source: Tutorials/SeqRefine/SequentialTutorial.htm @ 2842

Last change on this file since 2842 was 2842, checked in by toby, 5 years ago

cleanups: crash in show LS params; show constraint vars; set filters blank. Tutorials: set import to use download directory; Copy of phase/hist parms: remove current hist from selection; cleanup labels; Extensive revisions to SeqRef? tutorial

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File size: 165.9 KB
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413  <w:LsdException Locked="false" Priority="72" Name="Colorful List"/>
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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776        mso-outline-level:2;
777        font-size:13.0pt;
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
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1370</style>
1371<![endif]-->
1372<meta name=Title content="">
1373<meta name=Keywords content="">
1374<!--[if gte mso 9]><xml>
1375 <o:shapedefaults v:ext="edit" spidmax="1047"/>
1376</xml><![endif]--><!--[if gte mso 9]><xml>
1377 <o:shapelayout v:ext="edit">
1378  <o:idmap v:ext="edit" data="1"/>
1379 </o:shapelayout></xml><![endif]-->
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<h1>Step 1: Fit a single temperature. </h1>
1436
1437<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1438
1439<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1440style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1441style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shapetype
1442 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1443 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1444 <v:stroke joinstyle="miter"/>
1445 <v:formulas>
1446  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1447  <v:f eqn="sum @0 1 0"/>
1448  <v:f eqn="sum 0 0 @1"/>
1449  <v:f eqn="prod @2 1 2"/>
1450  <v:f eqn="prod @3 21600 pixelWidth"/>
1451  <v:f eqn="prod @3 21600 pixelHeight"/>
1452  <v:f eqn="sum @0 0 1"/>
1453  <v:f eqn="prod @6 1 2"/>
1454  <v:f eqn="prod @7 21600 pixelWidth"/>
1455  <v:f eqn="sum @8 21600 0"/>
1456  <v:f eqn="prod @7 21600 pixelHeight"/>
1457  <v:f eqn="sum @10 21600 0"/>
1458 </v:formulas>
1459 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1460 <o:lock v:ext="edit" aspectratio="t"/>
1461</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_s1046" type="#_x0000_t75"
1462 style='position:absolute;left:0;text-align:left;margin-left:151.8pt;
1463 margin-top:0;width:203pt;height:69.5pt;z-index:251659264;visibility:visible;
1464 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
1465 mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1466 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1467 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1468 mso-position-vertical-relative:margin;mso-width-percent:0;
1469 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1470 <v:imagedata src="SequentialTutorial_files/image001.png" o:title=""/>
1471 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1472</v:shape><![endif]--><![if !vml]><img width=271 height=93
1473src="SequentialTutorial_files/image008.jpg" align=right hspace=12 v:shapes="Picture_x0020_1"><![endif]>Use
1474the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1475mso-hansi-theme-font:major-latin'>Import/Phase/from CIF file menu item</span></b>
1476to read the phase information </p>
1477
1478<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1479
1480<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1481style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1482style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>In
1483the file browser dialog window that is created, <span style='mso-bidi-font-weight:
1484bold'>change the file type from<b> “</b></span><b><span style='font-family:
1485"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1486major-latin'>CIF file</span>” </b><span style='mso-bidi-font-weight:bold'>to<b>
1487“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1488major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>”</b> and <span
1489style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1490style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1491mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1492bold'>file</span> (change the file directory to <b style='mso-bidi-font-weight:
1493normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1494major-latin;mso-hansi-theme-font:major-latin'>SeqRefine/data</span></b>).
1495Another dialog window will be created showing all the files in the zip archive.
1496To simplify the view to only show the phase files, type “<b style='mso-bidi-font-weight:
1497normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1498major-latin;mso-hansi-theme-font:major-latin'>cif</span></b>” (or “<b
1499style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1500mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CIF</span></b>”
1501– case is ignored) into the filter. <span style='mso-bidi-font-weight:bold'>Select
1502the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1503major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4.cif</span> </b><span
1504style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1505style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1506mso-hansi-theme-font:major-latin'>CuO.cif</span> </b><span style='mso-bidi-font-weight:
1507bold'>input files. Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1508mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1509</p>
1510
1511<p class=MsoListParagraphCxSpMiddle>(Note that if files CuCr2O4.cif or the
1512CuO.cif already exist, you will be asked to OK overwriting them.)</p>
1513
1514<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1515
1516<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1517style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
1518style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
1519will be asked sequentially for the name for each phase. The defaults (<b
1520style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1521mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>
1522and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1523mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
1524are fine, so <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1525major-latin;mso-hansi-theme-font:major-latin'>OK</span> </b><span
1526style='mso-bidi-font-weight:bold'>can be pressed for each question</span>.<span
1527style='mso-spacerun:yes'>  </span></p>
1528
1529<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1530
1531<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1532style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
1533style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1534 id="Picture_x0020_21" o:spid="_x0000_s1045" type="#_x0000_t75" style='position:absolute;
1535 left:0;text-align:left;margin-left:161.8pt;margin-top:0;width:213pt;height:89pt;
1536 z-index:251675648;visibility:visible;mso-wrap-style:square;
1537 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1538 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1539 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1540 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1541 mso-position-vertical-relative:margin;mso-width-percent:0;
1542 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1543 <v:imagedata src="SequentialTutorial_files/image003.png" o:title=""/>
1544 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1545</v:shape><![endif]--><![if !vml]><img width=284 height=119
1546src="SequentialTutorial_files/image032.jpg" align=right hspace=12 v:shapes="Picture_x0020_21"><![endif]><span
1547style='mso-spacerun:yes'> </span>Read in the ~7 K dataset (<b style='mso-bidi-font-weight:
1548normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1549major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>) using <b><span
1550style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1551mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
1552to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
1553“</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1554major-latin;mso-hansi-theme-font:major-latin'>zip archive</span>” </b><span
1555style='mso-bidi-font-weight:bold'>and the<b> </b></span><b><span
1556style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1557mso-hansi-theme-font:major-latin'>SeqTut.zip</span> </b><span style='mso-bidi-font-weight:
1558bold'>file<b>. </b>Select file<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1559mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b>
1560(use of the filter can again be helpful) and <span style='mso-bidi-font-weight:
1561bold'>press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1562mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.
1563</p>
1564
1565<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
1566  id="Picture_x0020_3" o:spid="_x0000_s1044" type="#_x0000_t75" style='position:absolute;
1567  left:0;text-align:left;margin-left:36pt;margin-top:0;width:161.7pt;height:157.3pt;
1568  z-index:251676672;visibility:visible;mso-wrap-style:square;
1569  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1570  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1571  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
1572  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
1573  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
1574  mso-width-relative:page;mso-height-relative:page'>
1575  <v:imagedata src="SequentialTutorial_files/image005.png" o:title=""/>
1576  <w:wrap type="topAndBottom"/>
1577 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
1578 <table cellpadding=0 cellspacing=0>
1579  <tr>
1580   <td width=48 height=0></td>
1581  </tr>
1582  <tr>
1583   <td></td>
1584   <td><img width=216 height=210 src="SequentialTutorial_files/image042.png"
1585   v:shapes="Picture_x0020_3"></td>
1586  </tr>
1587 </table>
1588 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
1589style='mso-ignore:vglayout' clear=ALL>
1590You will be shown the first few lines from the file. Confirm that the selected
1591file is correct by <span style='mso-bidi-font-weight:bold'>pressing<b> </b></span><b><span
1592style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1593mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
1594
1595<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1596mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_1" o:spid="_x0000_i1057"
1597 type="#_x0000_t75" style='width:237.75pt;height:125.25pt;visibility:visible;
1598 mso-wrap-style:square'>
1599 <v:imagedata src="SequentialTutorial_files/image007.png" o:title=""/>
1600</v:shape><![endif]--><![if !vml]><img width=317 height=167
1601src="SequentialTutorial_files/image051.png" v:shapes="Picture_x0020_1"><![endif]></span></p>
1602
1603<p class=MsoListParagraphCxSpMiddle>Note that the instrument parameter file
1604with the matching name (<b style='mso-bidi-font-weight:normal'><span
1605style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1606mso-hansi-theme-font:major-latin'>OH_00.prm</span></b>) is read automatically. </p>
1607
1608<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1609
1610<a name="step1-5"></a>
1611<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1612style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
1613style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Map
1614the phases to the data: After reading in the dataset, a window used to select
1615phases is shown. <span style='mso-bidi-font-weight:bold'>Select both phases and
1616press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1617mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span>.</b><span
1618style='mso-spacerun:yes'>  </span></p>
1619
1620<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1621mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2" o:spid="_x0000_i1056"
1622 type="#_x0000_t75" style='width:176.25pt;height:146.25pt;visibility:visible;
1623 mso-wrap-style:square'>
1624 <v:imagedata src="SequentialTutorial_files/image009.png" o:title=""/>
1625</v:shape><![endif]--><![if !vml]><img width=235 height=195
1626src="SequentialTutorial_files/image055.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
1627
1628<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1629
1630<a name="constraint"></a>
1631<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1632style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
1633style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
1634 id="Picture_x0020_4" o:spid="_x0000_s1043" type="#_x0000_t75" style='position:absolute;
1635 left:0;text-align:left;margin-left:199.05pt;margin-top:0;width:250.25pt;
1636 height:127.15pt;z-index:251677696;visibility:visible;mso-wrap-style:square;
1637 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1638 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1639 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1640 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1641 mso-position-vertical-relative:margin;mso-width-percent:0;
1642 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1643 <v:imagedata src="SequentialTutorial_files/image011.png" o:title=""/>
1644 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1645</v:shape><![endif]--><![if !vml]><img width=334 height=170
1646src="SequentialTutorial_files/image057.png" align=right hspace=12 v:shapes="Picture_x0020_4"><![endif]>We
1647want to fit the lattice parameters, background, and a phase fraction
1648initially.<span style='mso-spacerun:yes'>  </span>To illustrate how constraints
1649are used, we will refine both phase fractions, but constrain their sum to be
1650one. (A simpler alternate approach would be to refine only a single
1651phase fraction.)
