3 so that the phase fraction and strain broadening are retained for all
2692but the first histogram and the 1::D<i style='mso-bidi-font-style:normal'>ii</i>
2693terms are only included the first.)</p>
2694
2695<h1>Step 6: Examine the sequential refinement results.</h1>
2696
2697<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2698
2699<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo14'><![if !supportLists]><span
2700style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2701style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>When
2702the refinement completes, a window will be displayed where you are asked if you
2703want to load the results:</p>
2704
2705<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2706
2707<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
2708  id="Picture_x0020_29" o:spid="_x0000_s1029" type="#_x0000_t75" style='position:absolute;
2709  left:0;text-align:left;margin-left:78.4pt;margin-top:-102.75pt;width:240.4pt;
2710  height:77.1pt;z-index:251686912;visibility:visible;mso-wrap-style:square;
2711  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2712  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2713  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
2714  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
2715  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
2716  mso-width-relative:page;mso-height-relative:page'>
2717  <v:imagedata src="SequentialTutorial_files/image071.png" o:title=""
2718   croptop="5978f" cropbottom="14816f" cropleft="4284f" cropright="4357f"/>
2719  <w:wrap type="topAndBottom"/>
2720 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
2721 <table cellpadding=0 cellspacing=0 align=left>
2722  <tr>
2723   <td width=104 height=0></td>
2724  </tr>
2725  <tr>
2726   <td></td>
2727   <td><img width=321 height=103 src="SequentialTutorial_files/image133.png"
2728   v:shapes="Picture_x0020_29"></td>
2729  </tr>
2730 </table>
2731 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
2732style='mso-ignore:vglayout' clear=ALL>
2733</p>
2734
2735<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>After
2736doing </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2737major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>, the <b
2738style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2739mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sequential
2740Results</span></b> item in the data tree is automatically selected, which
2741displays a summary of the refinement results as a large table. </p>
2742
2743<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2744
2745<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2746mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_54" o:spid="_x0000_i1038"
2747 type="#_x0000_t75" style='width:525pt;height:262.5pt;visibility:visible;
2748 mso-wrap-style:square'>
2749 <v:imagedata src="SequentialTutorial_files/image073.png" o:title=""/>
2750</v:shape><![endif]--><![if !vml]><img width=700 height=350
2751src="SequentialTutorial_files/image134.png" v:shapes="Picture_x0020_54"><![endif]></span></p>
2752
2753<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2754
2755<p class=MsoListParagraphCxSpMiddle>The second column shows the weighted profile
2756R-factor, from each fit. This shows a steady increase with temperature, as
2757might be expected if there were a systematic change in some sample parameters,
2758such as strain or background or even atomic coordinates (all of which have not yet
2759been individually fit).
2760 The &#916;&#967;<sup>2</sup> value in the third column shows the
2761percent improvement in &#967;<sup>2</sup> seen in the last cycle of refinement.
