source: Tutorials/BkgFit/FitBkgTut.htm @ 1904

Last change on this file since 1904 was 1904, checked in by vondreele, 7 years ago

revised FitBkg?

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417  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 1"/>
418  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 1"/>
419  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 1"/>
420  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 1"/>
421  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 1"/>
422  <w:LsdException Locked="false" Priority="71" Name="Revision"/>
423  <w:LsdException Locked="false" Priority="72" QFormat="true"
424   Name="List Paragraph"/>
425  <w:LsdException Locked="false" Priority="73" QFormat="true" Name="Quote"/>
426  <w:LsdException Locked="false" Priority="60" QFormat="true"
427   Name="Intense Quote"/>
428  <w:LsdException Locked="false" Priority="61" Name="Medium List 2 Accent 1"/>
429  <w:LsdException Locked="false" Priority="62" Name="Medium Grid 1 Accent 1"/>
430  <w:LsdException Locked="false" Priority="63" Name="Medium Grid 2 Accent 1"/>
431  <w:LsdException Locked="false" Priority="64" Name="Medium Grid 3 Accent 1"/>
432  <w:LsdException Locked="false" Priority="65" Name="Dark List Accent 1"/>
433  <w:LsdException Locked="false" Priority="34" QFormat="true"
434   Name="Colorful List Accent 1"/>
435  <w:LsdException Locked="false" Priority="29" QFormat="true"
436   Name="Colorful Grid Accent 1"/>
437  <w:LsdException Locked="false" Priority="30" QFormat="true"
438   Name="Light Shading Accent 2"/>
439  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 2"/>
440  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 2"/>
441  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 2"/>
442  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 2"/>
443  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 2"/>
444  <w:LsdException Locked="false" Priority="71" Name="Medium List 2 Accent 2"/>
445  <w:LsdException Locked="false" Priority="72" Name="Medium Grid 1 Accent 2"/>
446  <w:LsdException Locked="false" Priority="73" Name="Medium Grid 2 Accent 2"/>
447  <w:LsdException Locked="false" Priority="60" Name="Medium Grid 3 Accent 2"/>
448  <w:LsdException Locked="false" Priority="61" Name="Dark List Accent 2"/>
449  <w:LsdException Locked="false" Priority="62" Name="Colorful Shading Accent 2"/>
450  <w:LsdException Locked="false" Priority="63" Name="Colorful List Accent 2"/>
451  <w:LsdException Locked="false" Priority="64" Name="Colorful Grid Accent 2"/>
452  <w:LsdException Locked="false" Priority="65" Name="Light Shading Accent 3"/>
453  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 3"/>
454  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 3"/>
455  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 3"/>
456  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 3"/>
457  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 3"/>
458  <w:LsdException Locked="false" Priority="71" Name="Medium List 2 Accent 3"/>
459  <w:LsdException Locked="false" Priority="72" Name="Medium Grid 1 Accent 3"/>
460  <w:LsdException Locked="false" Priority="73" Name="Medium Grid 2 Accent 3"/>
461  <w:LsdException Locked="false" Priority="60" Name="Medium Grid 3 Accent 3"/>
462  <w:LsdException Locked="false" Priority="61" Name="Dark List Accent 3"/>
463  <w:LsdException Locked="false" Priority="62" Name="Colorful Shading Accent 3"/>
464  <w:LsdException Locked="false" Priority="63" Name="Colorful List Accent 3"/>
465  <w:LsdException Locked="false" Priority="64" Name="Colorful Grid Accent 3"/>
466  <w:LsdException Locked="false" Priority="65" Name="Light Shading Accent 4"/>
467  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 4"/>
468  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 4"/>
469  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 4"/>
470  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 4"/>
471  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 4"/>
472  <w:LsdException Locked="false" Priority="71" Name="Medium List 2 Accent 4"/>
473  <w:LsdException Locked="false" Priority="72" Name="Medium Grid 1 Accent 4"/>
474  <w:LsdException Locked="false" Priority="73" Name="Medium Grid 2 Accent 4"/>
475  <w:LsdException Locked="false" Priority="60" Name="Medium Grid 3 Accent 4"/>
476  <w:LsdException Locked="false" Priority="61" Name="Dark List Accent 4"/>
477  <w:LsdException Locked="false" Priority="62" Name="Colorful Shading Accent 4"/>
478  <w:LsdException Locked="false" Priority="63" Name="Colorful List Accent 4"/>
479  <w:LsdException Locked="false" Priority="64" Name="Colorful Grid Accent 4"/>
480  <w:LsdException Locked="false" Priority="65" Name="Light Shading Accent 5"/>
481  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 5"/>
482  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 5"/>
483  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 5"/>
484  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 5"/>
485  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 5"/>
486  <w:LsdException Locked="false" Priority="71" Name="Medium List 2 Accent 5"/>
487  <w:LsdException Locked="false" Priority="72" Name="Medium Grid 1 Accent 5"/>
488  <w:LsdException Locked="false" Priority="73" Name="Medium Grid 2 Accent 5"/>
489  <w:LsdException Locked="false" Priority="60" Name="Medium Grid 3 Accent 5"/>
490  <w:LsdException Locked="false" Priority="61" Name="Dark List Accent 5"/>
491  <w:LsdException Locked="false" Priority="62" Name="Colorful Shading Accent 5"/>