1652To set up the constraint, <span style='mso-bidi-font-weight:bold'>click on
1653the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1654major-latin;mso-hansi-theme-font:major-latin'>Constraints</span> </b><span
1655style='mso-bidi-font-weight:bold'>item</span> in the data tree. Then
1656click on the <b>Histogram/Phase</b> tab in the data editing
1657window. Then in the <b><span
1658style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1659mso-hansi-theme-font:major-latin'>Edit Constr.</span> </b><span
1660style='mso-bidi-font-weight:bold'>menu<span style='mso-spacerun:yes'> 
1661<span style='mso-bidi-font-weight:bold'>click on
1662the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1663major-latin;mso-hansi-theme-font:major-latin'>Edit Constr/Add
1664constraint equation</span></b><span style='mso-bidi-font-weight:
1665bold'> menu item<b>.</b></span></p>
1666
1667<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1668mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" o:spid="_x0000_i1055"
1669 type="#_x0000_t75" style='width:78pt;height:54pt;visibility:visible;
1670 mso-wrap-style:square'>
1671 <v:imagedata src="SequentialTutorial_files/image013.png" o:title=""/>
1672</v:shape><![endif]--><![if !vml]><img width=104 height=72
1673src="SequentialTutorial_files/image099.jpg" v:shapes="Picture_x0020_5"><![endif]></span><span
1674style='mso-spacerun:yes'> </span></p>
1675
1676<p class=MsoListParagraphCxSpMiddle>In the next window use a <b
1677style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1678mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Filter</span></b>
1679of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1680mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>scale</span></b>
1681to make the list shorter and then <span style='mso-bidi-font-weight:bold'>select
1682the phase fraction for the first phase<b> </b></span><b><span style='font-family:
1683"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1684major-latin'>0:0:Scale</span></b> (the second one, <b style='mso-bidi-font-weight:
1685normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1686major-latin;mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><span
1687style='font-family:Courier'>,</span> would work too) </p>
1688
1689<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1690mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8" o:spid="_x0000_i1054"
1691 type="#_x0000_t75" style='width:327.75pt;height:129pt;visibility:visible;
1692 mso-wrap-style:square'>
1693 <v:imagedata src="SequentialTutorial_files/image015.png" o:title=""/>
1694</v:shape><![endif]--><![if !vml]><img width=437 height=172
1695src="SequentialTutorial_files/image101.png" v:shapes="Picture_x0020_8"><![endif]></span><span
1696style='mso-spacerun:yes'> </span></p>
1697
1698<p class=MsoListParagraphCxSpMiddle>In the next window, either <span
1699style='mso-bidi-font-weight:bold'>select the other phase fraction<b> (</b></span><b><span
1700style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1701mso-hansi-theme-font:major-latin'>1:0:Scale</span></b><b><span
1702style='font-family:Courier'>)</span></b><span style='font-family:"Cambria",serif;
1703mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> or select
1704all phases (</span><b style='mso-bidi-font-weight:normal'><span
1705style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1706mso-hansi-theme-font:major-latin'>all:0:Scale</span></b><span style='font-family:
1707"Cambria",serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>)<o:p></o:p></span></p>
1708
1709<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1710mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1053"
1711 type="#_x0000_t75" style='width:338.25pt;height:129.75pt;visibility:visible;
1712 mso-wrap-style:square'>
1713 <v:imagedata src="SequentialTutorial_files/image017.png" o:title=""/>
1714</v:shape><![endif]--><![if !vml]><img width=451 height=173
1715src="SequentialTutorial_files/image106.png" v:shapes="Picture_x0020_10"><![endif]></span><span
1716style='font-family:"Cambria",serif'><o:p></o:p></span></p>
1717
1718<p class=MsoListParagraphCxSpMiddle>This creates the desired constraint, which
1719forces the sum to be 1. (If the desired sum was different or different
1720multipliers were desired, press the <b style='mso-bidi-font-weight:normal'><span
1721style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1722mso-hansi-theme-font:major-latin'>Edit</span></b> button for the constraint.) </p>
1723
1724<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1725mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11" o:spid="_x0000_i1052"
1726 type="#_x0000_t75" style='width:254.25pt;height:129pt;visibility:visible;
1727 mso-wrap-style:square'>
1728 <v:imagedata src="SequentialTutorial_files/image019.png" o:title=""/>
1729</v:shape><![endif]--><![if !vml]><img width=339 height=172
1730src="SequentialTutorial_files/image107.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
1731
1732<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1733
1734<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1735style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
1736style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
1737we select the variables to refine. </p>
1738
1739<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1740
1741<p class=MsoListParagraphCxSpFirst><span style='mso-bidi-font-weight:bold'>Select
1742the first phase</span> (<b style='mso-bidi-font-weight:normal'><span
1743style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1744mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) <span style='mso-bidi-font-weight:
1745bold'>, which should open the General Tab. Click on the </span><b><span style='font-family:"Calibri",sans-serif;
1746mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
1747cell</span></b><span style='mso-bidi-font-weight:bold'> option</span>
1748(If the phases are not shown, click on the triangle to the left of
1749the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1750mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase</span></b>
1751entry to “open” the tree item). We also want to refine the phase fraction for
1752this phase, so <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1753style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1754mso-hansi-theme-font:major-latin'>Data</span> </b><span style='mso-bidi-font-weight:
1755bold'>tab and click
1756on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1757mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Phase
1758fraction</span> </b><span style='mso-bidi-font-weight:bold'>box</span> to cause
1759that to be refined.<span style='mso-spacerun:yes'>  </span></p>
1760
1761<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
1762mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" o:spid="_x0000_i1051"
1763 type="#_x0000_t75" style='width:260.25pt;height:120pt;visibility:visible;
1764 mso-wrap-style:square'>
1765 <v:imagedata src="SequentialTutorial_files/image021.png" o:title=""/>
1766</v:shape><![endif]--><![if !vml]><img width=347
1767src="SequentialTutorial_files/image108.jpg" v:shapes="Picture_x0020_7"><![endif]></span></p>
1768
1769<p class=MsoListParagraphCxSpMiddle>Repeat this with the second phase (<b
1770style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1771mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>),
1772by <span style='mso-bidi-font-weight:bold'>selecting it</span> in the data
1773tree. Then <span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1774style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1775mso-hansi-theme-font:major-latin'>General</span> </b><span style='mso-bidi-font-weight:
1776bold'>tab</span> and on <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1777style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1778mso-hansi-theme-font:major-latin'>Refine unit cell</span></b> option. We also
1779want to refine the phase fraction for this phase, so <span style='mso-bidi-font-weight:
1780bold'>select the </span><b><span style='font-family:"Calibri",sans-serif;
1781mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
1782style='mso-bidi-font-weight:bold'>tab and click on the<b> </b></span><b><span
1783style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1784mso-hansi-theme-font:major-latin'>Phase fraction</span> </b><span
1785style='mso-bidi-font-weight:bold'>box</span> to cause that to be refined.
1786
1787<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1788
1789<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_14"
1790 o:spid="_x0000_s1042" type="#_x0000_t75" style='position:absolute;left:0;
1791 text-align:left;margin-left:208.5pt;margin-top:891.2pt;width:259.7pt;height:92.55pt;
1792 z-index:251678720;visibility:visible;mso-wrap-style:square;
1793 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1794 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1795 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1796 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
1797 mso-position-vertical-relative:margin;mso-width-percent:0;
1798 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1799 <v:imagedata src="SequentialTutorial_files/image023.png" o:title=""/>
1800 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1801</v:shape><![endif]--><![if !vml]><img width=346 height=123
1802src="SequentialTutorial_files/image109.png" align=right hspace=12 v:shapes="Picture_x0020_14"><![endif]>Also
1803<span style='mso-bidi-font-weight:bold'>select<b> </b>the<b> </b></span><b><span
1804style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1805mso-hansi-theme-font:major-latin'>Background</span> </b><span style='mso-bidi-font-weight:
1806bold'>entry</span> under <b style='mso-bidi-font-weight:normal'><span
1807style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1808mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> in the
1809GSAS-II data tree (again if this is not shown, click on the triangle to
1810the left of the histogram entry to “open” the tree item.) Confirm that <b
1811style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1812mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background
1813function</span></b> should already be set as <b style='mso-bidi-font-weight:
1814normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1815major-latin;mso-hansi-theme-font:major-latin'>chebyshev</span></b> and the <b
1816style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1817mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine</span></b>
1818flag should be checked. <span style='mso-bidi-font-weight:bold'>Change the<b> </b></span><b><span
1819style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1820mso-hansi-theme-font:major-latin'>No. coeff</span>. </b><span style='mso-bidi-font-weight:
1821bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1822mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>6</span></b>
1823to introduce more background terms. </p>
1824
1825<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1826
1827<p class=MsoListParagraphCxSpMiddle>The histogram scale factor, on the <b
1828style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1829mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
1830Parameters</span></b> entry should already be set as refined by default, but
1831you may want to confirm this.</p>
1832
1833<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1834
1835<p class=MsoListParagraphCxSpMiddle>Finally, note that the first broad peak in
1836these data is spurious. It is known to arise from the kapton window in the
1837cryostat used for sample cooling; this was confirmed by collecting data without
1838a sample. We could model this peak, but it is easier to simply drop the data
1839below the first peak at ~5 degrees. To do this<b style='mso-bidi-font-weight:
1840normal'>, </b><span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
1841style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1842mso-hansi-theme-font:major-latin'>Limits</span> </b><span style='mso-bidi-font-weight:
1843bold'>entry</span> for histogram <b style='mso-bidi-font-weight:normal'><span
1844style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1845mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and in the <b
1846style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1847mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>New
1848Tmin</span></b>
1849box (to lower left) <span style='mso-bidi-font-weight:bold'>change it to </span><b><span
1850style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1851mso-hansi-theme-font:major-latin'>4.5</span>.</b>
1852
1853<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1854
1855<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'>
18568. Optional:
1857confirm that the initial parameters have been selected correctly for refinement
1858using <span style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span
1859style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1860mso-hansi-theme-font:major-latin'>Calculate/View LS parms</span> </b><span
1861style='mso-bidi-font-weight:bold'>menu item</span> for the main GSAS-II data
1862ttree window. There will be 15 refined parameters: <span style='font-family:
1863Courier'>0::A</span>x (x=0,1,2) and <span style='font-family:Courier'>1::A</span>x
1864(x=0,1,2,4), the reciprocal lattice metric terms for each phase; <span
1865style='font-family:Courier'>:0:Scale</span>, the histogram scale factor, <span
1866style='font-family:Courier'>:0:Back:</span>x (x=0-5), the six background
1867coefficients and <span style='font-family:Courier'>::constr0</span> which is
1868generated from the constraints. The phase factors, x<span style='font-family:
1869Courier'>:0:Scale</span> (x=1,2) are shown as constrained. </p>
1870
1871<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1872
1873<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>9.<span
1875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
1876style='mso-bidi-font-weight:bold'>Use the </span><b><span style='font-family:
1877"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1878major-latin'>Calculate/Refine</span></b><span style='mso-bidi-font-weight:bold'>
1879main GSAS-II menu item</span> to initiate the refinement. Since the project has
1880not been saved, you will be asked to select a name (and optionally a directory)
1881for the GSAS-II project (.gpx) file.<span style='mso-spacerun:yes'>  </span>The
1882file name <span style='font-family:Courier'>SeqTut.gpx</span> is assumed here.
