source: trunk/help/Sequential Refinement of Small Angle Scattering Data.htm @ 1332

Last change on this file since 1332 was 1332, checked in by vondreele, 8 years ago

undo "correction" to line 1887 on G2obj; fix was applied elsewhere.
Add new tutorial for SASD Sequential refinement

File size: 83.0 KB
Line 
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384        mso-pagination:widow-orphan;
385        mso-outline-level:1;
386        font-size:24.0pt;
387        font-family:"Times New Roman","serif";
388        mso-fareast-font-family:"Times New Roman";
389        mso-fareast-theme-font:minor-fareast;
390        font-weight:bold;}
391h2
392        {mso-style-noshow:yes;
393        mso-style-priority:9;
394        mso-style-qformat:yes;
395        mso-style-link:"Heading 2 Char";
396        mso-margin-top-alt:auto;
397        margin-right:0in;
398        mso-margin-bottom-alt:auto;
399        margin-left:0in;
400        mso-pagination:widow-orphan;
401        mso-outline-level:2;
402        font-size:18.0pt;
403        font-family:"Times New Roman","serif";
404        mso-fareast-font-family:"Times New Roman";
405        mso-fareast-theme-font:minor-fareast;
406        font-weight:bold;}
407h3
408        {mso-style-noshow:yes;
409        mso-style-priority:9;
410        mso-style-qformat:yes;
411        mso-style-link:"Heading 3 Char";
412        mso-margin-top-alt:auto;
413        margin-right:0in;
414        mso-margin-bottom-alt:auto;
415        margin-left:0in;
416        mso-pagination:widow-orphan;
417        mso-outline-level:3;
418        font-size:13.5pt;
419        font-family:"Times New Roman","serif";
420        mso-fareast-font-family:"Times New Roman";
421        mso-fareast-theme-font:minor-fareast;
422        font-weight:bold;}
423h4
424        {mso-style-noshow:yes;
425        mso-style-priority:9;
426        mso-style-qformat:yes;
427        mso-style-link:"Heading 4 Char";
428        mso-style-next:Normal;
429        margin-top:10.0pt;
430        margin-right:0in;
431        margin-bottom:0in;
432        margin-left:0in;
433        margin-bottom:.0001pt;
434        mso-pagination:widow-orphan lines-together;
435        page-break-after:avoid;
436        mso-outline-level:4;
437        font-size:13.0pt;
438        font-family:"Cambria","serif";
439        mso-ascii-font-family:Cambria;
440        mso-ascii-theme-font:major-latin;
441        mso-fareast-font-family:"Times New Roman";
442        mso-fareast-theme-font:major-fareast;
443        mso-hansi-font-family:Cambria;
444        mso-hansi-theme-font:major-latin;
445        mso-bidi-font-family:"Times New Roman";
446        mso-bidi-theme-font:major-bidi;
447        color:#4F81BD;
448        mso-themecolor:accent1;
449        font-weight:bold;
450        font-style:italic;}
451h5
452        {mso-style-noshow:yes;
453        mso-style-priority:9;
454        mso-style-qformat:yes;
455        mso-style-link:"Heading 5 Char";
456        mso-margin-top-alt:auto;
457        margin-right:0in;
458        mso-margin-bottom-alt:auto;
459        margin-left:0in;
460        mso-pagination:widow-orphan;
461        mso-outline-level:5;
462        font-size:12.0pt;
463        font-family:"Times New Roman","serif";
464        mso-fareast-font-family:"Times New Roman";
465        mso-fareast-theme-font:minor-fareast;
466        color:#4F4FFF;
467        font-weight:bold;}
468a:link, span.MsoHyperlink
469        {mso-style-noshow:yes;
470        mso-style-priority:99;
471        color:blue;
472        text-decoration:underline;
473        text-underline:single;}
474a:visited, span.MsoHyperlinkFollowed
475        {mso-style-noshow:yes;
476        mso-style-priority:99;
477        color:purple;
478        text-decoration:underline;
479        text-underline:single;}
480p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap
481        {mso-style-noshow:yes;
482        mso-style-priority:99;
483        mso-style-link:"Document Map Char";
484        margin:0in;
485        margin-bottom:.0001pt;
486        mso-pagination:widow-orphan;
487        font-size:8.0pt;
488        font-family:"Tahoma","sans-serif";
489        mso-fareast-font-family:"Times New Roman";
490        mso-fareast-theme-font:minor-fareast;}
491p
492        {mso-style-noshow:yes;
493        mso-style-priority:99;
494        mso-margin-top-alt:auto;
495        margin-right:0in;
496        mso-margin-bottom-alt:auto;
497        margin-left:0in;
498        mso-pagination:widow-orphan;
499        font-size:12.0pt;
500        font-family:"Times New Roman","serif";
501        mso-fareast-font-family:"Times New Roman";
502        mso-fareast-theme-font:minor-fareast;}
503pre
504        {mso-style-noshow:yes;
505        mso-style-priority:99;
506        mso-style-link:"HTML Preformatted Char";
507        margin:0in;
508        margin-bottom:.0001pt;
509        mso-pagination:widow-orphan;
510        tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt;
511        font-size:10.0pt;
512        font-family:"Courier New";
513        mso-fareast-font-family:"Times New Roman";}
514p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
515        {mso-style-noshow:yes;
516        mso-style-priority:99;
517        mso-style-link:"Balloon Text Char";
518        margin:0in;
519        margin-bottom:.0001pt;
520        mso-pagination:widow-orphan;
521        font-size:8.0pt;
522        font-family:"Tahoma","sans-serif";
523        mso-fareast-font-family:"Times New Roman";
524        mso-fareast-theme-font:minor-fareast;}
525span.MsoPlaceholderText
526        {mso-style-noshow:yes;
527        mso-style-priority:99;
528        mso-style-unhide:no;
529        color:gray;}
530p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing
531        {mso-style-noshow:yes;
532        mso-style-priority:1;
533        mso-style-unhide:no;
534        mso-style-qformat:yes;
535        mso-style-parent:"";
536        margin:0in;
537        margin-bottom:.0001pt;
538        mso-pagination:widow-orphan;
539        font-size:12.0pt;
540        font-family:"Times New Roman","serif";
541        mso-fareast-font-family:"Times New Roman";
542        mso-fareast-theme-font:minor-fareast;}
543p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph
544        {mso-style-noshow:yes;
545        mso-style-priority:34;
546        mso-style-unhide:no;
547        mso-style-qformat:yes;
548        margin-top:0in;
549        margin-right:0in;
550        margin-bottom:0in;
551        margin-left:.5in;
552        margin-bottom:.0001pt;
553        mso-add-space:auto;
554        mso-pagination:widow-orphan;
