source: Tutorials/SAfit/Fitting Small Angle Scattering Data.htm @ 1705

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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";
848        mso-ascii-font-family:Calibri;
849        mso-ascii-theme-font:minor-latin;
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852table.MsoTableGrid
853        {mso-style-name:"Table Grid";
854        mso-tstyle-rowband-size:0;
855        mso-tstyle-colband-size:0;
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857        mso-style-unhide:no;
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862        mso-border-insidev:.5pt solid windowtext;
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866        font-size:10.0pt;
867        font-family:"Calibri","sans-serif";
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869        mso-ascii-theme-font:minor-latin;
870        mso-hansi-font-family:Calibri;
871        mso-hansi-theme-font:minor-latin;}
872</style>
873<![endif]--><!--[if gte mso 9]><xml>
874 <o:shapedefaults v:ext="edit" spidmax="1026"/>
875</xml><![endif]--><!--[if gte mso 9]><xml>
876 <o:shapelayout v:ext="edit">
877  <o:idmap v:ext="edit" data="1"/>
878 </o:shapelayout></xml><![endif]-->
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>Fitting</strong><strong><span style='mso-bidi-font-weight:normal'>
886Small Angle X-Ray Data – Alumina Powder</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 small angle scattering data for an alumina polishing
890powder using data from a constant wavelength synchrotron X-ray USAXS
891instrument. You will use both a lognormal distribution of spherical particles
892model and a unified <span class=SpellE>Guinier-Porod</span> model. The data
893were collected from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
894minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders
895spread onto sticky tape and covered with another layer of the same tape. The
896data were corrected for background using data collected from two layers of
897sticky tape. However, the sample thickness is not</span> accurately known <span
898style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
899mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not
900calibrated on an absolute scale.<o:p></o:p></span></p>
901
902<p class=MsoNormal>If you have not done so already, <a
903href="Starting%20GSAS.htm">start GSAS-II</a>.</p>
904
905<h2>Step 1: read in the data file</h2>
906
907<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
908style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
909style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>If
910you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight:
911normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
912minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
913tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family:
914"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
915minor-latin'>File/Open project…</span></b> menu item to retrieve the data;
916plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b
917style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
918mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span
919style='mso-element:field-begin'></span><span
920style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span
921style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
922style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
923mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 2: Set
924Limits<!--[if gte mso 9]><xml>
925 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data>
926</xml><![endif]--></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
927normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
928minor-latin;mso-hansi-theme-font:minor-latin'><span style='mso-element:field-end'></span></span></b><![endif]-->.
929Otherwise, use the <b style='mso-bidi-font-weight:normal'><span
930style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
931mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
932minor-latin'>Import/Small Angle Data/from a q step QIE data file</span></b>
933menu item to read the data file into GSAS-II. This read option is set to read
934three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>,
935intensity and estimated standard deviation in intensity; there may be a header
936with metadata information in the front of this file.<span
937style='mso-spacerun:yes'>  </span>Change the file directory to <b
938style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
939mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
940Calibri;mso-bidi-theme-font:minor-latin'>Exercises/Small angle</span></b><span
941style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
942mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
943minor-latin'> to find the file</span>; you will have to select the <b
944style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
945mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file
946(*.*)</span></b> filter to see it.</p>
947
948<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
949style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
950style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
951the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
952mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
953Calibri;mso-bidi-theme-font:minor-latin'>alumina data.dat</span></b><span
954style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
955mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
956minor-latin'> data</span> file in the first dialog and press <b
957style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
958mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
959Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
960Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span
961style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
962mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
963minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
964style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
965mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
966minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
967style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
968mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
969Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
970proceed.</p>
971
972<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
973style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
974mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
975minor-latin'>GSAS-II data tree</span></b> window will have several entries and
976the plot window will show the SASD pattern as a log-log plot of intensity vs. Q</p>
977
978<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
979 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
980 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
981 <v:stroke joinstyle="miter"/>
982 <v:formulas>
983  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
984  <v:f eqn="sum @0 1 0"/>
985  <v:f eqn="sum 0 0 @1"/>
986  <v:f eqn="prod @2 1 2"/>
987  <v:f eqn="prod @3 21600 pixelWidth"/>
988  <v:f eqn="prod @3 21600 pixelHeight"/>
989  <v:f eqn="sum @0 0 1"/>
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991  <v:f eqn="prod @7 21600 pixelWidth"/>
992  <v:f eqn="sum @8 21600 0"/>
993  <v:f eqn="prod @7 21600 pixelHeight"/>
994  <v:f eqn="sum @10 21600 0"/>
995 </v:formulas>
996 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
997 <o:lock v:ext="edit" aspectratio="t"/>
998</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75"
999 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1000 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png"
1001  o:title=""/>
1002</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1003src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1004
1005<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1006
1007<p class=MsoNormal>For this step we will reposition the limits to exclude only
1008the last point in the pattern as it does appear to be somewhat suspect (see
1009plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1010"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1011minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span