1883The refinement progresses quickly to a wR of ~17%. </p>
1884
1885<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1886
1887<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
1888style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>10.<span
1889style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>There
1890are several additional variables that should now be added. One should always
1891refine a sample displacement parameter or a zero correction. In
1892most cases with Debye-Scherrer geometry, the best choice is to <span style='mso-bidi-font-weight:bold'>add
1893the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1894major-latin;mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
1895style='mso-bidi-font-weight:bold'>parameter</span> on the <b style='mso-bidi-font-weight:
1896normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1897major-latin;mso-hansi-theme-font:major-latin'>Sample Parameters</span></b>
1898section of histogram <b style='mso-bidi-font-weight:normal'><span
1899style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1900mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b>. (NB: a
1901data range &gt;&gt;90 degrees is needed before the Sample Y displ. term can be
1902included). Note that since this instrument is very well characterized, there is
1903no need to refine any of the instrumental terms. </p>
1904
1905<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1906
1907<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_13"
1908 o:spid="_x0000_s1040" type="#_x0000_t75" style='position:absolute;left:0;
1909 text-align:left;margin-left:230.4pt;margin-top:0;width:281.6pt;height:130.65pt;
1910 z-index:251666432;visibility:visible;mso-wrap-style:square;
1911 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1912 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1913 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1914 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1915 mso-position-vertical-relative:margin;mso-width-percent:0;
1916 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1917 <v:imagedata src="SequentialTutorial_files/image027.png" o:title=""/>
1918 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1919</v:shape><![endif]--><![if !vml]><img width=375 height=174
1920src="SequentialTutorial_files/image111.png" align=right hspace=12 v:shapes="Picture_x0020_13"><![endif]><span
1921style='mso-fareast-language:EN-US;mso-no-proof:yes'>Selecting</span><b> </b><span
1922style='mso-bidi-font-weight:bold'>the<b> </b></span><b><span style='font-family:
1923"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1924major-latin'>PWDR OH_00.fxye Bank 1</span> </b><span style='mso-bidi-font-weight:
1925bold'>entry</span> shows the “Rietveld plot” and zooming in on different
1926regions of the pattern provides insight on how the fit could be improved. You can
1927alter the view to show the square root of the intensity (use the ‘<b
1928style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1929mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>S</span></b>’
1930key to toggle this). The background is not well fit in the low angle range and
1931examination shows a “hump” of low-angle scattering from ~4.5 to 6 degrees. This
1932is more easily fit by adding a background peak than extra terms to the
1933background function. <span style='mso-bidi-font-weight:bold'>Select the<b> </b></span><b><span
1934style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1935mso-hansi-theme-font:major-latin'>Background </span></b><span style='mso-bidi-font-weight:
1936bold'>item</span> in histogram <b style='mso-bidi-font-weight:normal'><span
1937style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1938mso-hansi-theme-font:major-latin'>PWDR OH_00.fxye Bank 1</span></b> and <span
1939style='mso-bidi-font-weight:bold'>change </span><b><span style='font-family:
1940"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
1941major-latin'>Peaks in Background</span> </b><span style='mso-bidi-font-weight:
1942bold'>to<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
1943mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1</span>.</b><span
1944style='mso-spacerun:yes'>  </span><span style='mso-bidi-font-weight:bold'>Change
1945the<b> </b>peak position</span> (<b style='mso-bidi-font-weight:normal'><span
1946style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1947mso-hansi-theme-font:major-latin'>pos</span></b>) to the approximate peak
1948center (<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1949mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>5.25</span></b>
1950degrees) and <span style='mso-bidi-font-weight:bold'>set the intensity (</span><b><span
1951style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1952mso-hansi-theme-font:major-latin'>int</span></b><span style='mso-bidi-font-weight:
1953bold'>) and Gaussian width<b> </b>(</span><b><span style='font-family:"Calibri",sans-serif;
1954mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>sig</span></b><span
1955style='mso-bidi-font-weight:bold'>) to be refined</span>.
1956
1957<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1958
1959<p class=MsoListParagraphCxSpMiddle>Once the fit has been improved we can then
1960add the position of this peak to the fit. </p>
1961
1962<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1963
1964<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_16"
1965 o:spid="_x0000_s1039" type="#_x0000_t75" style='position:absolute;left:0;
1966 text-align:left;margin-left:211.1pt;margin-top:0;width:262.3pt;height:253.7pt;
1967 z-index:251680768;visibility:visible;mso-wrap-style:square;
1968 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
1969 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
1970 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
1971 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
1972 mso-position-vertical-relative:margin;mso-width-percent:0;
1973 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
1974 <v:imagedata src="SequentialTutorial_files/image029.png" o:title=""/>
1975 <w:wrap type="square" anchorx="margin" anchory="margin"/>
1976</v:shape><![endif]--><![if !vml]><img width=350 height=338
1977src="SequentialTutorial_files/image112.png" align=right hspace=12 v:shapes="Picture_x0020_16"><![endif]>While
1978in other projects I might postpone this until later, we can also start on
1979improving the peak fit. We will do this by varying the sample broadening for
1980the major phase (since the instrumental terms are very good.) <span
1981style='mso-bidi-font-weight:bold'>Select the first phase (</span><b><span
1982style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
1983mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span style='mso-bidi-font-weight:
1984bold'>)</span> and its <b><span style='font-family:"Calibri",sans-serif;
1985mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span> </b><span
1986style='mso-bidi-font-weight:bold'>tab</span>, <span style='mso-bidi-font-weight:
1987bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
1988mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>size</span></b><span
1989style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
1990mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b><span
1991style='mso-bidi-font-weight:bold'> parameters</span> to add them to the
1992fit.<span style='mso-spacerun:yes'>  </span></p>
1993
1994<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
1995
1996<p class=MsoListParagraphCxSpMiddle>There are now 20 refined parameters and a
1997repeat of the fitting (Use the Calculate/Refine menu item) causes the fit to
1998improve to a wR of &lt;16%.</p>
1999
2000<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2001
2002<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'><![if !supportLists]><span
2003style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>11.<span
2004style='font:7.0pt "Times New Roman"'>&nbsp; </span></span></span><![endif]>We
2005can now <span style='mso-bidi-font-weight:bold'>include the position flag (</span><b><span
2006style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2007mso-hansi-theme-font:major-latin'>pos/refine</span></b><span style='mso-bidi-font-weight:
2008bold'>) for the background peak</span> in the refinement. Do this at the <b
2009style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2010mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Background</span></b>
2011item, as before.</p>
2012
2013<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2014
2015<p class=MsoListParagraphCxSpMiddle>Close examination of the pattern shows that
2016the peak widths are still not as well fit as desired. Since strain broadening
2017seems more significant that sample broadening, we could use an anisotropic
2018strain model. Rather than choosing the relatively complex generalized model, we
2019can introduce only two terms with the uniaxial model.<span
2020style='mso-spacerun:yes'>  </span>Trial and error will show that the 010
2021direction works best. Click on the first phase (<b style='mso-bidi-font-weight:
2022normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2023major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>) and <b
2024style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2025mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2026tab and <span style='mso-bidi-font-weight:bold'>select<b> </b></span><b><span
2027style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2028mso-hansi-theme-font:major-latin'>uniaxial</span></b> for the <b
2029style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2030mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Mustrain
2031model</span></b> and <span style='mso-bidi-font-weight:bold'>use<b> </b></span><b><span
2032style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2033mso-hansi-theme-font:major-latin'>0 1 0</span> </b><span style='mso-bidi-font-weight:
2034bold'>for the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2035mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Unique axis</span></b><b
2036style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2037mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>, HKL</span></b>
2038. <span style='mso-bidi-font-weight:bold'>Select refinement for both </span><b><span
2039style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2040mso-hansi-theme-font:major-latin'>Equatorial</span></b><span style='mso-bidi-font-weight:
2041bold'> and </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2042major-latin;mso-hansi-theme-font:major-latin'>Axial mustrain</span>.</b> </p>
2043
2044<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2045
2046<p class=MsoListParagraphCxSpMiddle>
2047Likewise, introduce a peak broadening parameter for the second phase
2048by clicking on <B>CuO</B> in the data tree and
2049<span style='mso-bidi-font-weight:bold'>click
2050on the single<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2051mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>microstrain</span></b>
2052(isotropic) term for this second phase.</p>
2053
2054<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2055
2056<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo4'>
205712. Repeating the refinement causes the wR to
2058drop to ~14%. Clicking on the <b style='mso-bidi-font-weight:normal'><span
2059style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2060mso-hansi-theme-font:major-latin'>Covariance</span></b> data tree item shows
2061that the goodness of fit (GOF) is around 1.1 (corresponding to a reduced <b
2062style='mso-bidi-font-weight:normal'><span style='font-family:"Lucida Grande";
2063color:black'>&#967;</span></b><sup>2</sup> <1.2) with 23 refined parameters.
2064While atomic parameters could now be refined, we are already have a good
2065enough fit to start a refinement with all the datasets,
2066as the plot clearly shows. </p>
2067
2068<p class=MsoListParagraphCxSpLast><span style='mso-fareast-language:EN-US;
2069mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_15" o:spid="_x0000_i1050"
2070 type="#_x0000_t75" style='width:339.75pt;height:255pt;visibility:visible;
2071 mso-wrap-style:square'>
2072 <v:imagedata src="SequentialTutorial_files/image031.png" o:title=""/>
2073</v:shape><![endif]--><![if !vml]><img width=453 height=340
2074src="SequentialTutorial_files/image113.jpg" v:shapes="Picture_x0020_15"><![endif]></span></p>
2075
2076<h1>Step 2: Prepare for sequential fit. </h1>
2077
2078<p class=MsoListParagraph><o:p>&nbsp;</o:p></p>
2079
2080<p class=MsoNormal>There is one significant difference between fitting a
2081sequence of datasets versus fitting a single data set. This is in the
2082way that lattice constants are fit.