555        font-size:12.0pt;
556        font-family:"Times New Roman","serif";
557        mso-fareast-font-family:"Times New Roman";
558        mso-fareast-theme-font:minor-fareast;}
559p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst
560        {mso-style-noshow:yes;
561        mso-style-priority:34;
562        mso-style-unhide:no;
563        mso-style-qformat:yes;
564        mso-style-type:export-only;
565        margin-top:0in;
566        margin-right:0in;
567        margin-bottom:0in;
568        margin-left:.5in;
569        margin-bottom:.0001pt;
570        mso-add-space:auto;
571        mso-pagination:widow-orphan;
572        font-size:12.0pt;
573        font-family:"Times New Roman","serif";
574        mso-fareast-font-family:"Times New Roman";
575        mso-fareast-theme-font:minor-fareast;}
576p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle
577        {mso-style-noshow:yes;
578        mso-style-priority:34;
579        mso-style-unhide:no;
580        mso-style-qformat:yes;
581        mso-style-type:export-only;
582        margin-top:0in;
583        margin-right:0in;
584        margin-bottom:0in;
585        margin-left:.5in;
586        margin-bottom:.0001pt;
587        mso-add-space:auto;
588        mso-pagination:widow-orphan;
589        font-size:12.0pt;
590        font-family:"Times New Roman","serif";
591        mso-fareast-font-family:"Times New Roman";
592        mso-fareast-theme-font:minor-fareast;}
593p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast
594        {mso-style-noshow:yes;
595        mso-style-priority:34;
596        mso-style-unhide:no;
597        mso-style-qformat:yes;
598        mso-style-type:export-only;
599        margin-top:0in;
600        margin-right:0in;
601        margin-bottom:0in;
602        margin-left:.5in;
603        margin-bottom:.0001pt;
604        mso-add-space:auto;
605        mso-pagination:widow-orphan;
606        font-size:12.0pt;
607        font-family:"Times New Roman","serif";
608        mso-fareast-font-family:"Times New Roman";
609        mso-fareast-theme-font:minor-fareast;}
610span.MsoIntenseReference
611        {mso-style-priority:32;
612        mso-style-unhide:no;
613        mso-style-qformat:yes;
614        font-variant:small-caps;
615        color:#C0504D;
616        mso-themecolor:accent2;
617        letter-spacing:.25pt;
618        font-weight:bold;
619        text-decoration:underline;
620        text-underline:single;}
621span.Heading1Char
622        {mso-style-name:"Heading 1 Char";
623        mso-style-priority:9;
624        mso-style-unhide:no;
625        mso-style-locked:yes;
626        mso-style-link:"Heading 1";
627        mso-ansi-font-size:24.0pt;
628        mso-bidi-font-size:24.0pt;
629        font-family:"Times New Roman","serif";
630        mso-ascii-font-family:"Times New Roman";
631        mso-fareast-font-family:"Times New Roman";
632        mso-fareast-theme-font:minor-fareast;
633        mso-hansi-font-family:"Times New Roman";
634        mso-bidi-font-family:"Times New Roman";
635        mso-font-kerning:18.0pt;
636        font-weight:bold;}
637span.Heading2Char
638        {mso-style-name:"Heading 2 Char";
639        mso-style-noshow:yes;
640        mso-style-priority:9;
641        mso-style-unhide:no;
642        mso-style-locked:yes;
643        mso-style-link:"Heading 2";
644        mso-ansi-font-size:18.0pt;
645        mso-bidi-font-size:18.0pt;
646        font-family:"Times New Roman","serif";
647        mso-ascii-font-family:"Times New Roman";
648        mso-fareast-font-family:"Times New Roman";
649        mso-fareast-theme-font:minor-fareast;
650        mso-hansi-font-family:"Times New Roman";
651        mso-bidi-font-family:"Times New Roman";
652        font-weight:bold;}
653span.Heading3Char
654        {mso-style-name:"Heading 3 Char";
655        mso-style-noshow:yes;
656        mso-style-priority:9;
657        mso-style-unhide:no;
658        mso-style-locked:yes;
659        mso-style-link:"Heading 3";
660        mso-ansi-font-size:13.5pt;
661        mso-bidi-font-size:13.5pt;
662        font-family:"Times New Roman","serif";
663        mso-ascii-font-family:"Times New Roman";
664        mso-fareast-font-family:"Times New Roman";
665        mso-fareast-theme-font:minor-fareast;
666        mso-hansi-font-family:"Times New Roman";
667        mso-bidi-font-family:"Times New Roman";
668        font-weight:bold;}
669span.Heading4Char
670        {mso-style-name:"Heading 4 Char";
671        mso-style-noshow:yes;
672        mso-style-priority:9;
673        mso-style-unhide:no;
674        mso-style-locked:yes;
675        mso-style-link:"Heading 4";
676        mso-ansi-font-size:13.0pt;
677        mso-bidi-font-size:13.0pt;
678        font-family:"Cambria","serif";
679        mso-ascii-font-family:Cambria;
680        mso-ascii-theme-font:major-latin;
681        mso-fareast-font-family:"Times New Roman";
682        mso-fareast-theme-font:major-fareast;
683        mso-hansi-font-family:Cambria;
684        mso-hansi-theme-font:major-latin;
685        mso-bidi-font-family:"Times New Roman";
686        mso-bidi-theme-font:major-bidi;
687        color:#4F81BD;
688        mso-themecolor:accent1;
689        font-weight:bold;
690        font-style:italic;}
691span.Heading5Char
692        {mso-style-name:"Heading 5 Char";
693        mso-style-noshow:yes;
694        mso-style-priority:9;
695        mso-style-unhide:no;
696        mso-style-locked:yes;
697        mso-style-link:"Heading 5";
698        mso-ansi-font-size:12.0pt;
699        mso-bidi-font-size:12.0pt;
700        font-family:"Times New Roman","serif";
701        mso-ascii-font-family:"Times New Roman";
702        mso-fareast-font-family:"Times New Roman";
703        mso-fareast-theme-font:minor-fareast;
704        mso-hansi-font-family:"Times New Roman";
705        mso-bidi-font-family:"Times New Roman";
706        color:#4F4FFF;
707        font-weight:bold;}
708span.HTMLPreformattedChar
709        {mso-style-name:"HTML Preformatted Char";
710        mso-style-noshow:yes;
711        mso-style-priority:99;
712        mso-style-unhide:no;
713        mso-style-locked:yes;
714        mso-style-link:"HTML Preformatted";
715        font-family:"Courier New";
716        mso-ascii-font-family:"Courier New";
717        mso-fareast-font-family:"Times New Roman";
718        mso-hansi-font-family:"Courier New";
719        mso-bidi-font-family:"Courier New";}
720span.DocumentMapChar
721        {mso-style-name:"Document Map Char";
722        mso-style-noshow:yes;
723        mso-style-priority:99;