2762(As an example, if &#967;<sup>2</sup> were to change from 4.1 to 4.0, then the value will be 100*(4.1-4.0)/4.0, or
27632.5). Since the default convergence criterion in the controls is
2764 0.0001 (or 0.01%) small values, as shown above, indicate the
2765refinement converged. It is good idea to make sure that shifts are
2766small, if need be by running further cycles of
2767refinement, before adding more parameters to be varied. </p>
2768
2769<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2770
2771<p class=MsoListParagraphCxSpMiddle>Subsequent columns will show any of the
2772sample parameters that vary across the datasets, here only temperature and then
2773the direct cell lattice constants for each phase, generated from the A<i
2774style='mso-bidi-font-style:normal'>x</i> and D<i style='mso-bidi-font-style:
2775normal'>ij</i> terms. Scrolling further shows the values of each refined
2776parameter. </p>
2777
2778<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2779
2780<p class=MsoListParagraphCxSpMiddle>Before going farther, it is useful to
2781review the trends in the lattice parameters as a sanity check. This can be done
2782by <span style='mso-bidi-font-weight:bold'>double-clicking on a column of the
2783table</span>, such as the <b style='mso-bidi-font-weight:normal'><span
2784style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2785mso-hansi-theme-font:major-latin'>0::b</span></b> parameter, which displays
2786this plot:</p>
2787
2788<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2789
2790<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2791mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42" o:spid="_x0000_i1037"
2792 type="#_x0000_t75" style='width:349.5pt;height:300pt;visibility:visible;
2793 mso-wrap-style:square'>
2794 <v:imagedata src="SequentialTutorial_files/image075.png" o:title=""/>
2795</v:shape><![endif]--><![if !vml]><img width=466 height=400
2796src="SequentialTutorial_files/image135.jpg" v:shapes="Picture_x0020_42"><![endif]></span></p>
2797
2798<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2799
2800<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_43"
2801 o:spid="_x0000_s1028" type="#_x0000_t75" style='position:absolute;left:0;
2802 text-align:left;margin-left:108.85pt;margin-top:423.2pt;width:160.05pt;
2803 height:154.9pt;z-index:251687936;visibility:visible;mso-wrap-style:square;
2804 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2805 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2806 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2807 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2808 mso-position-vertical-relative:margin;mso-width-percent:0;
2809 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2810 <v:imagedata src="SequentialTutorial_files/image077.png" o:title="" croptop="4537f"
2811  cropbottom="8924f" cropleft="6531f" cropright="6547f"/>
2812 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2813</v:shape><![endif]--><![if !vml]><img width=213 height=207
2814src="SequentialTutorial_files/image136.png" align=right hspace=12 v:shapes="Picture_x0020_43"><![endif]>Pressing
2815the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2816mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2817icon and selecting the "s - select x-axis" option or <span
2818 style='mso-bidi-font-weight:bold'>simply pressing the “</span><b><span
2819style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2820mso-hansi-theme-font:major-latin'>s</span></b><span style='mso-bidi-font-weight:
2821bold'>” key</span> brings up a menu where the x-axis can be selected as
2822temperature. (If the plot fails to update, click on another column and then
2823return to the original column.)</p>
2824
2825<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2826
2827<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2828mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_45" o:spid="_x0000_i1036"
2829 type="#_x0000_t75" style='width:291.75pt;height:222pt;visibility:visible;
2830 mso-wrap-style:square'>
2831 <v:imagedata src="SequentialTutorial_files/image079.png" o:title=""/>
2832</v:shape><![endif]--><![if !vml]><img width=389 height=296
2833src="SequentialTutorial_files/image137.jpg" v:shapes="Picture_x0020_45"><![endif]></span></p>
2834
2835<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2836
2837<h1>Step 7: Continue the sequential refinement. </h1>
2838
2839<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2840
2841<p class=MsoNormal>At this point we choose to continue the refinements from
2842their current values (note that the <b style='mso-bidi-font-weight:normal'><span
2843style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2844mso-hansi-theme-font:major-latin'>Copy results to next histogram</span></b>
2845checkbox is automatically unchecked after a successful sequential refinement.)