2083In GSAS-II the lattice constants for each phase are determined from
2084reciprocal metric tensor terms,
2085(which are labeled <tt>&lt;p&gt;::Axx</tt> where
2086<tt>&lt;p&gt;</tt> is phase number
2087and the <tt>xx</tt> value(s)
2088depend on the unit cell symmetry) which are added to Hydrostatic/Elastic strain terms
2089(labeled <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt>, as above but
2090<tt>&lt;h&gt;</tt> is the histogram number). Note that there is only
2091one set of <tt>&lt;p&gt;::Axx</tt> terms for each phase, but there is
2092a set of <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> for each phase <I>and
2093histogram</I>. Since in most cases in a sequential refinement, one
2094wants to have differing lattice constants for each histogram,
2095refinement of the <tt>&lt;p&gt;::Axx</tt> terms  in a sequential
2096refinement is reported as an error. </p>
2097<p class=MsoListParagraph><o:p>&nbsp;</o:p></p>
2098
2099<p class=MsoNormal>
2100Note that the <tt>&lt;p&gt;::Axx</tt> are controlled by the "Refine
2101unit cell" option on the Phase/General tab, while the
2102<tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> are listed on the Phase/Data tab,
2103along with all the other parameters where there are values for each
2104histogram and phase.
2105
2106Note that in a sequential fit, there is only one set of l
2107(for which there will be only one set for each phase in the
2108entire refinement), we will use the Hydrostatic/Elastic strain terms
2109(parameters labeled <tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> where
2110<tt>&lt;p&gt;</tt> is phase number and
2111<tt>&lt;h&gt;</tt> is histogram number and the <tt>xx</tt>value(s)
2112depend on the unit cell symmetry) to treat the change in lattice parameters.
2113These items describe the change in lattice parameters and appear in the Phase
2114Data tab, where there is a set for each histogram assigned to the
2115phase.</p>
2116
2117<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2118
2119<p class=MsoNormal>We
2120will make a switch from refining <tt>&lt;p&gt;::Axx</tt> terms to
2121<tt>&lt;p&gt;:&lt;h&gt;:Dxx</tt> terms for the current dataset,
2122in preparation for the sequential refinement with all datasets.
2123Also at this point we will temporarily remove variables that
2124could make the fit diverge as the lattice constants shift. As an example, when
2125initially fitting a model with peaks that overlap with the observed peaks, but
2126not very well, the fit might be improved by a change in the phase fractions
2127(which might eliminate our impurity CuO phase) or make peaks quite a bit broader
2128than appropriate, these changes could result in a model that
2129is less correct than the starting point but still be a local LS
2130minimum. After such a change the best-fitting model may never be
2131found. Accordingly, we will turn off
2132refinement of all parameters except those that determine peak positions (the
2133Dxx terms) and the overall scale factor. We will also include
2134refinement of the background terms
2135since they are unlikely to affect convergence. </p>
2136
2137<p class=MsoNormal><span style='mso-spacerun:yes'> </span></p>
2138
2139<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2140style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2141style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2142style='mso-bidi-font-weight:bold'>Select the first phase<b> (</b></span><b><span
2143style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2144mso-hansi-theme-font:major-latin'>CuCr2O4</span>) </b><span style='mso-bidi-font-weight:
2145bold'>and on the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2146mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>General</span>
2147</b><span style='mso-bidi-font-weight:bold'>tab</span>, click on the <b
2148style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2149mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Refine unit
2150cell</span></b> option to <span style='mso-bidi-font-weight:bold'>turn off
2151refinement</span>. </p>
2152
2153<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
2154style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2155 id="Picture_x0020_9" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:404.25pt;
2156 height:86.25pt;visibility:visible;mso-wrap-style:square'>
2157 <v:imagedata src="SequentialTutorial_files/image033.png" o:title=""/>
2158</v:shape><![endif]--><![if !vml]><img width=539 height=115
2159src="SequentialTutorial_files/image114.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
2160
2161<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2162
2163<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2164style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2165style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
2166the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2167mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data
2168tab</span></b>, click on the <b><span
2169style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2170mso-hansi-theme-font:major-latin'>D11, D22</span></b><span
2171style='mso-bidi-font-weight:bold'> and </span><b><span style='font-family:"Calibri",sans-serif;
2172mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D33</span></b><span
2173style='mso-bidi-font-weight:bold'> terms</span> to refine the lattice strain
2174terms. While here, to simplify convergence for the sequential refinement, where
2175lattice constants change significantly, <span style='mso-bidi-font-weight:bold'>turn
2176off the refinement of the three peak width terms and the phase fraction</span>.
2177The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2178mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b>
2179window will appear similar to what is below:</p>
2180
2181<p class=MsoListParagraphCxSpMiddle>
2182<img width=353
2183src="SequentialTutorial_files/image115.png" v:shapes="Picture_x0020_72"></p>
2184
2185<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2186
2187<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2188style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2189style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2190style='mso-bidi-font-weight:bold'>Click on the second phase</span> (<b
2191style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2192mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuO</span></b>)
2193and on the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2194major-latin;mso-hansi-theme-font:major-latin'>General</span></b><span
2195style='mso-bidi-font-weight:bold'> tab</span>, click on the <b><span
2196style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2197mso-hansi-theme-font:major-latin'>Refine unit cell</span></b><span
2198style='mso-bidi-font-weight:bold'> option</span> to turn off refinement. </p>
2199
2200<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2201
2202<p class=MsoListParagraphCxSpMiddle>On the <b><span style='font-family:"Calibri",sans-serif;
2203mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2204style='mso-bidi-font-weight:bold'> tab</span> for CuO, <span style='mso-bidi-font-weight:
2205bold'>click on the </span><b><span style='font-family:"Calibri",sans-serif;
2206mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D11</span></b><span
2207style='mso-bidi-font-weight:bold'>, </span><b><span style='font-family:"Calibri",sans-serif;
2208mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D22</span></b><span
2209style='mso-bidi-font-weight:bold'>, and </span><b><span style='font-family:
2210"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2211major-latin'>D33</span></b><span style='mso-bidi-font-weight:bold'> terms</span>
2212to refine the lattice strain terms and <span style='mso-bidi-font-weight:bold'>turn
2213off refinement of the phase fraction</span>.<span style='mso-spacerun:yes'> 
2214</span>We could refine the <b style='mso-bidi-font-weight:normal'><span
2215style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2216mso-hansi-theme-font:major-latin'>D13</span></b> term (which corresponds to the
2217CuO &#946;* angle). However, due to the small number of the small number of CuO
2218peaks that are in the pattern, the refinement to be relatively
2219insensitive to this parameter and convergence will be more rapid if
2220this is added to the refinement later.</p>
2221
2222<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2223
2224<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo6'><![if !supportLists]><span
2225style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2226style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2227</span></span></span><![endif]>To also simplify the refinement
2228at this stage, <span style='mso-bidi-font-weight:bold'>turn off the all the
2229background refinement terms</span> by clicking on <b style='mso-bidi-font-weight:
2230normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2231major-latin;mso-hansi-theme-font:major-latin'>Background</span></b> on the
2232histogram tree item and removing checks the four items that are
2233refined (overall terms and peak intensity, position and sig.)</p>
2234
2235<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2236
2237<p class=MsoListParagraphCxSpMiddle>Likewise, for the histogram Sample
2238Parameters, <span style='mso-bidi-font-weight:bold'>turn off the<b> </b></span><b><span
2239style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2240mso-hansi-theme-font:major-latin'>Sample X displ.</span> </b><span
2241style='mso-bidi-font-weight:bold'>parameter</span> by clicking on the <b
2242style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2243mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2244Parameters</span></b> item in the histogram entries.</p>
2245
2246<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2247
2248<p class=MsoListParagraphCxSpLast
2249style='text-indent:-.25in;mso-list:l7 level1 lfo6'>
2250Optional: One
2251can confirm that the number of parameters is now 7 (3 Dxx terms for phase 1, 3
2252Dxx terms for phase 2 and a scale factor.)
2253Also, while it is not necessary, as a test it is possible to repeat
2254the refinement. If this is done, the Dxx values will refine to values
2255very close to zero (within the refinement uncertainties) indicating that the lattice parameters were
2256already optimal and the quality of the fit (noted by wR or GOF) will
2257be largely unchanged.
2258</p>
2259
2260<h1>Step 3: Import the remaining datasets
2261histograms.</h1>
2262
2263<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2264
2265<p class=MsoNormal>In this step we bring in the remaining data and
2266ensure that the two phases are linked to each new histogram.