724        mso-style-unhide:no;
725        mso-style-locked:yes;
726        mso-style-link:"Document Map";
727        mso-ansi-font-size:8.0pt;
728        mso-bidi-font-size:8.0pt;
729        font-family:"Tahoma","sans-serif";
730        mso-ascii-font-family:Tahoma;
731        mso-fareast-font-family:"Times New Roman";
732        mso-fareast-theme-font:minor-fareast;
733        mso-hansi-font-family:Tahoma;
734        mso-bidi-font-family:Tahoma;}
735span.BalloonTextChar
736        {mso-style-name:"Balloon Text Char";
737        mso-style-noshow:yes;
738        mso-style-priority:99;
739        mso-style-unhide:no;
740        mso-style-locked:yes;
741        mso-style-link:"Balloon Text";
742        mso-ansi-font-size:8.0pt;
743        mso-bidi-font-size:8.0pt;
744        font-family:"Tahoma","sans-serif";
745        mso-ascii-font-family:Tahoma;
746        mso-fareast-font-family:"Times New Roman";
747        mso-fareast-theme-font:minor-fareast;
748        mso-hansi-font-family:Tahoma;
749        mso-bidi-font-family:Tahoma;}
750span.SpellE
751        {mso-style-name:"";
752        mso-spl-e:yes;}
753span.GramE
754        {mso-style-name:"";
755        mso-gram-e:yes;}
756.MsoChpDefault
757        {mso-style-type:export-only;
758        mso-default-props:yes;
759        font-size:10.0pt;
760        mso-ansi-font-size:10.0pt;
761        mso-bidi-font-size:10.0pt;
762        font-family:"Calibri","sans-serif";
763        mso-ascii-font-family:Calibri;
764        mso-ascii-theme-font:minor-latin;
765        mso-fareast-font-family:Calibri;
766        mso-fareast-theme-font:minor-latin;
767        mso-hansi-font-family:Calibri;
768        mso-hansi-theme-font:minor-latin;
769        mso-bidi-font-family:"Times New Roman";
770        mso-bidi-theme-font:minor-bidi;}
771@page WordSection1
772        {size:8.5in 11.0in;
773        margin:1.0in 1.0in 1.0in 1.0in;
774        mso-header-margin:.5in;
775        mso-footer-margin:.5in;
776        mso-paper-source:0;}
777div.WordSection1
778        {page:WordSection1;}
779 /* List Definitions */
780 @list l0
781        {mso-list-id:608973138;
782        mso-list-type:hybrid;
783        mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
784@list l0:level1
785        {mso-level-tab-stop:none;
786        mso-level-number-position:left;
787        text-indent:-.25in;}
788@list l0:level2
789        {mso-level-number-format:alpha-lower;
790        mso-level-tab-stop:none;
791        mso-level-number-position:left;
792        text-indent:-.25in;}
793@list l0:level3
794        {mso-level-number-format:roman-lower;
795        mso-level-tab-stop:none;
796        mso-level-number-position:right;
797        text-indent:-9.0pt;}
798@list l0:level4
799        {mso-level-tab-stop:none;
800        mso-level-number-position:left;
801        text-indent:-.25in;}
802@list l0:level5
803        {mso-level-number-format:alpha-lower;
804        mso-level-tab-stop:none;
805        mso-level-number-position:left;
806        text-indent:-.25in;}
807@list l0:level6
808        {mso-level-number-format:roman-lower;
809        mso-level-tab-stop:none;
810        mso-level-number-position:right;
811        text-indent:-9.0pt;}
812@list l0:level7
813        {mso-level-tab-stop:none;
814        mso-level-number-position:left;
815        text-indent:-.25in;}
816@list l0:level8
817        {mso-level-number-format:alpha-lower;
818        mso-level-tab-stop:none;
819        mso-level-number-position:left;
820        text-indent:-.25in;}
821@list l0:level9
822        {mso-level-number-format:roman-lower;
823        mso-level-tab-stop:none;
824        mso-level-number-position:right;
825        text-indent:-9.0pt;}
826ol
827        {margin-bottom:0in;}
828ul
829        {margin-bottom:0in;}
830-->
831</style>
832<!--[if gte mso 10]>
833<style>
834 /* Style Definitions */
835 table.MsoNormalTable
836        {mso-style-name:"Table Normal";
837        mso-tstyle-rowband-size:0;
838        mso-tstyle-colband-size:0;
839        mso-style-noshow:yes;
840        mso-style-priority:99;
841        mso-style-parent:"";
842        mso-padding-alt:0in 5.4pt 0in 5.4pt;
843        mso-para-margin:0in;
844        mso-para-margin-bottom:.0001pt;
845        mso-pagination:widow-orphan;
846        font-size:10.0pt;
847        font-family:"Calibri","sans-serif";
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874 <o:shapedefaults v:ext="edit" spidmax="1026"/>
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879</head>
880
881<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
882
883<div class=WordSection1>
884
885<h1><strong><span style='mso-bidi-font-weight:normal'>Sequential Refinement of
886Small Angle Scattering Data</span><o:p></o:p></strong></h1>
887
888<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
889this tutorial you will fit USAXS small angle scattering data for “<span
890class=SpellE>Ludox</span>” colloidal silica (Aldrich, LUDOX TM-50?) prepared in
891a range of dilutions to demonstrate the sequential refinement technique in
892GSAS-II for SASD and demonstrate fitting with a hard sphere structure factor
893for non-dilute systems.<span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
894minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'><o:p></o:p></span></p>
895
896<p class=MsoNormal>If you have not done so already, <a
897href="Starting%20GSAS.htm">start GSAS-II</a>.</p>
898
899<h2>Step 1: read in the data files</h2>
900
901<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
902style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
903style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
904the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
905mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
906Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from a q step
907QIE data file</span></b> menu item to read the data files into GSAS-II. This
908read option is set to read three column small angle scattering data (SASD) as Q
909in Å<sup>-1</sup>, intensity and estimated standard deviation in intensity;
910there may be a header with metadata information in the front of this file.<span
911style='mso-spacerun:yes'>  </span>It will read multiple files from a single
912directory. Change the file directory to <b style='mso-bidi-font-weight:normal'><span
913style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
914mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
915minor-latin'>Exercises/Small angle</span></b><span style='font-family:"Calibri","sans-serif";
916mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