492  <w:LsdException Locked="false" Priority="63" Name="Colorful List Accent 5"/>
493  <w:LsdException Locked="false" Priority="64" Name="Colorful Grid Accent 5"/>
494  <w:LsdException Locked="false" Priority="65" Name="Light Shading Accent 6"/>
495  <w:LsdException Locked="false" Priority="66" Name="Light List Accent 6"/>
496  <w:LsdException Locked="false" Priority="67" Name="Light Grid Accent 6"/>
497  <w:LsdException Locked="false" Priority="68" Name="Medium Shading 1 Accent 6"/>
498  <w:LsdException Locked="false" Priority="69" Name="Medium Shading 2 Accent 6"/>
499  <w:LsdException Locked="false" Priority="70" Name="Medium List 1 Accent 6"/>
500  <w:LsdException Locked="false" Priority="71" Name="Medium List 2 Accent 6"/>
501  <w:LsdException Locked="false" Priority="72" Name="Medium Grid 1 Accent 6"/>
502  <w:LsdException Locked="false" Priority="73" Name="Medium Grid 2 Accent 6"/>
503  <w:LsdException Locked="false" Priority="60" Name="Medium Grid 3 Accent 6"/>
504  <w:LsdException Locked="false" Priority="61" Name="Dark List Accent 6"/>
505  <w:LsdException Locked="false" Priority="62" Name="Colorful Shading Accent 6"/>
506  <w:LsdException Locked="false" Priority="63" Name="Colorful List Accent 6"/>
507  <w:LsdException Locked="false" Priority="64" Name="Colorful Grid Accent 6"/>
508  <w:LsdException Locked="false" Priority="65" QFormat="true"
509   Name="Subtle Emphasis"/>
510  <w:LsdException Locked="false" Priority="66" QFormat="true"
511   Name="Intense Emphasis"/>
512  <w:LsdException Locked="false" Priority="67" QFormat="true"
513   Name="Subtle Reference"/>
514  <w:LsdException Locked="false" Priority="68" QFormat="true"
515   Name="Intense Reference"/>
516  <w:LsdException Locked="false" Priority="69" QFormat="true" Name="Book Title"/>
517  <w:LsdException Locked="false" Priority="70" Name="Bibliography"/>
518  <w:LsdException Locked="false" Priority="71" SemiHidden="true"
519   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
520  <w:LsdException Locked="false" Priority="72" Name="Plain Table 1"/>
521  <w:LsdException Locked="false" Priority="73" Name="Plain Table 2"/>
522  <w:LsdException Locked="false" Priority="19" QFormat="true"
523   Name="Plain Table 3"/>
524  <w:LsdException Locked="false" Priority="21" QFormat="true"
525   Name="Plain Table 4"/>
526  <w:LsdException Locked="false" Priority="31" QFormat="true"
527   Name="Plain Table 5"/>
528  <w:LsdException Locked="false" Priority="32" QFormat="true"
529   Name="Grid Table Light"/>
530  <w:LsdException Locked="false" Priority="33" QFormat="true"
531   Name="Grid Table 1 Light"/>
532  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
533   UnhideWhenUsed="true" Name="Grid Table 2"/>
534  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
535   UnhideWhenUsed="true" QFormat="true" Name="Grid Table 3"/>
536  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
537  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
538  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
539  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
540  <w:LsdException Locked="false" Priority="46"
541   Name="Grid Table 1 Light Accent 1"/>
542  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
543  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
544  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
545  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
546  <w:LsdException Locked="false" Priority="51"
547   Name="Grid Table 6 Colorful Accent 1"/>
548  <w:LsdException Locked="false" Priority="52"
549   Name="Grid Table 7 Colorful Accent 1"/>
550  <w:LsdException Locked="false" Priority="46"
551   Name="Grid Table 1 Light Accent 2"/>
552  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
553  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
554  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
555  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
556  <w:LsdException Locked="false" Priority="51"
557   Name="Grid Table 6 Colorful Accent 2"/>
558  <w:LsdException Locked="false" Priority="52"
559   Name="Grid Table 7 Colorful Accent 2"/>
560  <w:LsdException Locked="false" Priority="46"
561   Name="Grid Table 1 Light Accent 3"/>
562  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
563  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
564  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
565  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
566  <w:LsdException Locked="false" Priority="51"
567   Name="Grid Table 6 Colorful Accent 3"/>
568  <w:LsdException Locked="false" Priority="52"
569   Name="Grid Table 7 Colorful Accent 3"/>
570  <w:LsdException Locked="false" Priority="46"
571   Name="Grid Table 1 Light Accent 4"/>
572  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
573  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
574  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
575  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
576  <w:LsdException Locked="false" Priority="51"
577   Name="Grid Table 6 Colorful Accent 4"/>
578  <w:LsdException Locked="false" Priority="52"
579   Name="Grid Table 7 Colorful Accent 4"/>
580  <w:LsdException Locked="false" Priority="46"
581   Name="Grid Table 1 Light Accent 5"/>
582  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
583  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
584  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
585  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
586  <w:LsdException Locked="false" Priority="51"
587   Name="Grid Table 6 Colorful Accent 5"/>