1012style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1013mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the
1014GSAS-II tree. Set the upper limit using the cursor on the plot by picking the
1015next-to-last point on the curve with the left or right mouse button. The limits
1016window should look like</p>
1017
1018<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1019 id="Picture_x0020_15" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:225pt;
1020 height:195pt;visibility:visible;mso-wrap-style:square'>
1021 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png"
1022  o:title=""/>
1023</v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260
1024src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png" v:shapes="Picture_x0020_15"><![endif]></span><span
1025style='mso-spacerun:yes'> </span></p>
1026
1027<h2>Step 3 Select the scattering substances for your sample</h2>
1028
1029<p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this
1030step in the </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'>Size Distribution</span></b><span
1033style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b
1034style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1035mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1036yes'><span style='mso-element:field-begin'></span><span
1037style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span
1038style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1039style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1040mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4
1041Creation and Refinement of Log Normal Particle Model<span style='mso-no-proof:
1042yes'><!--[if gte mso 9]><xml>
1043 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data>
1044</xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1045normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1046minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span
1047style='mso-element:field-end'></span></span></b><![endif]--><span
1048style='mso-no-proof:yes'>. Two substances need to be defined for your sample to
1049give the anticipated scattering contrast; in this case one is alumina and the
1050other is “vacuum” (really air). Parameters for a number of substances are
1051defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1052style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1053mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1054style='mso-no-proof:yes'>. You can add your own substances to this or better
1055put them in </span><b style='mso-bidi-font-weight:normal'><span
1056style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1057mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1058style='mso-no-proof:yes'>; this is read after Substances.py when you load
1059substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1060normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1061minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> under <b
1062style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1063mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1064data.dat</span></b> from the GSAS-II tree. Then do <b style='mso-bidi-font-weight:
1065normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1066minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance
1067from the menu; a popup window will appear with possible selections</p>
1068
1069<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1070 id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt;
1071 height:252pt;visibility:visible;mso-wrap-style:square'>
1072 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png"
1073  o:title=""/>
1074</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336
1075src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1076
1077<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1078
1079<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1080style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1081mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <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'>OK</span></b>;
1084the relevant data for alumina (and vacuum) are displayed next</p>
1085
1086<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1087 id="Picture_x0020_4" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:259.5pt;
1088 height:195pt;visibility:visible;mso-wrap-style:square'>
1089 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png"
1090  o:title=""/>
1091</v:shape><![endif]--><![if !vml]><img border=0 width=346 height=260
1092src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span><span
1093style='mso-spacerun:yes'> </span></p>
1094
1095<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1096
1097<p class=MsoNormal>If desired you can load/add as many substances as you desire
1098into this list; you can also delete any of them (except vacuum). The
1099composition, volume occupied by the atoms in the composition and the density
1100are given for each substance. These can each be edited; the other values will
1101change accordingly. If your substance isn’t in the list, you can <b
1102style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1103mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
1104substance</span></b> to create a new one (you will be asked for a name and the
1105set of elements in two successive popup windows). From this information the
1106scattering density and that as affected by resonant scattering for the listed
1107wavelength is displayed (the wavelength can be changed in the <b
1108style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1109mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
1110Parameters</span></b> GSAS-II tree item if needed). The resonant scattering
1111value is used for contrast calculations.</p>
1112
1113<h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark:
1114_Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation
1115and Refinement of Log Normal Particle Model</span></h2>
1116
1117<p class=MsoNormal>You are now ready to attempt fitting the data with a log
1118normal distribution of spherical particles. Thus you’ll need to select <b
1119style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1120mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1121under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1122mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1123data.dat</span></b> from the GSAS-II tree; the data window will display the <b
1124style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1125mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b>
1126display;<span style='mso-no-proof:yes'> </span>change this to <b
1127style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1128mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>
1129using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1130mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b>
1131pull down. NB: GSAS-II will remember your selection the next time you enter
1132this <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1133mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1134data tree item.</p>
1135
1136<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1137 id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:379.5pt;
1138 height:142.5pt;visibility:visible;mso-wrap-style:square'>
1139 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png"
1140  o:title=""/>
1141</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=190
1142src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
1143
1144<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1145
1146<p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span
1147style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1148mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you
1149would know that there were two populations of particles in the sample. One had
1150a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will
1151also need something to describe the very lowest Q portion of the data. Do <b
1152style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1153mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1154from the menu; the data window will change and the plots will be refreshed.