917Calibri;mso-bidi-theme-font:minor-latin'> to find the files.</span></p>
918
919<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
920style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
921style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
922the six<span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
923minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
924mso-bidi-theme-font:minor-latin'> data</span> files with ‘<span class=SpellE><b
925style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
926mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ludox</span></b></span>’
927in their name in the first dialog and press <b style='mso-bidi-font-weight:
928normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
929minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
930mso-bidi-theme-font:minor-latin'>Open</span></b>. All six will immediately be
931read into GSAS-II; you will have to select the <b style='mso-bidi-font-weight:
932normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
933minor-latin;mso-hansi-theme-font:minor-latin'>any file (*.*)</span></b> filter
934to see them.</p>
935
936<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
937
938<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
939style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
940mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
941minor-latin'>GSAS-II data tree</span></b> window will have several entries and
942the plot window will show the SASD pattern for all six as a log-log plot of intensity
943vs. Q; one shows error bars (<b style='mso-bidi-font-weight:normal'><span
944style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
945mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) as it is
946the selected tree entry and the others as lines.</p>
947
948<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
949 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
950 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
951 <v:stroke joinstyle="miter"/>
952 <v:formulas>
953  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
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955  <v:f eqn="sum 0 0 @1"/>
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959  <v:f eqn="sum @0 0 1"/>
960  <v:f eqn="prod @6 1 2"/>
961  <v:f eqn="prod @7 21600 pixelWidth"/>
962  <v:f eqn="sum @8 21600 0"/>
963  <v:f eqn="prod @7 21600 pixelHeight"/>
964  <v:f eqn="sum @10 21600 0"/>
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966 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
967 <o:lock v:ext="edit" aspectratio="t"/>
968</v:shapetype><v:shape id="Picture_x0020_25" o:spid="_x0000_i1054" type="#_x0000_t75"
969 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
970 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
971  o:title=""/>
972</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
973src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
974v:shapes="Picture_x0020_25"><![endif]></span></p>
975
976<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
977
978<p class=MsoNormal>For this step we will reposition the limits to exclude the
979low-Q (&lt;10<sup>-3</sup>) part of the patterns which do not seem to follow
980the sequence evident in the 10<sup>-2</sup> – 10<sup>-1</sup> part. Select <b
981style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
982mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Limits</span></b>
983under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
984mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
985data.dat</span></b> from the GSAS-II tree. Set the lower limit using the cursor
986on the plot by picking a point somewhere in the flat region at Q~3x10<sup>-3</sup>
987with the left or right mouse button. The limits window should look something
988like</p>
989
990<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
991 id="Picture_x0020_26" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:225pt;
992 height:195pt;visibility:visible;mso-wrap-style:square'>
993 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
994  o:title=""/>
995</v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260
996src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
997v:shapes="Picture_x0020_26"><![endif]></span><span
998style='mso-spacerun:yes'> </span></p>
999
1000<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1001
1002<p class=MsoNormal>To copy these limits to the other data sets use the <b
1003style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1004mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy</span></b>
1005command from the data window menu; a popup window will give the selection of
1006targets.<br>
1007<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27"
1008 o:spid="_x0000_i1052" type="#_x0000_t75" style='width:240pt;height:232.5pt;
1009 visibility:visible;mso-wrap-style:square'>
1010 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1011  o:title=""/>
1012</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=310
1013src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1014v:shapes="Picture_x0020_27"><![endif]></span></p>
1015
1016<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1017
1018<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1019style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1020mso-hansi-theme-font:minor-latin'>Set All</span></b> (all boxes will be
1021checked) and then press <b style='mso-bidi-font-weight:normal'><span
1022style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1023mso-hansi-theme-font:minor-latin'>Enter</span></b> to do the copy.</p>
1024
1025<h2>Step 3 Select the scattering substances for your sample</h2>
1026
1027<p class=MsoNormal><span style='mso-no-proof:yes'>Two substances need to be
1028defined for your sample to give the anticipated scattering contrast; in this
1029case one is silica and the other is water. Parameters for a number of
1030substances are defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1031style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1032mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1033style='mso-no-proof:yes'>. You can add your own substances to this or better
1034put them in </span><b style='mso-bidi-font-weight:normal'><span
1035style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1036mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1037style='mso-no-proof:yes'>; this is read after Substances.py when you load
1038substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1039normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1040minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the