588  <w:LsdException Locked="false" Priority="52"
589   Name="Grid Table 7 Colorful Accent 5"/>
590  <w:LsdException Locked="false" Priority="46"
591   Name="Grid Table 1 Light Accent 6"/>
592  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
593  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
594  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
595  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
596  <w:LsdException Locked="false" Priority="51"
597   Name="Grid Table 6 Colorful Accent 6"/>
598  <w:LsdException Locked="false" Priority="52"
599   Name="Grid Table 7 Colorful Accent 6"/>
600  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
601  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
602  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
603  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
604  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
605  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
606  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
607  <w:LsdException Locked="false" Priority="46"
608   Name="List Table 1 Light Accent 1"/>
609  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
610  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
611  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
612  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
613  <w:LsdException Locked="false" Priority="51"
614   Name="List Table 6 Colorful Accent 1"/>
615  <w:LsdException Locked="false" Priority="52"
616   Name="List Table 7 Colorful Accent 1"/>
617  <w:LsdException Locked="false" Priority="46"
618   Name="List Table 1 Light Accent 2"/>
619  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
620  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
621  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
622  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
623  <w:LsdException Locked="false" Priority="51"
624   Name="List Table 6 Colorful Accent 2"/>
625  <w:LsdException Locked="false" Priority="52"
626   Name="List Table 7 Colorful Accent 2"/>
627  <w:LsdException Locked="false" Priority="46"
628   Name="List Table 1 Light Accent 3"/>
629  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
630  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
631  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
632  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
633  <w:LsdException Locked="false" Priority="51"
634   Name="List Table 6 Colorful Accent 3"/>
635  <w:LsdException Locked="false" Priority="52"
636   Name="List Table 7 Colorful Accent 3"/>
637  <w:LsdException Locked="false" Priority="46"
638   Name="List Table 1 Light Accent 4"/>
639  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
640  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
641  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
642  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
643  <w:LsdException Locked="false" Priority="51"
644   Name="List Table 6 Colorful Accent 4"/>
645  <w:LsdException Locked="false" Priority="52"
646   Name="List Table 7 Colorful Accent 4"/>
647  <w:LsdException Locked="false" Priority="46"
648   Name="List Table 1 Light Accent 5"/>
649  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
650  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
651  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
652  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
653  <w:LsdException Locked="false" Priority="51"
654   Name="List Table 6 Colorful Accent 5"/>
655  <w:LsdException Locked="false" Priority="52"
656   Name="List Table 7 Colorful Accent 5"/>
657  <w:LsdException Locked="false" Priority="46"
658   Name="List Table 1 Light Accent 6"/>
659  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
660  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
661  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
662  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
663  <w:LsdException Locked="false" Priority="51"
664   Name="List Table 6 Colorful Accent 6"/>
665  <w:LsdException Locked="false" Priority="52"
666   Name="List Table 7 Colorful Accent 6"/>
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851</head>
852
853<body lang=EN-US style='tab-interval:.5in'>
854
855<div class=WordSection1>
856
857<h1><span style='mso-fareast-font-family:"Times New Roman"'>Fitting the Starting
858Background using Fixed Points<o:p></o:p></span></h1>
859
860<h2><span style='mso-fareast-font-family:"Times New Roman"'>Introduction:<o:p></o:p></span></h2>
861
862<p class=MsoNormal>There are times when it can be difficult to establish a good
863initial model for the background in a Rietveld fit. The authors of GSAS-II feel
864that background models should always be refined in the final stages of
865refinement (on occasion when background levels interact highly with atomic
866displacement parameters, one may need to fix one or the other), but in the
867initial stages of the fit, it can be helpful to force the initial background
868fitting to follow a curve supplied by the user. This tutorial shows how to do
869this. </p>
870
871<p class=MsoNormal><o:p>&nbsp;</o:p></p>
872
873<p class=MsoNormal>For this example, we will fit data from 11-BM that has a fairly
874large broad background peak. </p>
875
876<h2>Step 1. Load the diffraction data</h2>
877
878<p class=MsoNormal>Import the data using <b style='mso-bidi-font-weight:normal'><span
879style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
880mso-hansi-theme-font:minor-latin'>Import/Powder Data/from GSAS powder data file</span></b>.