1155Your first step is to change the <b style='mso-bidi-font-weight:normal'><span
1156style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1157mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1158normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1159minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure
1160the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1161mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1162is something reasonable (<b style='mso-bidi-font-weight:normal'><span
1163style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1164mso-hansi-theme-font:minor-latin'>0.11</span></b>) based on the data at highest
1165Q; again the data window and plots will be refreshed.</p>
1166
1167<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1168 id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:379.5pt;
1169 height:315pt;visibility:visible;mso-wrap-style:square'>
1170 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png"
1171  o:title=""/>
1172</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=420
1173src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_17"><![endif]></span></p>
1174
1175<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1176
1177<p class=MsoNormal>The data plot shows a horizontal red line for the background
1178and a green one calculated from your selected model. </p>
1179
1180<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1181 id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;
1182 height:450pt;visibility:visible;mso-wrap-style:square'>
1183 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png"
1184  o:title=""/>
1185</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1186src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_18"><![endif]></span></p>
1187
1188<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1189
1190<p class=MsoNormal>You can manually adjust the calculated curve by using the
1191sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1192style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1193mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1194normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1195minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span
1196class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1197"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1198minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1199style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1200mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span
1201class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1202"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1203minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1204style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1205mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is
1206roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1207"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1208minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of
1209magnitude; their range is reset if a value is entered in the value field. After
1210changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1211style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1212mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1213normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1214minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b
1215style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1216mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b>
1217and <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1220normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1221minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> to <b
1222style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1223mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b>
1224my plot is</p>
1225
1226<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1227 id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1228 height:450pt;visibility:visible;mso-wrap-style:square'>
1229 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png"
1230  o:title=""/>
1231</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1232src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="Picture_x0020_19"><![endif]></span></p>
1233
1234<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1235
1236<p class=MsoNormal>There is an obvious discrepancy at low Q and a much less
1237obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å
1238peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1239"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1240minor-latin'>Size Distribution</span></b> result. Do another <b
1241style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1242mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1243to include it. The data window now shows two components</p>
1244
1245<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1246 id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:379.5pt;
1247 height:487.5pt;visibility:visible;mso-wrap-style:square'>
1248 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png"
1249  o:title=""/>
1250</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=650
1251src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
1252
1253<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1254
1255<p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span
1256style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1257mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset
1258to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1259mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b>
1260to save you the easily forgotten step of setting it. Change <span class=SpellE><b
1261style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1262mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1263style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1264mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1265to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1266mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b>
1267(i.e. œ of 150) and reduce <span class=SpellE><b style='mso-bidi-font-weight:
1268normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1269minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1270style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1271mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1272to make the green curve better match the data (you can inset ‘<b
1273style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1274mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0</span></b>’s
1275in the value &amp; play with the slider – something like <b style='mso-bidi-font-weight:
1276normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1277minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My
1278fit looked like</p>
1279
1280<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1281 id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1282 height:450pt;visibility:visible;mso-wrap-style:square'>
1283 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png"
1284  o:title=""/>
1285</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1286src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_21"><![endif]></span></p>
1287
1288<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1289
1290<p class=MsoNormal>Finally we need to deal with the low Q region – this is
1291probably due to some agglomeration of the 1300Å articles which is best
1292described by a pure <span class=SpellE>Porod</span> power law scattering model.