1041GSAS-II tree. Then do <b style='mso-bidi-font-weight:normal'><span
1042style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1043mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance from the menu;
1044a popup window will appear with possible selections</p>
1045
1046<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1047 id="Picture_x0020_3" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:259.5pt;
1048 height:252pt;visibility:visible;mso-wrap-style:square'>
1049 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1050  o:title=""/>
1051</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
1052src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1053v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1054
1055<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1056
1057<p class=MsoNormal>Notice that silica is not one of the choices; we will add it
1058in a moment. Select <b style='mso-bidi-font-weight:normal'><span
1059style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1060mso-hansi-theme-font:minor-latin'>Water</span></b> and press <b
1061style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1062mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1063the relevant data for water (and vacuum) are displayed next</p>
1064
1065<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1066 id="Picture_x0020_28" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:259.5pt;
1067 height:195pt;visibility:visible;mso-wrap-style:square'>
1068 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1069  o:title=""/>
1070</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=260
1071src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1072v:shapes="Picture_x0020_28"><![endif]></span><span
1073style='mso-spacerun:yes'> </span></p>
1074
1075<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1076
1077<p class=MsoNormal>If desired, you can load/add as many substances as you want to
1078this list; you can also delete any of them (except vacuum). The composition,
1079volume occupied by the atoms in the composition and the density are given for
1080each substance. These can each be edited; the other values will change
1081accordingly. Since silica wasn’t in the list of known substances, do <b
1082style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1083mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
1084substance</span></b> to create it; you will be asked for a name – enter <b
1085style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1086mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>
1087and then a periodic table of the elements will be shown. Select <b
1088style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1089mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Si</span></b>
1090and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1091mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p>
1092
1093<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1094 id="Picture_x0020_29" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:435pt;
1095 height:270pt;visibility:visible;mso-wrap-style:square'>
1096 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1097  o:title=""/>
1098</v:shape><![endif]--><![if !vml]><img border=0 width=580 height=360
1099src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1100v:shapes="Picture_x0020_29"><![endif]></span><span
1101style='mso-spacerun:yes'> </span></p>
1102
1103<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1104
1105<p class=MsoNormal>They appear in red. Press <b style='mso-bidi-font-weight:
1106normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1107minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> and silica will be
1108added to your substance list</p>
1109
1110<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1111 id="Picture_x0020_30" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:259.5pt;
1112 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1113 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1114  o:title=""/>
1115</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=377
1116src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1117v:shapes="Picture_x0020_30"><![endif]></span></p>
1118
1119<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1120
1121<p class=MsoNormal>Change the O-atom entry to <b style='mso-bidi-font-weight:
1122normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1123minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b> and the density to
1124<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1125mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.65</span></b>;
1126the window will change each time giving new values and should finally show</p>
1127
1128<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1129 id="Picture_x0020_8" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:259.5pt;
1130 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1131 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1132  o:title=""/>
1133</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=377
1134src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1135v:shapes="Picture_x0020_8"><![endif]></span><span
1136style='mso-spacerun:yes'> </span></p>
1137
1138<p class=MsoNormal>From this information the scattering density and that as
1139affected by resonant scattering for the listed wavelength is displayed (the
1140wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span
1141style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1142mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree
1143item if needed). The resonant scattering value is used for contrast
1144calculations.</p>
1145
1146<p class=MsoNormal>Just as for Limits, this information needs to be copied to
1147the other SASD entries in the GSAS-II tree. Do <b style='mso-bidi-font-weight:
1148normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1149minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy substances</span></b>
1150from the data window menu and follow the same selection procedure as you used
1151for limits above.</p>
1152
1153<h2><a name="_Ref386699210">Step 4: Set Sample parameters</a> </h2>
1154
1155<p class=MsoNormal><span style='mso-no-proof:yes'>As these data sets were
1156collected from a sequence of samples where there was some variable changed in
1157their preparation, it would be useful to have this information available to
1158GSAS-II for subsequent analysis. Select Sample parameters from the data tree.