2267</p>
2268
2269<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2270
2271<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span
2272style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2273style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2274 id="Picture_x0020_17" o:spid="_x0000_s1037" type="#_x0000_t75" style='position:absolute;
2275 left:0;text-align:left;margin-left:109.05pt;margin-top:576.2pt;width:160.25pt;
2276 height:156.85pt;z-index:251681792;visibility:visible;mso-wrap-style:square;
2277 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2278 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2279 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2280 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2281 mso-position-vertical-relative:margin;mso-width-percent:0;
2282 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2283 <v:imagedata src="SequentialTutorial_files/image043.png" o:title="" croptop="3745f"
2284  cropbottom="9062f" cropleft="6179f" cropright="6822f"/>
2285 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2286</v:shape><![endif]--><![if !vml]><img width=214 height=209
2287src="SequentialTutorial_files/image119.png" align=right hspace=12 v:shapes="Picture_x0020_17"><![endif]>The
2288remaining datasets are read <span style='mso-bidi-font-weight:bold'>using<b> </b></span><b><span
2289style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2290mso-hansi-theme-font:major-latin'>Import/Powder Data/from GSAS powder data file</span></b>
2291to open a file browser. Again <span style='mso-bidi-font-weight:bold'>select<b>
2292</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2293major-latin;mso-hansi-theme-font:major-latin'>zip archive</span> </b><span
2294style='mso-bidi-font-weight:bold'>and the downloaded<b> </b></span><b><span
2295style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2296mso-hansi-theme-font:major-latin'>SeqTut.zip</span></b> file. <span
2297style='mso-bidi-font-weight:bold'>Select all the .</span><b><span
2298style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2299mso-hansi-theme-font:major-latin'>fxye</span></b><span style='mso-bidi-font-weight:
2300bold'> files</span> except <b style='mso-bidi-font-weight:normal'><span
2301style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2302mso-hansi-theme-font:major-latin'>OH_00.fxye</span></b> (use of the filter can
2303again be helpful to show just the data file; press <b style='mso-bidi-font-weight:
2304normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2305major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b> and then
2306unselect the one unneeded file). </p>
2307
2308<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2309
2310<p class=MsoListParagraphCxSpMiddle>This time one must <span style='mso-bidi-font-weight:
2311bold'>select the instrument parameter file</span>. </p>
2312
2313<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2314mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_i1045"
2315 type="#_x0000_t75" style='width:298.5pt;height:203.25pt;visibility:visible;
2316 mso-wrap-style:square'>
2317 <v:imagedata src="SequentialTutorial_files/image045.png" o:title="" croptop="3160f"
2318  cropbottom="7136f" cropleft="3738f" cropright="3737f"/>
2319</v:shape><![endif]--><![if !vml]><img width=398 height=271
2320src="SequentialTutorial_files/image120.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
2321
2322<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2323
2324<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>Set
2325all data sets to use the two phases</span>, as before in <a href="#step1-5">step 1 #5. </a></p>
2326
2327<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2328
2329<p class=MsoListParagraphCxSpMiddle>Note that the files must be read in in the
2330sequence they will be processed. This is not an issue here, but for some
2331sequential refinements, one may need to use multiple Import operations to read
2332the files in the desired order or rename files so they are listed in the
2333correct order in the file browser. </p>
2334
2335<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2336
2337<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_18"
2338 o:spid="_x0000_s1036" type="#_x0000_t75" style='position:absolute;left:0;
2339 text-align:left;margin-left:105.35pt;margin-top:0;width:156.55pt;height:84.25pt;
2340 z-index:251667456;visibility:visible;mso-wrap-style:square;
2341 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2342 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2343 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2344 mso-position-horizontal-relative:margin;mso-position-vertical:bottom;
2345 mso-position-vertical-relative:margin;mso-width-percent:0;
2346 mso-height-percent:0;mso-width-relative:margin;mso-height-relative:page'>
2347 <v:imagedata src="SequentialTutorial_files/image047.png" o:title=""/>
2348 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2349</v:shape><![endif]--><![if !vml]><img width=209 height=112
2350src="SequentialTutorial_files/image121.png" align=right hspace=12
2351 v:shapes="Picture_x0020_18"><![endif]>
2352<p class=MsoListParagraphCxSpMiddle
2353style='text-indent:-.25in;mso-list:l5 level1 lfo10'>
2354Optional:
2355Note that the default graphics mode is to display the last dataset read
2356in.<span style='mso-spacerun:yes'>  </span>If you want to see the entire
2357ensemble of data sets, click on the main entry for any of the datasets (for example
2358<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2359mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>PWDR
2360OH_00.fxye Bank 1</span></b>), click on the frame of the plot window and press
2361the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2362mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>m</span></b>”
2363key.<span style='mso-spacerun:yes'>  </span>(Alternately, press the “<b
2364style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2365mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2366icon from the list at the bottom of plot, between the “floppy disk” and
2367“question mark” icons and then select “<b style='mso-bidi-font-weight:normal'><span
2368style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2369mso-hansi-theme-font:major-latin'>m: toggle multidata plot</span></b>” from the
2370pop-up window). The ‘<b>u</b>’, ‘<b>d</b>’, ‘<b>r</b>’ and ‘<b>l</b>’
2371keys control the appearance of a ‘‘waterfall plot’’. You can also use
2372 the ‘<b>c</b>’ key to obtain a contour plot of all the data, as below; in this mode
2373 the ‘<b>u</b>’ and ‘<b>d</b>’ keys change the upper level on the
2374 color scale, changing the contrast of the plot.</p>
2375
2376<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2377mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_14" o:spid="_x0000_i1044"
2378 type="#_x0000_t75" style='width:525pt;height:450pt;visibility:visible;
2379 mso-wrap-style:square'>
2380 <v:imagedata src="SequentialTutorial_files/image049.png" o:title=""/>
2381</v:shape><![endif]--><![if !vml]><img width=700 height=600
2382src="SequentialTutorial_files/image049.png" v:shapes="Picture_x0020_14"><![endif]></span></p>
2383
2384<p class=MsoListParagraphCxSpLast>Above, I have used the ‘<b style='mso-bidi-font-weight:
2385normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2386major-latin;mso-hansi-theme-font:major-latin'>d</span></b>’ key to increase the
2387contrast &amp; zoomed in to a an angular location that shows the effect of temperature on
2388the peak positions.</p>
2389
2390<h1>Step 4: Duplicate parameters across histograms and phase/histogram entries.</h1>
2391
2392<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2393
2394<p class=MsoNormal>In this step we make sure that the starting parameters are
2395the same for all histogram as well as the phase/histogram parameters
2396(in the Phase/Data tab).</p>
2397
2398<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2399
2400<p class=MsoListParagraphCxSpMiddle
2401style='text-indent:-.25in;mso-list:l5 level1 lfo10'>
24021. Copy
2403the histogram parameters to be the same in all histograms: In
2404this case we have changed limits and varied background and sample
2405parameter values in the first histogram. We will copy those values to
2406all histograms. Select the original histogram, entry
2407<b>PWDR OH_00.fxye Bank 1</b>
2408and then use the menu command <b><span
2409style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2410mso-hansi-theme-font:major-latin'>Commands/Copy params</span></b>. </p>
2411
2412<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2413
2414<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_20"
2415 o:spid="_x0000_s1034" type="#_x0000_t75" style='position:absolute;left:0;
2416 text-align:left;margin-left:111.35pt;margin-top:45.2pt;width:162.55pt;
2417 height:159.05pt;z-index:251669504;visibility:visible;mso-wrap-style:square;
2418 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2419 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2420 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2421 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2422 mso-position-vertical-relative:margin;mso-width-percent:0;
2423 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2424 <v:imagedata src="SequentialTutorial_files/image052.png" o:title=""/>
2425 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2426</v:shape><![endif]--><![if !vml]><img width=217 height=212
2427src="SequentialTutorial_files/image123.png" align=right hspace=12 v:shapes="Picture_x0020_20"><![endif]>This
2428causes a dialog box where the different histogram parameters sets to be copied are selected. We need to
2429duplicate the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2430"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2431major-latin'>Limits</span></b>, <b style='mso-bidi-font-weight:normal'><span
2432style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2433mso-hansi-theme-font:major-latin'>Background</span></b> and <b
2434style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2435mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sample
2436Parameters</span></b> between all histograms.
2437(Note that the Instrument Parameters
2438have not been changed in this exercise from what was read from the same
2439instrument parameter file so they are already the same, but there is no harm in copying them, so the default
2440entries do not need to be changed.) <span style='mso-bidi-font-weight:bold'>Press<b>
2441</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2442major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>. Note that
2443 this action will only copy the initial values the Sample
2444 Parameters section (including all that can be refined) but will not
2445 change values such as as setting angles, temperature, etc. </p>
2446
2447<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2448
2449<p class=MsoListParagraphCxSpMiddle>An additional dialog window is shown which
2450asks which histograms should receive the parameters. <span style='mso-bidi-font-weight:
2451bold'>Press<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2452mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Set All</span></b><span
2453style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2454mso-hansi-theme-font:major-latin'> </span>to select all remaining histograms
2455and then <span style='mso-bidi-font-weight:bold'>press<b> </b></span><b><span
2456style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2457mso-hansi-theme-font:major-latin'>OK</span>.</b> </p>
2458
2459<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2460
2461<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2462mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_20" o:spid="_x0000_i1043"
2463 type="#_x0000_t75" style='width:161.25pt;height:159pt;visibility:visible;
2464 mso-wrap-style:square'>
2465 <v:imagedata src="SequentialTutorial_files/image054.png" o:title="" croptop="3169f"
2466  cropbottom="8776f" cropleft="6460f" cropright="6263f"/>
2467</v:shape><![endif]--><![if !vml]><img width=215 height=212
2468src="SequentialTutorial_files/image124.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
2469
2470<p class=MsoListParagraphCxSpLast>It can be confirmed that the copy has been performed
2471by examining any of the additional histogram plots (to see the
2472changed lower limit) or looking at Background or Sample Parameter
2473values in the Data Editing window.</p>
2474
2475<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2476
2477<p class=MsoListParagraphCxSpFirst
2478style='text-indent:-.25in;mso-list:l5 level1 lfo10'>2.
2479<span
2480style='mso-bidi-font-weight:bold'>
2481Next we need to copy the Phase/Histogram parameters (in Phase/Data tab)
2482for each phase:
2483Select the first phase</span> (<b
2484style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2485mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b>)
2486and click on its <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2487major-latin;mso-hansi-theme-font:major-latin'>Data</span></b><span
2488style='mso-bidi-font-weight:bold'> tab</span>. When this tab is first
2489pressed, the first histogram linked to this phase (first entry in the
2490list at the upper left) is automatically displayed and the parameters
2491associated with this phase and histogram are displayed. These need to
2492be copied to every other histogram. To do this select the <b><span
2493style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2494mso-hansi-theme-font:major-latin'>Copy data</span></b><span style='mso-bidi-font-weight:
2495bold'> menu item from the </span><b><span style='font-family:"Calibri",sans-serif;
2496mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Edit Phase
2497</span></b>menu. A dialog window then appears to select where to
2498copy the parameters. Select all histograms by pressing the <b>Set
2499All</b> button. Then press the <b>OK</b> button.
2500
2501<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2502
2503<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2504mso-no-proof:yes'>
2505<img width=229 
2506src="SequentialTutorial_files/image126.png"
2507v:shapes="Picture_x0020_23">
2508</p>
2509
2510<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2511
2512<p class=MsoListParagraphCxSpMiddle>It can be verified that the copy took place
2513by clicking on different histograms in the list on the upper left of
2514the Data tab window.</p>
2515
2516<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2517
2518<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo10'><![if !supportLists]><span
2519style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2520style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2521style='mso-bidi-font-weight:bold'>Repeat this copying the
2522Phase/Histogram parameters within the second phase</span> by clicking on it (<b style='mso-bidi-font-weight:normal'><span
2523style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2524mso-hansi-theme-font:major-latin'>CuO</span></b>) in the data tree (and
2525possibly on the <b style='mso-bidi-font-weight:normal'><span style='font-family:
2526"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2527major-latin'>Data</span></b> tab.) Then click on the <b>Edit
2528Phase/Copy data</b> menu item and again select all histograms and
2529press <b>OK</b> as in the last step.</p>
2530
2531<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2532
2533<h1>Step 5: Setup and start the sequential refinement. </h1>
2534
2535<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2536
2537<p class=MsoNormal>At this point we set which histograms will be used in
2538the fit and set option that the resulting parameters from the results of each
2539refinement will be used for the next refinement.</p>
2540
2541<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2542
2543<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2544style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2545style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2546 id="Picture_x0020_24" o:spid="_x0000_s1033" type="#_x0000_t75" style='position:absolute;
2547 left:0;text-align:left;margin-left:111.65pt;margin-top:90.2pt;width:162.85pt;
2548 height:156.85pt;z-index:251682816;visibility:visible;mso-wrap-style:square;
2549 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2550 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2551 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2552 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2553 mso-position-vertical-relative:margin;mso-width-percent:0;
2554 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2555 <v:imagedata src="SequentialTutorial_files/image062.png" o:title="" croptop="4033f"
2556  cropbottom="8773f" cropleft="6179f" cropright="5980f"/>
2557 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2558</v:shape><![endif]--><![if !vml]><img width=217 height=209
2559src="SequentialTutorial_files/image128.png" align=right hspace=12 v:shapes="Picture_x0020_24"><![endif]>First,
2560<span style='mso-bidi-font-weight:bold'>select the<b> </b></span><b><span
2561style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2562mso-hansi-theme-font:major-latin'>Controls</span> </b><span style='mso-bidi-font-weight:
2563bold'>item</span> in the data tree and press the <b><span style='font-family:
2564"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2565major-latin'>Select data</span> </b><span style='mso-bidi-font-weight:bold'>button</span>.