2846including some additional parameters in the refinement. We will do this is a
2847few steps. </p>
2848
2849<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2850
2851<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2852style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2853style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2854style='mso-bidi-font-weight:bold'>Restore the refinement of background
2855parameters</span> as before. Do this by selecting the
2856<b>Background</b> tree item for any one histogram, set the flags, as
2857below. </p>
2858<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2859
2860<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2861mso-no-proof:yes'>
2862<img width=384
2863src="SequentialTutorial_files/image138.png" v:shapes="Picture_x0020_47"></span></p>
2864
2865<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2866<p class=MsoListParagraphCxSpMiddle> Then <span
2867style='mso-bidi-font-weight:bold'>use the<b> </b></span><b><span
2868style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2869mso-hansi-theme-font:major-latin'>File/Copy flags</span></b> menu item to copy
2870these refinement flags (only) to all other histograms. NB: the <b style='mso-bidi-font-weight:
2871normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2872major-latin;mso-hansi-theme-font:major-latin'>File/Copy</span></b>
2873menu item would copy the
2874parameter values as well the flags; in this case it would not matter, since all
2875the background values are still the same, but in general this is probably
2876not what you will want to do here. </p>
2877
2878<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2879
2880<p class=MsoListParagraphCxSpLast><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
2881 o:spid="_x0000_s1027" type="#_x0000_t75" style='position:absolute;left:0;
2882 text-align:left;margin-left:0;margin-top:0;width:56pt;height:35pt;z-index:251688960;
2883 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
2884 mso-height-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
2885 mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
2886 mso-position-horizontal:left;mso-position-horizontal-relative:margin;
2887 mso-position-vertical:top;mso-position-vertical-relative:margin;
2888 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
2889 mso-height-relative:page'>
2890 <v:imagedata src="SequentialTutorial_files/image083.png" o:title=""/>
2891 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2892</v:shape><![endif]--><![if !vml]><img width=75 height=47
2893src="SequentialTutorial_files/image139.jpg" align=left hspace=12 v:shapes="Picture_x0020_48"><![endif]><span
2894style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2895 id="Picture_x0020_49" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:158.25pt;
2896 height:152.25pt;visibility:visible;mso-wrap-style:square'>
2897 <v:imagedata src="SequentialTutorial_files/image085.png" o:title=""/>
2898</v:shape><![endif]--><![if !vml]><img width=211 height=203
2899src="SequentialTutorial_files/image140.jpg" v:shapes="Picture_x0020_49"><![endif]></span></p>
2900
2901<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2902
2903<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2906</span></span></span><![endif]>Likewise, resume varying the
2907<b><span
2908style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2909mso-hansi-theme-font:major-latin'>Sample X displacement</span></b>
2910parameter on the <b>Sample Parameters</b> tab for any one histogram and again
2911use the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2912major-latin;mso-hansi-theme-font:major-latin'>Command/Copy flags</span> </b><span
2913style='mso-bidi-font-weight:bold'>menu item to all other histograms.</span> </p>
2914
2915<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2916
2917<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2918mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84" o:spid="_x0000_i1033"
2919 type="#_x0000_t75" alt="Description: BHT3 HD:private:tmp:s1.png" style='width:177.75pt;
2920 height:233.25pt;visibility:visible;mso-wrap-style:square'>
2921 <v:imagedata src="SequentialTutorial_files/image087.png" o:title="s1"
2922  croptop="2496f" cropbottom="6549f" cropleft="5811f" cropright="6065f"/>
2923</v:shape><![endif]--><![if !vml]><img width=237 height=311
2924src="SequentialTutorial_files/image141.png"
2925alt="Description: BHT3 HD:private:tmp:s1.png" v:shapes="Picture_x0020_84"><![endif]></span></p>
2926
2927<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2928
2929<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2930style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2931style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2932</span></span></span><![endif]>For the
2933Phase/histogram parameters <span style='mso-bidi-font-weight:bold'>add the three
2934broadening terms</span> for the CuCr<sub>2</sub>O<sub>4</sub>
2935(<b>CuCr2O4; data tab</b>) phase; then use the <b>Edit Phase/Copy
2936flags</b></span> menu item so that they are varied for all
2937histograms. Do not use "Edit Phase/Copy data" menu item, as this would reset all
2938the lattice constant displacements to a single set of values, wiping
2939out the results of the previous refinement.
2940</p>
2941
2942
2943<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2944
2945<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2946mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52" o:spid="_x0000_i1032"
2947 type="#_x0000_t75" style='width:249pt;height:180.75pt;visibility:visible;
2948 mso-wrap-style:square'>
2949 <v:imagedata src="SequentialTutorial_files/image089.png" o:title=""/>
2950</v:shape><![endif]--><![if !vml]><img width=332 height=241
2951src="SequentialTutorial_files/image142.jpg" v:shapes="Picture_x0020_52"><![endif]></span></p>
2952
2953<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2954<p class=MsoListParagraphCxSpMiddle>
2955For the <span style='mso-bidi-font-weight:bold'><b>CuO</b> phase, add the single
2956sample broadening term and the remaining lattice parameter</span> via the <b
2957style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2958mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D13</span></b>
2959term.<span style='mso-spacerun:yes'>  </span>Again, <span style='mso-bidi-font-weight:
2960bold'>use the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2961mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Copy flags?</span>
2962</b><span style='mso-bidi-font-weight:bold'>button</span>.