1159Is shows (for </span><b style='mso-bidi-font-weight:normal'><span
1160style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1161mso-hansi-theme-font:minor-latin'>SASD <span class=GramE>S49_Ludox6_1pct.dat</span>)<o:p></o:p></span></b></p>
1162
1163<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1164 id="Picture_x0020_9" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:291.75pt;
1165 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1166 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1167  o:title=""/>
1168</v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518
1169src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1170v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p>
1171
1172<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1173
1174<p class=MsoNormal><span style='mso-no-proof:yes'>NB: we will not be needing to
1175select the </span><b style='mso-bidi-font-weight:normal'><span
1176style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1177mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Material</span></b><span
1178style='mso-no-proof:yes'> for this analysis; material selection is only
1179required for </span><b style='mso-bidi-font-weight:normal'><span
1180style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1181mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size distribution</span></b><span
1182style='mso-no-proof:yes'> analysis. Notice that the last three column names can
1183be changed; pick the first one and change it to </span><b style='mso-bidi-font-weight:
1184normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1185minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>fraction</span></b><span
1186style='mso-no-proof:yes'>. Then enter </span><b style='mso-bidi-font-weight:
1187normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1188minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>0.01</span></b><span
1189style='mso-no-proof:yes'> which corresponds to the ‘</span><b style='mso-bidi-font-weight:
1190normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1191minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1pct</span></b><span
1192style='mso-no-proof:yes'>’ in the file name. The data window should look like<o:p></o:p></span></p>
1193
1194<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1195 id="Picture_x0020_10" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:291.75pt;
1196 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1197 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1198  o:title=""/>
1199</v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518
1200src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1201v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p>
1202
1203<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1204
1205<p class=MsoNormal><span style='mso-no-proof:yes'>Now do the same for the </span><b
1206style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1207mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1208yes'>Sample Parameters</span></b><span style='mso-no-proof:yes'> for the other
1209data sets putting in the correct fraction from the respective file names. If
1210you first </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1211"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1212minor-latin;mso-no-proof:yes'>Copy</span></b><span style='mso-no-proof:yes'>
1213this one to the others, that will save you the step of changing the names. You
1214will end up on the </span><b style='mso-bidi-font-weight:normal'><span
1215style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1216mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Sample parameters</span></b><span
1217style='mso-no-proof:yes'> page for </span><b style='mso-bidi-font-weight:normal'><span
1218style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1219mso-hansi-theme-font:minor-latin'>SASD S53_Ludox6_40pct.dat </span></b>GSAS-II
1220data tree.</p>
1221
1222<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1223 id="_x0000_i1044" type="#_x0000_t75" style='width:291.75pt;height:388.5pt;
1224 visibility:visible;mso-wrap-style:square'>
1225 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1226  o:title=""/>
1227</v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518
1228src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1229v:shapes="_x0000_i1044"><![endif]></span><span
1230style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><o:p></o:p></span></p>
1231
1232<h2>Step 5: Set Model parameters </h2>
1233
1234<p class=MsoNormal>Looking at the data plot (<span class=GramE>key ‘<b
1235style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1236mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>’</span>
1237to select a single data set) for <b style='mso-bidi-font-weight:normal'><span
1238style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1239mso-hansi-theme-font:minor-latin'>SASD S53_Ludox6_40pct.dat</span></b>, one
1240sees just one feature with oscillations at higher Q. This is the signal for a
1241non-dilute <span class=SpellE>scatterer</span>. </p>
1242
1243<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1244 id="Picture_x0020_21" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:525pt;
1245 height:450pt;visibility:visible;mso-wrap-style:square'>
1246 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1247  o:title=""/>
1248</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1249src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1250v:shapes="Picture_x0020_21"><![endif]></span></p>
1251
1252<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1253
1254<p class=MsoNormal>In the data window switch <b style='mso-bidi-font-weight:
1255normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1256minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b> to <b
1257style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1258mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>,
1259and add a reasonable value (<b style='mso-bidi-font-weight:normal'><span
1260style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1261mso-hansi-theme-font:minor-latin'>0.25</span></b>) for the <b style='mso-bidi-font-weight:
1262normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1263minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>; a
1264horizontal red line will appear. Next do <b style='mso-bidi-font-weight:normal'><span
1265style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1266mso-hansi-theme-font:minor-latin'>Models/Add</span></b>; the window will
1267display a default component; change the <b style='mso-bidi-font-weight:normal'><span
1268style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1269mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1270normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1271minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>. Also change
1272the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1273mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Matrix</span></b>
1274to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1275mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Water</span></b>;
1276the calculated contrast should be 175.60 10<sup>20</sup>cm<sup>-4</sup>. The
1277plot will show a green curve corresponding to the default values.</p>
1278
1279<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1280 id="Picture_x0020_37" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
1281 height:450pt;visibility:visible;mso-wrap-style:square'>
1282 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1283  o:title=""/>
1284</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1285src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1286v:shapes="Picture_x0020_37"><![endif]></span></p>
1287
1288<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1289
1290<p class=MsoNormal>The default <span class=SpellE><b style='mso-bidi-font-weight:
1291normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1292minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1293style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1294mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1295of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1296mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1e+03</span></b>
1297is too large, try something smaller and increase the <span class=SpellE><b
1298style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1299mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1300style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1301mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1302(the sliders work well for this). Since this is a non-dilute system, change the
1303<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1304mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Structure
1305factor</span></b> to <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1306style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1307mso-hansi-theme-font:minor-latin'>Hard</span></b></span><b style='mso-bidi-font-weight:
1308normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1309minor-latin;mso-hansi-theme-font:minor-latin'> sphere</span></b> and set the <b
1310style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1311mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span
1312class=SpellE>VolFr</span></span></b> to <b style='mso-bidi-font-weight:normal'><span
1313style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1314mso-hansi-theme-font:minor-latin'>0.4</span></b>. Your data window should look
1315something like</p>
1316
1317<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1318 id="Picture_x0020_38" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:384.75pt;
1319 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1320 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1321  o:title=""/>
1322</v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478
1323src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1324v:shapes="Picture_x0020_38"><![endif]></span></p>
1325
1326<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1327
1328<p class=MsoNormal>And the plot will be</p>
1329
1330<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1331 id="Picture_x0020_39" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1332 height:450pt;visibility:visible;mso-wrap-style:square'>
1333 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1334  o:title=""/>
1335</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1336src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1337v:shapes="Picture_x0020_39"><![endif]></span><br clear=all style='mso-special-character:
1338line-break'>
1339</p>
1340
1341<p class=MsoNormal>The calculated curve shows oscillations but they are not in
1342the right place and are too broad. Try the <span class=SpellE><b
1343style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1344mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1345style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1346mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1347class=SpellE>StdDev</span></span></b> slider and make it smaller; somewhere
1348about <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1349mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.132</span></b>
1350gives a curve with the right shape but too high. Reduce the <span class=SpellE><b
1351style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1352mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1353style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1354mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1355to improve the match. Shift the <b style='mso-bidi-font-weight:normal'><span
1356style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1357mso-hansi-theme-font:minor-latin'>SF <span class=SpellE>Dist</span></span></b>
1358and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1359mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span
1360class=SpellE>VolFr</span></span></b> as well to get the curves to match.