2566</p>
2567
2568<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2569mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_25" o:spid="_x0000_i1039"
2570 type="#_x0000_t75" style='width:267pt;height:84.75pt;visibility:visible;
2571 mso-wrap-style:square'>
2572 <v:imagedata src="SequentialTutorial_files/image064.png" o:title=""/>
2573</v:shape><![endif]--><![if !vml]><img width=356 height=113
2574src="SequentialTutorial_files/image129.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
2575
2576<p class=MsoListParagraphCxSpMiddle>This opens a window where all histograms can
2577be selected (it would be equally valid to skip the first histogram, since that
2578has already been fully fit). <span style='mso-bidi-font-weight:bold'>Press<b> </b></span><b><span
2579style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2580mso-hansi-theme-font:major-latin'>OK</span></b> and note that the <b
2581style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2582mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Controls</span></b>
2583window now lists the number of datasets in the sequential refinement and two
2584new controls. </p>
2585
2586<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2587
2588<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2589style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2590style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2591 id="Picture_x0020_34" o:spid="_x0000_s1032" type="#_x0000_t75" style='position:absolute;
2592 left:0;text-align:left;margin-left:218.8pt;margin-top:225.2pt;width:270pt;
2593 height:95.75pt;z-index:251683840;visibility:visible;mso-wrap-style:square;
2594 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2595 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2596 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2597 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2598 mso-position-vertical-relative:margin;mso-width-percent:0;
2599 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2600 <v:imagedata src="SequentialTutorial_files/image066.png" o:title="" croptop="5426f"
2601  cropbottom="12546f" cropleft="3993f" cropright="3707f"/>
2602 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2603</v:shape><![endif]--><![if !vml]><img width=360 height=128
2604src="SequentialTutorial_files/image130.png" align=right hspace=12 v:shapes="Picture_x0020_34"><![endif]><span
2605style='mso-bidi-font-weight:bold'>Check the<b> </b></span><b><span
2606style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2607mso-hansi-theme-font:major-latin'>Copy results to next histogram</span> </b><span
2608style='mso-bidi-font-weight:bold'>checkbox</span>. This is essential. If this
2609is not selected, then every refinement will start with the current parameters
2610(which are all identical, since they were set with the Copy operations.) The
2611first few refinements will go well, but after the temperature has changed
2612enough, the starting lattice parameters (determined from the cell and
2613with Dxx, where the latter values are near zero) will be too far off
2614to align with the peaks and the refinements will fail. </p>
2615
2616<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2617
2618<p class=MsoListParagraphCxSpMiddle>Note that the Reverse order checkbox causes
2619the sequential refinement to start with the last histogram, not the first.
2620Sometimes this is useful, but not here. </p>
2621
2622<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2623
2624<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2625style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2626style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2627style='mso-bidi-font-weight:bold'>Change </span><b><span style='font-family:
2628"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
2629major-latin'>Max cycles</span></b><span style='mso-bidi-font-weight:bold'> to<b>
2630</b></span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2631major-latin;mso-hansi-theme-font:major-latin'>10</span>.</b> By
2632increasing the number of cycles, we allow the lattice parameters to
2633to fully adjust to the current histogram.
2634</p>
2635
2636<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span></p>
2637
2638<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
2639style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2640style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><!--[if gte vml 1]><v:shape
2641 id="Picture_x0020_28" o:spid="_x0000_s1031" type="#_x0000_t75" style='position:absolute;
2642 left:0;text-align:left;margin-left:28.3pt;margin-top:513.2pt;width:79.5pt;
2643 height:51.5pt;z-index:251671552;visibility:visible;mso-wrap-style:square;
2644 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2645 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2646 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2647 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2648 mso-position-vertical-relative:margin;mso-width-percent:0;
2649 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2650 <v:imagedata src="SequentialTutorial_files/image068.png" o:title=""/>
2651 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2652</v:shape><![endif]--><![if !vml]><img width=106 height=69
2653src="SequentialTutorial_files/image131.jpg" align=right hspace=12 v:shapes="Picture_x0020_28"><![endif]>Start
2654the sequential refinement with <b><span style='font-family:"Calibri",sans-serif;
2655mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
2656refine</span></b><span style='mso-bidi-font-weight:bold'>; this will take some
2657time as the refinement works its way through all the histograms.</span></p>
2658
2659<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2660
2661<p class=MsoListParagraphCxSpMiddle>Note that if the copy operations in <b
2662style='mso-bidi-font-weight:normal'>Step 4</b> were not performed correctly,
2663the refined parameters in each refinement will not be the same
2664and the refinement will stop
2665with an error such as this: </p>
2666
2667<p class=MsoListParagraphCxSpLast>
2668<span style='mso-ignore:vglayout'>
2669 <table cellpadding=0 cellspacing=0>
2670  <tr>
2671   <td width=48 height=0></td>
2672  </tr>
2673  <tr>
2674   <td></td>
2675   <td><img width=572 height=108 src="SequentialTutorial_files/image132.png"
2676   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;"
2677   v:shapes="Text_x0020_Box_x0020_3"></td>
2678  </tr>
2679 </table>
2680 </span>
2681 <br style='mso-ignore:vglayout' clear=ALL>
2682(This error results if the parameters for the second phase were not copied in
2683part 3 so that the phase fraction and strain broadening are retained for all
2684but the first histogram and the 1::D<i style='mso-bidi-font-style:normal'>ii</i>
2685terms are only included the first.)</p>
2686
2687<h1>Step 6: Examine the sequential refinement results.</h1>
2688
2689<p class=MsoListParagraphCxSpFirst><o:p>&nbsp;</o:p></p>
2690
2691<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo14'><![if !supportLists]><span
2692style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2693style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>When
2694the refinement completes, a window will be displayed where you are asked if you
2695want to load the results:</p>
2696
2697<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2698
2699<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><o:wrapblock><v:shape
2700  id="Picture_x0020_29" o:spid="_x0000_s1029" type="#_x0000_t75" style='position:absolute;
2701  left:0;text-align:left;margin-left:78.4pt;margin-top:-102.75pt;width:240.4pt;
2702  height:77.1pt;z-index:251686912;visibility:visible;mso-wrap-style:square;
2703  mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2704  mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2705  mso-wrap-distance-bottom:0;mso-position-horizontal:absolute;
2706  mso-position-horizontal-relative:text;mso-position-vertical:absolute;
2707  mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0;
2708  mso-width-relative:page;mso-height-relative:page'>
2709  <v:imagedata src="SequentialTutorial_files/image071.png" o:title=""
2710   croptop="5978f" cropbottom="14816f" cropleft="4284f" cropright="4357f"/>
2711  <w:wrap type="topAndBottom"/>
2712 </v:shape><![endif]--><![if !vml]><span style='mso-ignore:vglayout'>
2713 <table cellpadding=0 cellspacing=0 align=left>
2714  <tr>
2715   <td width=104 height=0></td>
2716  </tr>
2717  <tr>
2718   <td></td>
2719   <td><img width=321 height=103 src="SequentialTutorial_files/image133.png"
2720   v:shapes="Picture_x0020_29"></td>
2721  </tr>
2722 </table>
2723 </span><![endif]><!--[if gte vml 1]></o:wrapblock><![endif]--><br
2724style='mso-ignore:vglayout' clear=ALL>
2725</p>
2726
2727<p class=MsoListParagraphCxSpMiddle><span style='mso-bidi-font-weight:bold'>After
2728doing </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2729major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>, the <b
2730style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2731mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Sequential
2732Results</span></b> item in the data tree is automatically selected, which
2733displays a summary of the refinement results as a large table. </p>
2734
2735<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2736
2737<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2738mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_54" o:spid="_x0000_i1038"
2739 type="#_x0000_t75" style='width:525pt;height:262.5pt;visibility:visible;
2740 mso-wrap-style:square'>
2741 <v:imagedata src="SequentialTutorial_files/image073.png" o:title=""/>
2742</v:shape><![endif]--><![if !vml]><img width=700 height=350
2743src="SequentialTutorial_files/image134.png" v:shapes="Picture_x0020_54"><![endif]></span></p>
2744
2745<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2746
2747<p class=MsoListParagraphCxSpMiddle>The second column shows the weighted profile
2748R-factor, from each fit. This shows a steady increase with temperature, as
2749might be expected if there were a systematic change in some sample parameters,
2750such as strain or background or even atomic coordinates (all of which have not yet
2751been individually fit).
2752 The &#916;&#967;<sup>2</sup> value in the third column shows the
2753percent improvement in &#967;<sup>2</sup> seen in the last cycle of refinement.