2963
2964
2965<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2966mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53" o:spid="_x0000_i1031"
2967 type="#_x0000_t75" style='width:249pt;height:186.75pt;visibility:visible;
2968 mso-wrap-style:square'>
2969 <v:imagedata src="SequentialTutorial_files/image091.png" o:title=""/>
2970</v:shape><![endif]--><![if !vml]><img width=332 height=249
2971src="SequentialTutorial_files/image143.jpg" v:shapes="Picture_x0020_53"><![endif]></span></p>
2972
2973<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p> 
2974<p class=MsoListParagraphCxSpMiddle>
2975Note that we are not varying the Phase fractions, as this will require
2976a change in the constraints, which will be
2977discussed later. </p>
2978
2979<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2980
2981<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2982style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2983style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Start
2984the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
2985mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
2986refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
2987fits are significantly improved at higher temperatures, with R<sub>wp</sub>
2988values between 13.8 and 17.</p>
2989
2990<h1>Step 8: Sequential refinement constraints</h1>
2991
2992<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2993
2994<p class=MsoListParagraphCxSpMiddle
2995style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
29961. We
2997can now add the phase fractions into the refinement, by clicking on the <b>
2998Phase fraction</b> checkbox and <b style='mso-bidi-font-weight:normal'><span
2999style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3000mso-hansi-theme-font:major-latin'>Copy Flags</span></b> button for both phases.
3001However, if the refinement is attempted at this point a subtle error
3002will occur. If one looks at the phase fractions for all but the first
3003histogram, the sum of the phase fractions will not add up to one. The
3004reason for this is because the constraint we added in
3005<a href="#constraint">Step 1, section 6.</a>
3006only constrained the values of <tt>0:0:Scale</tt> and
3007<tt>1:0:Scale</tt>.
3008</p>
3009
3010<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3011<p class=MsoListParagraphCxSpMiddle>We could define a new constraint
3012for each histogram
3013(on <tt>0:</tt><i>i</i><tt>:Scale</tt> and <tt>1:</tt><i>i</i><tt>:Scale</tt>
3014for <i>i</i>=1,2,...), but this would be rather
3015tedious. We have an
3016alternate way to define this using a single constraint where a
3017wildcard (<span
3018style='font-family:Courier'>*</span>) is used for the histogram
3019number.
3020Wildcards only apply to
3021sequential fits and causes the current histogram number to be inserted for the <span
3022style='font-family:Courier'>*</span> when each histogram is used. </p>
3023
3024<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3025
3026<p class=MsoListParagraphCxSpMiddle>To set up the new constraint, <span
3027style='mso-bidi-font-weight:bold'>click on the </span><b><span
3028style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3029mso-hansi-theme-font:major-latin'>Constraints</span></b><span style='mso-bidi-font-weight:
3030bold'> item</span> in the data tree and the <b><span style='font-family:"Calibri",sans-serif;
3031mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Select
3032tab/Histogram/Phase</span></b><span style='mso-bidi-font-weight:bold'> menu
3033item</span>, and then <span style='mso-bidi-font-weight:bold'>click on the </span><b><span
3034style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3035mso-hansi-theme-font:major-latin'>Edit Constr./Add constraint equation</span></b> menu item.