1361Carefully manipulate each of the sliders to see what effect they have on the
1362calculated curve. With some adjustments I got</p>
1363
1364<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1365 id="Picture_x0020_40" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt;
1366 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1367 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1368  o:title=""/>
1369</v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478
1370src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1371v:shapes="Picture_x0020_40"><![endif]></span></p>
1372
1373<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1374
1375<p class=MsoNormal><span class=GramE>to</span> give a pretty nice initial fit.</p>
1376
1377<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1378 id="Picture_x0020_41" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1379 height:450pt;visibility:visible;mso-wrap-style:square'>
1380 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1381  o:title=""/>
1382</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1383src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1384v:shapes="Picture_x0020_41"><![endif]></span></p>
1385
1386<h2>Step 6: Initial refinement</h2>
1387
1388<p class=MsoNormal>We can be brave and set all six <b style='mso-bidi-font-weight:
1389normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1390minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span
1391class=GramE>boxes</span> (NB: the one for <b style='mso-bidi-font-weight:normal'><span
1392style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1393mso-hansi-theme-font:minor-latin'>Matrix Volume fraction</span></b> currently
1394does not operate – ignore it). Then do <b style='mso-bidi-font-weight:normal'><span
1395style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1396mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; the least squares very
1397quickly minimizes to give</p>
1398
1399<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1400 id="Picture_x0020_42" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:384.75pt;
1401 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1402 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1403  o:title=""/>
1404</v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478
1405src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1406v:shapes="Picture_x0020_42"><![endif]></span></p>
1407
1408<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1409
1410<p class=MsoNormal>The console window lists the results</p>
1411
1412<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1413 id="Picture_x0020_43" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:549.75pt;
1414 height:152.25pt;visibility:visible;mso-wrap-style:square'>
1415 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1416  o:title=""/>
1417</v:shape><![endif]--><![if !vml]><img border=0 width=733 height=203
1418src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1419v:shapes="Picture_x0020_43"><![endif]></span></p>
1420
1421<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1422
1423<p class=MsoNormal>And the plot shows the fit graphically</p>
1424
1425<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1426 id="Picture_x0020_44" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
1427 height:450pt;visibility:visible;mso-wrap-style:square'>
1428 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1429  o:title=""/>
1430</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1431src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1432v:shapes="Picture_x0020_44"><![endif]></span></p>
1433
1434<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1435
1436<p class=MsoNormal>The fit is OK except for a region Q~0.03Å<sup>-1</sup>; this
1437is probably due to a failure of the simple hard sphere model in this
1438concentrated system.</p>
1439
1440<h2>Step 7: Sequential refinement</h2>
1441
1442<p class=MsoNormal>We are now ready to try a sequential refinement starting
1443with this fit for the 1<sup>st</sup> data set. <span class=GramE>Do</span> <b
1444style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1445mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Sequential
1446fit</span></b>; a dialog box will appear for selection of the data sets.</p>
1447
1448<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1449 id="Picture_x0020_31" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:240pt;
1450 height:232.5pt;visibility:visible;mso-wrap-style:square'>
1451 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1452  o:title=""/>
1453</v:shape><![endif]--><![if !vml]><img border=0 width=320 height=310
1454src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1455v:shapes="Picture_x0020_31"><![endif]></span></p>
1456
1457<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1458
1459<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1460style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1461mso-hansi-theme-font:minor-latin'>Set <span class=GramE>All</span></span></b>,
1462all boxes will be checked showing selection of the data sets. Then press <b
1463style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1464mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1465a new dialog box will appear</p>
1466
1467<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1468 id="Picture_x0020_33" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:259.5pt;
1469 height:252pt;visibility:visible;mso-wrap-style:square'>
1470 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1471  o:title=""/>
1472</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
1473src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1474v:shapes="Picture_x0020_33"><![endif]></span></p>
1475
1476<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1477
1478<p class=MsoNormal>This allows you to instruct the sequential refinement to
1479start at the last data set and proceed backwards through them (<b
1480style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1481mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reverse
1482sequence</span></b>). It also allows you to instruct the sequential refinement
1483to use the current parameters as starting values for the next data set. This
1484works in either direction and facilitates the initial sequential refinements.