2754(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
27552.5). Since the default convergence criterion in the controls is
2756 0.0001 (or 0.01%) small values, as shown above, indicate the
2757refinement converged. It is good idea to make sure that shifts are
2758small, if need be by running further cycles of
2759refinement, before adding more parameters to be varied. </p>
2760
2761<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2762
2763<p class=MsoListParagraphCxSpMiddle>Subsequent columns will show any of the
2764sample parameters that vary across the datasets, here only temperature and then
2765the direct cell lattice constants for each phase, generated from the A<i
2766style='mso-bidi-font-style:normal'>x</i> and D<i style='mso-bidi-font-style:
2767normal'>ij</i> terms. Scrolling further shows the values of each refined
2768parameter. </p>
2769
2770<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2771
2772<p class=MsoListParagraphCxSpMiddle>Before going farther, it is useful to
2773review the trends in the lattice parameters as a sanity check. This can be done
2774by <span style='mso-bidi-font-weight:bold'>double-clicking on a column of the
2775table</span>, such as the <b style='mso-bidi-font-weight:normal'><span
2776style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2777mso-hansi-theme-font:major-latin'>0::b</span></b> parameter, which displays
2778this plot:</p>
2779
2780<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2781
2782<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2783mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_42" o:spid="_x0000_i1037"
2784 type="#_x0000_t75" style='width:349.5pt;height:300pt;visibility:visible;
2785 mso-wrap-style:square'>
2786 <v:imagedata src="SequentialTutorial_files/image075.png" o:title=""/>
2787</v:shape><![endif]--><![if !vml]><img width=466 height=400
2788src="SequentialTutorial_files/image135.jpg" v:shapes="Picture_x0020_42"><![endif]></span></p>
2789
2790<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2791
2792<p class=MsoListParagraphCxSpMiddle><!--[if gte vml 1]><v:shape id="Picture_x0020_43"
2793 o:spid="_x0000_s1028" type="#_x0000_t75" style='position:absolute;left:0;
2794 text-align:left;margin-left:108.85pt;margin-top:423.2pt;width:160.05pt;
2795 height:154.9pt;z-index:251687936;visibility:visible;mso-wrap-style:square;
2796 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:9pt;
2797 mso-wrap-distance-top:0;mso-wrap-distance-right:9pt;
2798 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
2799 mso-position-horizontal-relative:margin;mso-position-vertical:absolute;
2800 mso-position-vertical-relative:margin;mso-width-percent:0;
2801 mso-height-percent:0;mso-width-relative:page;mso-height-relative:page'>
2802 <v:imagedata src="SequentialTutorial_files/image077.png" o:title="" croptop="4537f"
2803  cropbottom="8924f" cropleft="6531f" cropright="6547f"/>
2804 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2805</v:shape><![endif]--><![if !vml]><img width=213 height=207
2806src="SequentialTutorial_files/image136.png" align=right hspace=12 v:shapes="Picture_x0020_43"><![endif]>Pressing
2807the “<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2808mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>K</span></b>”
2809icon and selecting the "s - select x-axis" option or <span
2810 style='mso-bidi-font-weight:bold'>simply pressing the “</span><b><span
2811style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2812mso-hansi-theme-font:major-latin'>s</span></b><span style='mso-bidi-font-weight:
2813bold'>” key</span> brings up a menu where the x-axis can be selected as
2814temperature. (If the plot fails to update, click on another column and then
2815return to the original column.)</p>
2816
2817<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2818
2819<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2820mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_45" o:spid="_x0000_i1036"
2821 type="#_x0000_t75" style='width:291.75pt;height:222pt;visibility:visible;
2822 mso-wrap-style:square'>
2823 <v:imagedata src="SequentialTutorial_files/image079.png" o:title=""/>
2824</v:shape><![endif]--><![if !vml]><img width=389 height=296
2825src="SequentialTutorial_files/image137.jpg" v:shapes="Picture_x0020_45"><![endif]></span></p>
2826
2827<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
2828
2829<h1>Step 7: Continue the sequential refinement. </h1>
2830
2831<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2832
2833<p class=MsoNormal>At this point we choose to continue the refinements from
2834their current values (note that the <b style='mso-bidi-font-weight:normal'><span
2835style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2836mso-hansi-theme-font:major-latin'>Copy results to next histogram</span></b>
2837checkbox is automatically unchecked after a successful sequential refinement.)
2838including some additional parameters in the refinement. We will do this is a
2839few steps. </p>
2840
2841<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2842
2843<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2844style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
2845style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
2846style='mso-bidi-font-weight:bold'>Restore the refinement of background
2847parameters</span> as before. Do this by selecting the
2848<b>Background</b> tree item for any one histogram, set the flags, as
2849below. </p>
2850<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2851
2852<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2853mso-no-proof:yes'>
2854<img width=384
2855src="SequentialTutorial_files/image138.png" v:shapes="Picture_x0020_47"></span></p>
2856
2857<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2858<p class=MsoListParagraphCxSpMiddle> Then <span
2859style='mso-bidi-font-weight:bold'>use the<b> </b></span><b><span
2860style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2861mso-hansi-theme-font:major-latin'>File/Copy flags</span></b> menu item to copy
2862these refinement flags (only) to all other histograms. NB: the <b style='mso-bidi-font-weight:
2863normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2864major-latin;mso-hansi-theme-font:major-latin'>File/Copy</span></b>
2865menu item would copy the
2866parameter values as well the flags; in this case it would not matter, since all
2867the background values are still the same, but in general this is probably
2868not what you will want to do here. </p>
2869
2870<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2871
2872<p class=MsoListParagraphCxSpLast><!--[if gte vml 1]><v:shape id="Picture_x0020_48"
2873 o:spid="_x0000_s1027" type="#_x0000_t75" style='position:absolute;left:0;
2874 text-align:left;margin-left:0;margin-top:0;width:56pt;height:35pt;z-index:251688960;
2875 visibility:visible;mso-wrap-style:square;mso-width-percent:0;
2876 mso-height-percent:0;mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;
2877 mso-wrap-distance-right:9pt;mso-wrap-distance-bottom:0;
2878 mso-position-horizontal:left;mso-position-horizontal-relative:margin;
2879 mso-position-vertical:top;mso-position-vertical-relative:margin;
2880 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page;
2881 mso-height-relative:page'>
2882 <v:imagedata src="SequentialTutorial_files/image083.png" o:title=""/>
2883 <w:wrap type="square" anchorx="margin" anchory="margin"/>
2884</v:shape><![endif]--><![if !vml]><img width=75 height=47
2885src="SequentialTutorial_files/image139.jpg" align=left hspace=12 v:shapes="Picture_x0020_48"><![endif]><span
2886style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2887 id="Picture_x0020_49" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:158.25pt;
2888 height:152.25pt;visibility:visible;mso-wrap-style:square'>
2889 <v:imagedata src="SequentialTutorial_files/image085.png" o:title=""/>
2890</v:shape><![endif]--><![if !vml]><img width=211 height=203
2891src="SequentialTutorial_files/image140.jpg" v:shapes="Picture_x0020_49"><![endif]></span></p>
2892
2893<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2894
2895<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2896style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
2897style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2898</span></span></span><![endif]>Likewise, resume varying the
2899<b><span
2900style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2901mso-hansi-theme-font:major-latin'>Sample X displacement</span></b>
2902parameter on the <b>Sample Parameters</b> tab for any one histogram and again
2903use the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
2904major-latin;mso-hansi-theme-font:major-latin'>Command/Copy flags</span> </b><span
2905style='mso-bidi-font-weight:bold'>menu item to all other histograms.</span> </p>
2906
2907<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2908
2909<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2910mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84" o:spid="_x0000_i1033"
2911 type="#_x0000_t75" alt="Description: BHT3 HD:private:tmp:s1.png" style='width:177.75pt;
2912 height:233.25pt;visibility:visible;mso-wrap-style:square'>
2913 <v:imagedata src="SequentialTutorial_files/image087.png" o:title="s1"
2914  croptop="2496f" cropbottom="6549f" cropleft="5811f" cropright="6065f"/>
2915</v:shape><![endif]--><![if !vml]><img width=237 height=311
2916src="SequentialTutorial_files/image141.png"
2917alt="Description: BHT3 HD:private:tmp:s1.png" v:shapes="Picture_x0020_84"><![endif]></span></p>
2918
2919<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2920
2921<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2922style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
2923style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
2924</span></span></span><![endif]>For the
2925Phase/histogram parameters <span style='mso-bidi-font-weight:bold'>add the three
2926broadening terms</span> for the CuCr<sub>2</sub>O<sub>4</sub>
2927(<b>CuCr2O4; data tab</b>) phase; then use the <b>Edit Phase/Copy
2928flags</b></span> menu item so that they are varied for all
2929histograms. Do not use "Edit Phase/Copy data" menu item, as this would reset all
2930the lattice constant displacements to a single set of values, wiping
2931out the results of the previous refinement.
2932</p>
2933
2934
2935<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2936
2937<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2938mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_52" o:spid="_x0000_i1032"
2939 type="#_x0000_t75" style='width:249pt;height:180.75pt;visibility:visible;
2940 mso-wrap-style:square'>
2941 <v:imagedata src="SequentialTutorial_files/image089.png" o:title=""/>
2942</v:shape><![endif]--><![if !vml]><img width=332 height=241
2943src="SequentialTutorial_files/image142.jpg" v:shapes="Picture_x0020_52"><![endif]></span></p>
2944
2945<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2946<p class=MsoListParagraphCxSpMiddle>
2947For the <span style='mso-bidi-font-weight:bold'><b>CuO</b> phase, add the single
2948sample broadening term and the remaining lattice parameter</span> via the <b
2949style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2950mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>D13</span></b>
2951term.<span style='mso-spacerun:yes'>  </span>Again, <span style='mso-bidi-font-weight:
2952bold'>use the<b> </b></span><b><span style='font-family:"Calibri",sans-serif;
2953mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Copy flags?</span>
2954</b><span style='mso-bidi-font-weight:bold'>button</span>.
2955
2956
2957<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
2958mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_53" o:spid="_x0000_i1031"
2959 type="#_x0000_t75" style='width:249pt;height:186.75pt;visibility:visible;
2960 mso-wrap-style:square'>
2961 <v:imagedata src="SequentialTutorial_files/image091.png" o:title=""/>
2962</v:shape><![endif]--><![if !vml]><img width=332 height=249
2963src="SequentialTutorial_files/image143.jpg" v:shapes="Picture_x0020_53"><![endif]></span></p>
2964
2965<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p> 
2966<p class=MsoListParagraphCxSpMiddle>
2967Note that we are not varying the Phase fractions, as this will require
2968a change in the constraints, which will be
2969discussed later. </p>
2970
2971<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2972
2973<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'><![if !supportLists]><span
2974style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
2975style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Start
2976the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
2977mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
2978refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
2979fits are significantly improved at higher temperatures, with R<sub>wp</sub>
2980values between 13.8 and 17.</p>
2981
2982<h1>Step 8: Sequential refinement constraints</h1>
2983
2984<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
2985
2986<p class=MsoListParagraphCxSpMiddle
2987style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
29881. We
2989can now add the phase fractions into the refinement, by clicking on the <b>
2990Phase fraction</b> checkbox and <b style='mso-bidi-font-weight:normal'><span
2991style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
2992mso-hansi-theme-font:major-latin'>Copy Flags</span></b> button for both phases.
2993However, if the refinement is attempted at this point a subtle error
2994will occur. If one looks at the phase fractions for all but the first
2995histogram, the sum of the phase fractions will not add up to one. The
2996reason for this is because the constraint we added in
2997<a href="#constraint">Step 1, section 6.</a>
2998only constrained the values of <tt>0:0:Scale</tt> and
2999<tt>1:0:Scale</tt>.