1293Do another <b style='mso-bidi-font-weight:normal'><span style='font-family:
1294"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1295minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight:
1296normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1297minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection
1298to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1299style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1300mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component
1301is then (I’ve shrunk the window &amp; moved the scroll bar).</p>
1302
1303<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1304 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:379.5pt;
1305 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1306 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png"
1307  o:title=""/>
1308</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=361
1309src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
1310
1311<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1312
1313<p class=MsoNormal>The green curve on the plot looks very poor</p>
1314
1315<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1316 id="Picture_x0020_23" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
1317 height:450pt;visibility:visible;mso-wrap-style:square'>
1318 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png"
1319  o:title=""/>
1320</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1321src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="Picture_x0020_23"><![endif]></span></p>
1322
1323<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1324
1325<p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span>
1326component variables. Remembering that this is likely to be an agglomeration of
13271300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight:
1328normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1329minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1330style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1331mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b>
1332to that value. That immediately restores the higher Q portion of the fit.</p>
1333
1334<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1335 id="Picture_x0020_24" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
1336 height:450pt;visibility:visible;mso-wrap-style:square'>
1337 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png"
1338  o:title=""/>
1339</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1340src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
1341
1342<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1343
1344<p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight:
1345normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1346minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1347style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1348mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1349(power law exponent) slider to adjust the fit. In this case setting <span
1350class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1351"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1352minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1353style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1354mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight:
1355normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1356minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty
1357good fit without needing to adjust the <span class=SpellE><b style='mso-bidi-font-weight:
1358normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1359minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1360style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1361mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b>
1362<span class=SpellE>prefactor</span>.</p>
1363
1364<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1365 id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
1366 height:450pt;visibility:visible;mso-wrap-style:square'>
1367 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png"
1368  o:title=""/>
1369</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1370src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
1371
1372<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1373
1374<p class=MsoNormal>Finally, you can refine these coefficients to find the best fit
1375to the data. As a beginner, I’d start by refining just the two <span
1376class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1377"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1378minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1379style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1380mso-hansi-theme-font:minor-latin'> Volume</span></b> and the <span
1381class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1382"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1383minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1384style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1385mso-hansi-theme-font:minor-latin'> B</span></b> along with the <b
1386style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1387mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1388parameters (one might be able to refine “everything” at once, but then again it
1389might not work). Check the <b style='mso-bidi-font-weight:normal'><span
1390style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1391mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span>
1392for these parameters. Do <b style='mso-bidi-font-weight:normal'><span
1393style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1394mso-hansi-theme-font:minor-latin'>Models/Fit </span></b>to do the least squares
1395refinement; convergence will occur very quickly. NB: if the refinement messes
1396up, you can recover the previous result; do <b style='mso-bidi-font-weight:
1397normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1398minor-latin;mso-hansi-theme-font:minor-latin'>Models/Undo</span></b> to
1399recover. Then add the two <span class=SpellE><b style='mso-bidi-font-weight:
1400normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1401minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1402style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1403mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1404and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1405style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1406mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1407normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1408minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the
1409refinement, again convergence is easily obtained. Finally, add the two <span
1410class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1411"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1412minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1413style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1414mso-hansi-theme-font:minor-latin'> <span class=SpellE>StdDev</span></span></b>
1415and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1416style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1417mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1418normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1419minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> parameters (a
1420total of ten) to the list. The result is a really nice fit to the data with
1421reasonable values; the console window shows the full results of the refinement</p>
1422
1423<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1424 id="Picture_x0020_28" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:549.75pt;
1425 height:206.25pt;visibility:visible;mso-wrap-style:square'>
1426 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png"
1427  o:title=""/>
1428</v:shape><![endif]--><![if !vml]><img border=0 width=733 height=275
1429src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1430
1431<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1432
1433<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1434 id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1435 height:450pt;visibility:visible;mso-wrap-style:square'>
1436 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png"
1437  o:title=""/>
1438</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1439src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
1440
1441<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1442
1443<p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span
1444style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1445mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these
1446results are plotted as component curves on that plot as well</p>
1447
1448<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1449 id="Picture_x0020_29" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
1450 height:450pt;visibility:visible;mso-wrap-style:square'>
1451 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png"
1452  o:title=""/>
1453</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1454src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
1455
1456<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1457
1458<p class=MsoNormal>This is the sort of agreement one should expect between the
1459best log normal fit and the size distribution. To save these results you must
1460do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1461mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1462project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1463style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1464mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1465
1466<h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2>
1467
1468<p class=MsoNormal>For the Unified model there is assumed to be particles with
1469some radius of gyration (<span class=SpellE>Guinier</span> model) with a power
1470law distribution tail (<span class=SpellE>Porod</span> model). This can be set
1471for your model by changing the <b style='mso-bidi-font-weight:normal'><span
1472style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1473mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two
1474components to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1475"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1476minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost
1477by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight:
1478normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1479minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span
1480class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1481"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1482minor-latin'>LogNormal</span></b></span>. The data window values give the
1483defaults for these components</p>
1484
1485<p class=MsoNormal><span style='mso-no-proof:yes'><span
1486style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_30"
1487 o:spid="_x0000_i1030" type="#_x0000_t75" style='width:379.5pt;height:546pt;
1488 visibility:visible;mso-wrap-style:square'>
1489 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png"
1490  o:title=""/>
1491</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=728
1492src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1493
1494<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1495
1496<p class=MsoNormal>And the plot shows a poor fit</p>
1497
1498<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1499 id="Picture_x0020_31" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
1500 height:450pt;visibility:visible;mso-wrap-style:square'>
1501 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png"
1502  o:title=""/>
1503</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1504src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1505
1506<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1507
1508<p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight:
1509normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1510minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1511style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1512mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1513class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight:
1514normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1515minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1516results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1517"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1518minor-latin'>700</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
1519style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1520mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span
1521class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1522"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1523minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1524style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1525mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span
1526class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1527"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1528minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1529style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1530mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700
1531one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1532mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>.
1533Next, change the <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1536normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1537minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span
1538class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1539"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1540minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1541style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1542mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b>
1543one to be about the Intensity value for the lower Q bump in the data (~<b
1544style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1545mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>).
1546Finally, reduce the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1547style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1548mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1549normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1550minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> value for the <span
1551class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1552"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1553minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1554style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1555mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b>
1556component to get the best fit to the data (~<b style='mso-bidi-font-weight:
1557normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1558minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window
1559looks like</p>
1560
1561<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1562 id="Picture_x0020_32" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:379.5pt;
1563 height:546pt;visibility:visible;mso-wrap-style:square'>
1564 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png"
1565  o:title=""/>
1566</v:shape><![endif]--><![if !vml]><img border=0 width=506 height=728
1567src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
1568
1569<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1570
1571<p class=MsoNormal>And the plot looks like</p>
1572
1573<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1574 id="Picture_x0020_33" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
1575 height:450pt;visibility:visible;mso-wrap-style:square'>
1576 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png"
1577  o:title=""/>
1578</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1579src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
1580
1581<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1582
1583<p class=MsoNormal>This is probably close enough to do a refinement. Select <b
1584style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1585mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
1586For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1587style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1588mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1589normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1590minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span
1591class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1592"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1593minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1594style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1595mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span
1596class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1597"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1598minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1599style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1600mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span
1601class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1602"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1603minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1604style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1605mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b
1606style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1607mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1608style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1609mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1610and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1611mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background
1612Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight:
1613normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1614minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should
1615rapidly converge to give in the console window</p>
1616
1617<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1618 id="Picture_x0020_34" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:549.75pt;
1619 height:206.25pt;visibility:visible;mso-wrap-style:square'>
1620 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png"
1621  o:title=""/>
1622</v:shape><![endif]--><![if !vml]><img border=0 width=733 height=275
1623src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
1624
1625<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1626
1627<p class=MsoNormal>And the closeness of the fit to the data in the plot is</p>
1628
1629<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1630 id="Picture_x0020_35" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
1631 height:450pt;visibility:visible;mso-wrap-style:square'>
1632 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png"
1633  o:title=""/>
1634</v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600
1635src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
1636
1637<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1638
1639<p class=MsoNormal>This fit is almost as close as the log normal one done
1640earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1641style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1642mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1643normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:
1644minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>
1645values are a bit less than the corresponding <span class=SpellE><b
1646style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1647mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1648style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1649mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1650values obtained earlier. Also note that this model makes no reference to the substance
1651contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span
1652style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1653mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not
1654have curves calculated from this model). To save these results you must do <b
1655style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
1656mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1657project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1658style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
1659mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1660
1661<p class=MsoNormal>This concludes the SASD modeling tutorial.</p>
1662
1663<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1664
1665<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1666
1667</div>
1668
1669</body>
1670
1671</html>
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