3036From the menu, we want one of the two <b><span style='font-family:"Calibri",sans-serif;
3037mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x:*:Scale</span></b><span
3038style='mso-bidi-font-weight:bold'> wild card phase fractions</span>; they are
3039at the bottom of the list </p>
3040
3041<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3042style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3043 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:359.25pt;
3044 height:155.25pt;visibility:visible;mso-wrap-style:square'>
3045 <v:imagedata src="SequentialTutorial_files/image094.png" o:title="" croptop="3844f"
3046  cropbottom="8174f" cropleft="3258f" cropright="2910f"/>
3047</v:shape><![endif]--><![if !vml]><img width=479 height=207
3048src="SequentialTutorial_files/image145.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
3049
3050<p class=MsoListParagraphCxSpMiddle>There will only be one possible matching
3051variable in the next window, so <span style='mso-bidi-font-weight:bold'>select
3052that and press </span><b><span style='font-family:"Calibri",sans-serif;
3053mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.</p>
3054
3055<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3056mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" o:spid="_x0000_i1029"
3057 type="#_x0000_t75" style='width:311.25pt;height:104.25pt;visibility:visible;
3058 mso-wrap-style:square'>
3059 <v:imagedata src="SequentialTutorial_files/image096.png" o:title="" croptop="5557f"
3060  cropbottom="11943f" cropleft="3390f" cropright="3551f"/>
3061</v:shape><![endif]--><![if !vml]><img width=415 height=139
3062src="SequentialTutorial_files/image146.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
3063
3064<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3065
3066<p class=MsoListParagraphCxSpMiddle>The initial and the most recently defined
3067constraints will then be shown. These two constraints do the same
3068thing for the first histogram and do not interfere but it is best to
3069remove the orignal constraint for simplicity.</p>
3070
3071<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3072mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_28" o:spid="_x0000_i1028"
3073 type="#_x0000_t75" style='width:249.75pt;height:83.25pt;visibility:visible;
3074 mso-wrap-style:square'>
3075 <v:imagedata src="SequentialTutorial_files/image098.png" o:title="" croptop="6527f"
3076  cropbottom="13784f" cropleft="4299f" cropright="4371f"/>
3077</v:shape><![endif]--><![if !vml]><img width=333 height=111
3078src="SequentialTutorial_files/image147.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
3079
3080<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3081
3082<p class=MsoListParagraphCxSpMiddle>To remove the initial constrain
3083press the <b>Delete</b> button in front of the first constraint to remove
3084it.</p>
3085
3086<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3087style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3088 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:252.75pt;
3089 height:84pt;visibility:visible;mso-wrap-style:square'>
3090 <v:imagedata src="SequentialTutorial_files/image100.png" o:title="" croptop="7993f"
3091  cropbottom="14017f" cropleft="4425f" cropright="4157f"/>
3092</v:shape><![endif]--><![if !vml]><img width=337 height=112
3093src="SequentialTutorial_files/image148.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
3094
3095<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3096
3097<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
30982. Start
3099the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3100mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3101refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item<b>.</b></span>
3102Three new columns appear at the end of the table for <b style='mso-bidi-font-weight:
3103normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3104major-latin;mso-hansi-theme-font:major-latin'>::constr0</span></b> (generated
3105by the constraint) and the initial variables, <b style='mso-bidi-font-weight:
3106normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3107major-latin;mso-hansi-theme-font:major-latin'>0:*:Scale</span></b> and <b
3108style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3109mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1:*:Scale</span></b>.
3110Changes to the R<sub>wp</sub> values are quite small, even though the
3111phase fraction for
3112the minor phase changes significantly. This indicates that the refinement is
3113relatively insensitive to these values. This would be a good argument
3114for fixing the value as a constant. </p>
3115
3116<h1>Step 9: Atomic parameter refinement</h1>
3117
3118<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3119
3120<p class=MsoListParagraphCxSpMiddle>The last thing we will add to the
3121refinement will be atomic parameters. Note that these are handled a bit
3122differently than the previous things we have refined. There is only one set of
3123coordinates for each phase and these will be refined for each histogram, but
3124are not saved individually, except in the summary table.</p>
3125
3126<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3127<p class=MsoListParagraphCxSpMiddle>This means that after the
3128sequential refinement has been run, the atomic parameters in the
3129phase(s) will correspond to the last histogram.
3130If we repeat the sequential refinement, the coordinates, etc.