3000</p>
3001
3002<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3003<p class=MsoListParagraphCxSpMiddle>We could define a new constraint
3004for each histogram
3005(on <tt>0:</tt><i>i</i><tt>:Scale</tt> and <tt>1:</tt><i>i</i><tt>:Scale</tt>
3006for <i>i</i>=1,2,...), but this would be rather
3007tedious. We have an
3008alternate way to define this using a single constraint where a
3009wildcard (<span
3010style='font-family:Courier'>*</span>) is used for the histogram
3011number.
3012Wildcards only apply to
3013sequential fits and causes the current histogram number to be inserted for the <span
3014style='font-family:Courier'>*</span> when each histogram is used. </p>
3015
3016<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3017
3018<p class=MsoListParagraphCxSpMiddle>To set up the new constraint, <span
3019style='mso-bidi-font-weight:bold'>click on the </span><b><span
3020style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3021mso-hansi-theme-font:major-latin'>Constraints</span></b><span style='mso-bidi-font-weight:
3022bold'> item</span> in the data tree and the <b><span style='font-family:"Calibri",sans-serif;
3023mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Select
3024tab/Histogram/Phase</span></b><span style='mso-bidi-font-weight:bold'> menu
3025item</span>, and then <span style='mso-bidi-font-weight:bold'>click on the </span><b><span
3026style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3027mso-hansi-theme-font:major-latin'>Edit Constr./Add constraint equation</span></b> menu item.
3028From the menu, we want one of the two <b><span style='font-family:"Calibri",sans-serif;
3029mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>x:*:Scale</span></b><span
3030style='mso-bidi-font-weight:bold'> wild card phase fractions</span>; they are
3031at the bottom of the list </p>
3032
3033<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3034style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3035 id="Picture_x0020_26" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:359.25pt;
3036 height:155.25pt;visibility:visible;mso-wrap-style:square'>
3037 <v:imagedata src="SequentialTutorial_files/image094.png" o:title="" croptop="3844f"
3038  cropbottom="8174f" cropleft="3258f" cropright="2910f"/>
3039</v:shape><![endif]--><![if !vml]><img width=479 height=207
3040src="SequentialTutorial_files/image145.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
3041
3042<p class=MsoListParagraphCxSpMiddle>There will only be one possible matching
3043variable in the next window, so <span style='mso-bidi-font-weight:bold'>select
3044that and press </span><b><span style='font-family:"Calibri",sans-serif;
3045mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>OK</span></b>.</p>
3046
3047<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3048mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" o:spid="_x0000_i1029"
3049 type="#_x0000_t75" style='width:311.25pt;height:104.25pt;visibility:visible;
3050 mso-wrap-style:square'>
3051 <v:imagedata src="SequentialTutorial_files/image096.png" o:title="" croptop="5557f"
3052  cropbottom="11943f" cropleft="3390f" cropright="3551f"/>
3053</v:shape><![endif]--><![if !vml]><img width=415 height=139
3054src="SequentialTutorial_files/image146.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
3055
3056<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3057
3058<p class=MsoListParagraphCxSpMiddle>The initial and the most recently defined
3059constraints will then be shown. These two constraints do the same
3060thing for the first histogram and do not interfere but it is best to
3061remove the orignal constraint for simplicity.</p>
3062
3063<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3064mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_28" o:spid="_x0000_i1028"
3065 type="#_x0000_t75" style='width:249.75pt;height:83.25pt;visibility:visible;
3066 mso-wrap-style:square'>
3067 <v:imagedata src="SequentialTutorial_files/image098.png" o:title="" croptop="6527f"
3068  cropbottom="13784f" cropleft="4299f" cropright="4371f"/>
3069</v:shape><![endif]--><![if !vml]><img width=333 height=111
3070src="SequentialTutorial_files/image147.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
3071
3072<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3073
3074<p class=MsoListParagraphCxSpMiddle>To remove the initial constrain
3075press the <b>Delete</b> button in front of the first constraint to remove
3076it.</p>
3077
3078<p class=MsoListParagraphCxSpMiddle><span style='mso-spacerun:yes'> </span><span
3079style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
3080 id="Picture_x0020_29" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:252.75pt;
3081 height:84pt;visibility:visible;mso-wrap-style:square'>
3082 <v:imagedata src="SequentialTutorial_files/image100.png" o:title="" croptop="7993f"
3083  cropbottom="14017f" cropleft="4425f" cropright="4157f"/>
3084</v:shape><![endif]--><![if !vml]><img width=337 height=112
3085src="SequentialTutorial_files/image148.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
3086
3087<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3088
3089<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
30902. Start
3091the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3092mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3093refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item<b>.</b></span>
3094Three new columns appear at the end of the table for <b style='mso-bidi-font-weight:
3095normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3096major-latin;mso-hansi-theme-font:major-latin'>::constr0</span></b> (generated
3097by the constraint) and the initial variables, <b style='mso-bidi-font-weight:
3098normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3099major-latin;mso-hansi-theme-font:major-latin'>0:*:Scale</span></b> and <b
3100style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3101mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>1:*:Scale</span></b>.
3102Changes to the R<sub>wp</sub> values are quite small, even though the
3103phase fraction for
3104the minor phase changes significantly. This indicates that the refinement is
3105relatively insensitive to these values. This would be a good argument
3106for fixing the value as a constant. </p>
3107
3108<h1>Step 9: Atomic parameter refinement</h1>
3109
3110<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3111
3112<p class=MsoListParagraphCxSpMiddle>The last thing we will add to the
3113refinement will be atomic parameters. Note that these are handled a bit
3114differently than the previous things we have refined. There is only one set of
3115coordinates for each phase and these will be refined for each histogram, but
3116are not saved individually, except in the summary table.</p>
3117
3118<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3119<p class=MsoListParagraphCxSpMiddle>This means that after the
3120sequential refinement has been run, the atomic parameters in the
3121phase(s) will correspond to the last histogram.
3122If we repeat the sequential refinement, the coordinates, etc.
3123from the last histogram will be used to fit the first histogram. This
3124may work fine, but if the values have changed significantly between
3125the first and last histogram, there could be problems. The Reverse order
3126checkbox on the Controls causes the sequential refinement to start with the
3127last histogram, which would avoid this issue. </p>
3128
3129<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3130
3131<p class=MsoListParagraphCxSpLast
3132style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
31331. Select
3134the </span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3135major-latin;mso-hansi-theme-font:major-latin'>CuCr2O4</span></b><span
3136style='mso-bidi-font-weight:bold'> phase</span> to and then the <b
3137style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3138mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Atoms</span></b>
3139tab. <span style='mso-bidi-font-weight:bold'>Double-click on the </span><b><span
3140style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3141mso-hansi-theme-font:major-latin'>refine</span></b><span style='mso-bidi-font-weight:
3142bold'> label</span> at the top of the atoms table, a refinement controls dialog
3143opens, <span style='mso-bidi-font-weight:bold'>select </span><b><span
3144style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3145mso-hansi-theme-font:major-latin'>X</span></b><span style='mso-bidi-font-weight:
3146bold'> to refine coordinates (only O has coordinates not fixed by symmetry) and
3147</span><b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
3148major-latin;mso-hansi-theme-font:major-latin'>U</span></b> to refine the atomic
3149displacement (Uiso) values.<span style='mso-spacerun:yes'>  </span><span
3150style='mso-bidi-font-weight:bold'>Press </span><b><span style='font-family:
3151"Calibri",sans-serif;mso-ascii-theme-font:major-latin;mso-hansi-theme-font:
3152major-latin'>OK</span></b><span style='mso-bidi-font-weight:bold'>.</span> </p>
3153
3154<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3155mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_31" o:spid="_x0000_i1026"
3156 type="#_x0000_t75" style='width:167.25pt;height:156pt;visibility:visible;
3157 mso-wrap-style:square'>
3158 <v:imagedata src="SequentialTutorial_files/image102.png" o:title=""/>
3159</v:shape><![endif]--><![if !vml]><img width=223 height=208
3160src="SequentialTutorial_files/image149.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
3161
3162<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3163<p class=MsoListParagraphCxSpMiddle>Note the change in the atom table:</p>
3164
3165<p class=MsoListParagraphCxSpMiddle><span style='mso-fareast-language:EN-US;
3166mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_32" o:spid="_x0000_i1025"
3167 type="#_x0000_t75" style='width:353.25pt;height:152.25pt;visibility:visible;
3168 mso-wrap-style:square'>
3169 <v:imagedata src="SequentialTutorial_files/image104.png" o:title=""/>
3170</v:shape><![endif]--><![if !vml]><img width=471 height=203
3171src="SequentialTutorial_files/image150.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
3172
3173<p class=MsoListParagraphCxSpMiddle>Note that since these parameters are shared
3174directly in all histograms, no Copy or Copy flags menu item is needed or even
3175available. </p>
3176
3177<p class=MsoListParagraphCxSpMiddle><o:p>&nbsp;</o:p></p>
3178
3179<p class=MsoListParagraphCxSpLast
3180style='text-indent:-.25in;mso-list:l1 level1 lfo16'>
31812. Start
3182the sequential refinement again with the <b><span style='font-family:"Calibri",sans-serif;
3183mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Calculate/Sequential
3184refine</span> </b><span style='mso-bidi-font-weight:bold'>menu item</span>. The
3185fits are somewhat at the higher temperatures, with R<sub>wp</sub>
3186values between 13.8 and 16.4. As would be expected the Uiso values
3187increase with temperature, but the Uiso values for the O atom are less
3188than 0.0 at the lowest temperature. This indicates that these data are
3189insufficient to determine atomic displacements accurately for such a
3190relatively light atom.</p>
3191
3192<p>
3193This completes the sequential refinement tutorial, although several more things
3194could be attempted to further improve the refinement quality.
3195
3196Be sure to save the project file by <span
3197style='mso-bidi-font-weight:bold'>selecting the </span><b><span
3198style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:major-latin;
3199mso-hansi-theme-font:major-latin'>File/Save project</span></b><span
3200style='mso-bidi-font-weight:bold'> menu item</span>, since this will used in a
3201later tutorial.
3202
3203In the <b
3204style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
3205mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin'>Parametric
3206Fitting and Pseudo Variables for Sequential Fits</span></b> tutorial, functions
3207of fitted parameters are computed and plotted and results are fitted to
3208equations of state.</p>
3209
3210</div>
3211
3212</body>
3213
3214</html>
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