1485NB: some sequential refinements do not work well in both directions; in this
1486particular case starting with a fitted 1% pattern and going in reverse through
1487the data fails on the 5% data set. Apparently the change in parameters is too
1488great for the least squares to handle; going in the forward direction works
1489just fine (as you will see next). Select <b style='mso-bidi-font-weight:normal'><span
1490style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1491mso-hansi-theme-font:minor-latin'>Copy from prev.</span></b> and press <b
1492style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1493mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1494the sequential refinement will <span class=GramE>proceed</span> very rapidly
1495displaying results for each data set on the console and finally ending by
1496displaying the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1497"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1498minor-latin'>Sequential results.<o:p></o:p></span></b></p>
1499
1500<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1501 id="Picture_x0020_45" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1502 height:262.5pt;visibility:visible;mso-wrap-style:square'>
1503 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1504  o:title=""/>
1505</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=350
1506src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1507v:shapes="Picture_x0020_45"><![endif]></span></p>
1508
1509<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1510
1511<p class=MsoNormal>Note the comment in the plot status bar: double click on the
1512<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1513mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1514class=GramE>:Volume</span></span></b> and a new plot will appear.</p>
1515
1516<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1517 id="Picture_x0020_35" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
1518 height:450pt;visibility:visible;mso-wrap-style:square'>
1519 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1520  o:title=""/>
1521</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1522src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1523v:shapes="Picture_x0020_35"><![endif]></span></p>
1524
1525<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1526
1527<p class=MsoNormal>Each point has an error bar extracted from the least squares
1528– it represents a 1 &#963; variation in the value. Now press the <b
1529style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1530mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>
1531key (or select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1532"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1533minor-latin'>s</span></b> from the <b style='mso-bidi-font-weight:normal'><span
1534style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1535mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear
1536with a selection of parameters to plot along the x-axis. Select <b
1537style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1538mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b>
1539and the plot will be redrawn (it may require selection of another column &amp;
1540then <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1541mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1542class=GramE>:Volume</span></span></b> to make it appear).</p>
1543
1544<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1545 id="Picture_x0020_46" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt;
1546 height:450pt;visibility:visible;mso-wrap-style:square'>
1547 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1548  o:title=""/>
1549</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1550src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1551v:shapes="Picture_x0020_46"><![endif]></span></p>
1552
1553<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1554
1555<p class=MsoNormal>It is gratifying how this relation between Volume and the
1556composition is linear. You can now determine the slope &amp; intercept (or fit
1557to some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight:
1558normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1559minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add function</span></b>
1560and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1561mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
1562Editor</span></b> dialog box will appear.</p>
1563
1564<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1565 id="Picture_x0020_47" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt;
1566 height:225pt;visibility:visible;mso-wrap-style:square'>
1567 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1568  o:title=""/>
1569</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300
1570src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1571v:shapes="Picture_x0020_47"><![endif]></span></p>
1572
1573<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1574
1575<p class=MsoNormal>The pull down in the upper left corner has two choices;
1576select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1577mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Hist<span
1578class=GramE>./</span>Phase</span></b> and a new dialog box will appear giving
1579you choices from the <b style='mso-bidi-font-weight:normal'><span
1580style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1581mso-hansi-theme-font:minor-latin'>Sequential results</span></b> table. Select <b
1582style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1583mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1584class=GramE>:Volume</span></span></b> and the <b style='mso-bidi-font-weight:
1585normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1586minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1587reappear.</p>
1588
1589<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1590 id="Picture_x0020_48" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:465pt;
1591 height:225pt;visibility:visible;mso-wrap-style:square'>
1592 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1593  o:title=""/>
1594</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300
1595src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1596v:shapes="Picture_x0020_48"><![endif]></span></p>
1597
1598<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1599
1600<p class=MsoNormal>Next enter the function you wish to use in fitting <b
1601style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1602mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1603class=GramE>:Volume</span></span></b>; enter <b style='mso-bidi-font-weight:
1604normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1605minor-latin;mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b>
1606(equation for a straight line). After a pause, the <b style='mso-bidi-font-weight:
1607normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1608minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1609be redrawn allowing you to assign <b style='mso-bidi-font-weight:normal'><span
1610style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1611mso-hansi-theme-font:minor-latin'>b</span></b>, <b style='mso-bidi-font-weight:
1612normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1613minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> &amp; <b
1614style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1615mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>.</p>
1616
1617<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1618 id="Picture_x0020_49" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt;
1619 height:225pt;visibility:visible;mso-wrap-style:square'>
1620 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1621  o:title=""/>
1622</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300
1623src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1624v:shapes="Picture_x0020_49"><![endif]></span></p>
1625
1626<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1627
1628<p class=MsoNormal>For <b style='mso-bidi-font-weight:normal'><span
1629style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1630mso-hansi-theme-font:minor-latin'>b</span></b> &amp; <b style='mso-bidi-font-weight:
1631normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1632minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> select <span
1633class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1634"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1635minor-latin'>Free</span></b></span>; these will be the parameters for your fit.
1636For <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1637mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>
1638select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1639mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>;
1640a new dialog box will appear giving you two choices.</p>
1641
1642<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1643 id="Picture_x0020_50" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468.75pt;
1644 height:187.5pt;visibility:visible;mso-wrap-style:square'>
1645 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1646  o:title=""/>
1647</v:shape><![endif]--><![if !vml]><img border=0 width=625 height=250
1648src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1649v:shapes="Picture_x0020_50"><![endif]></span></p>
1650
1651<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1652
1653<p class=MsoNormal>Select the 2<sup>nd</sup> line (<b style='mso-bidi-font-weight:
1654normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1655minor-latin;mso-hansi-theme-font:minor-latin'>fraction…</span></b>); it will
1656appear in blue. Then press <b style='mso-bidi-font-weight:normal'><span
1657style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1658mso-hansi-theme-font:minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight:
1659normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1660minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1661reappear with more information.</p>
1662
1663<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1664 id="Picture_x0020_51" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:465pt;
1665 height:225pt;visibility:visible;mso-wrap-style:square'>
1666 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
1667  o:title=""/>
1668</v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300
1669src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
1670v:shapes="Picture_x0020_51"><![endif]></span></p>
1671
1672</div>
1673
1674</body>
1675
1676</html>
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