3131from the last histogram will be used to fit the first histogram. This
3132may work fine, but if the values have changed significantly between
3133the first and last histogram, there could be problems. The Reverse order
3134checkbox on the Controls causes the sequential refinement to start with the
3135last histogram, which would avoid this issue. </p>
3136
3137<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3138
3139<p class=MsoListParagraphCxSpLast
3140style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
31411. Select
3142the </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3143major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span
3144style='mso-bidi-font-weight:bold'> phase</span> to and then the <b
3145style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3146mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Atoms</span></b>
3147tab. <span style='mso-bidi-font-weight:bold'>Double-click on the </span><b><span
3148style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3149mso-hansi-theme-font:major-latin'>refine</span></b><span style='mso-bidi-font-weight:
3150bold'> label</span> at the top of the atoms table, a refinement controls dialog
3151opens, <span style='mso-bidi-font-weight:bold'>select </span><b><span
3152style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3153mso-hansi-theme-font:major-latin'>X</span></b><span style='mso-bidi-font-weight:
3154bold'> to refine coordinates (only O has coordinates not fixed by symmetry) and
3155</span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3156major-latin;mso-hansi-theme-font:major-latin'>U</span></b> to refine the atomic
3157displacement (Uiso) values.<span style='mso-spacerun:yes'>  </span><span
3158style='mso-bidi-font-weight:bold'>Press </span><b><span style='font-family:
3159"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
3160major-latin'>OK</span></b><span style='mso-bidi-font-weight:bold'>.</span> </p>
3161
3162<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3163mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_31" o:spid="_x0000_i1026"
3164 type="#_x0000_t75" style='width:167.25pt;height:156pt;visibility:visible;
3165 mso-wrap-style:square'>
3166 <v:imagedata src="SequentialTutorial_files/image102.png" o:title=""/>
3167</v:shape><![endif]--><![if !vml]><img width=223 height=208
3168src="SequentialTutorial_files/image149.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
3169
3170<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3171<p class=MsoListParagraphCxSpMiddle>Note the change in the atom table:</p>
3172
3173<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3174mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32" o:spid="_x0000_i1025"
3175 type="#_x0000_t75" style='width:353.25pt;height:152.25pt;visibility:visible;
3176 mso-wrap-style:square'>
3177 <v:imagedata src="SequentialTutorial_files/image104.png" o:title=""/>
3178</v:shape><![endif]--><![if !vml]><img width=471 height=203
3179src="SequentialTutorial_files/image150.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
3180
3181<p class=MsoListParagraphCxSpMiddle>Note that since these parameters are shared
3182directly in all histograms, no Copy or Copy flags menu item is needed or even
3183available. </p>
3184
3185<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3186
3187<p class=MsoListParagraphCxSpLast
3188style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
31892. Start
3190the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3191mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3192refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
3193fits are somewhat at the higher temperatures, with R<sub>wp</sub>
3194values between 13.8 and 16.4. As would be expected the Uiso values
3195increase with temperature, but the Uiso values for the O atom are less
3196than 0.0 at the lowest temperature. This indicates that these data are
3197insufficient to determine atomic displacements accurately for such a
3198relatively light atom.</p>
3199
3200<p>
3201This completes the sequential refinement tutorial, although several more things
3202could be attempted to further improve the refinement quality.
3203
3204Be sure to save the project file by <span
3205style='mso-bidi-font-weight:bold'>selecting the </span><b><span
3206style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3207mso-hansi-theme-font:major-latin'>File/Save project</span></b><span
3208style='mso-bidi-font-weight:bold'> menu item</span>, since this will used in a
3209later tutorial.
3210
3211In the <b
3212style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3213mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Parametric
3214Fitting and Pseudo Variables for Sequential Fits</span></b> tutorial, functions
3215of fitted parameters are computed and plotted and results are fitted to
3216equations of state.</p>
3217
3218Last tested with GSAS-II version 2841<br>
3219<!-- hhmts start -->Last modified: Fri May 12 18:18:37 CDT 2017 <!-- -->
3220<!--hhmts end -->
3221
3222</div>
3223
3224</body>
3225
3226</html>
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