881Change the directory to the location of this exercise (<b style='mso-bidi-font-weight:
882normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
883minor-latin;mso-hansi-theme-font:minor-latin'>exercises/<span class=SpellE>FitBkg</span></span></b>
884– yours might be different). Switch the input file type to use zip archives
885(.zip). Select file <b style='mso-bidi-font-weight:normal'><span
886style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
887mso-hansi-theme-font:minor-latin'>OH_00.zip</span></b>. </p>
888
889<p class=MsoNormal><o:p>&nbsp;</o:p></p>
890
891<p class=MsoNormal>This will present a file browser where the data file, <b
892style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
893mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OH_00.fxye</span></b>
894can be selected. </p>
895
896<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
897 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
898 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
899 <v:stroke joinstyle="miter"/>
900 <v:formulas>
901  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
902  <v:f eqn="sum @0 1 0"/>
903  <v:f eqn="sum 0 0 @1"/>
904  <v:f eqn="prod @2 1 2"/>
905  <v:f eqn="prod @3 21600 pixelWidth"/>
906  <v:f eqn="prod @3 21600 pixelHeight"/>
907  <v:f eqn="sum @0 0 1"/>
908  <v:f eqn="prod @6 1 2"/>
909  <v:f eqn="prod @7 21600 pixelWidth"/>
910  <v:f eqn="sum @8 21600 0"/>
911  <v:f eqn="prod @7 21600 pixelHeight"/>
912  <v:f eqn="sum @10 21600 0"/>
913 </v:formulas>
914 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
915 <o:lock v:ext="edit" aspectratio="t"/>
916</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_i1025" type="#_x0000_t75"
917 style='width:201.75pt;height:196.5pt;visibility:visible'>
918 <v:imagedata src="FitBkgTut_files/image001.png" o:title=""/>
919</v:shape><![endif]--><![if !vml]><img width=269 height=262
920src="FitBkgTut_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
921
922<p class=MsoNormal>A prompt is presented where the header of the file is shown.
923Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
924mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>.
925The instrument parameter file will be read automatically from the .zip file for
926you. </p>
927
928<p class=MsoNormal><o:p>&nbsp;</o:p></p>
929
930<p class=MsoNormal>The initial plot of the data does not show much of a
931background, </p>
932
933<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
934 id="Picture_x0020_3" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:219.75pt;
935 height:189.75pt;visibility:visible'>
936 <v:imagedata src="FitBkgTut_files/image003.png" o:title=""/>
937</v:shape><![endif]--><![if !vml]><img width=293 height=253
938src="FitBkgTut_files/image004.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
939
940<p class=MsoNormal><o:p>&nbsp;</o:p></p>
941
942<p class=MsoNormal>But if this plot is magnified, it becomes clear that there
943are three effects taking place.</p>
944
945<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
946 id="Picture_x0020_4" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:375.75pt;
947 height:323.25pt;visibility:visible'>
948 <v:imagedata src="FitBkgTut_files/image005.png" o:title=""/>
949</v:shape><![endif]--><![if !vml]><img width=501 height=431
950src="FitBkgTut_files/image006.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
951
952<p class=MsoNormal>At low angles (below 3<b style='mso-bidi-font-weight:normal'><span
953style='mso-bidi-font-family:"Lucida Grande";color:black'>° </span></b>2<span
954style='mso-bidi-font-family:"Lucida Grande";color:black'>&#952;), there is a
955strong fall-off in background (this is due to air scattering &amp; small angle
956scattering by the sample); between </span>3<b style='mso-bidi-font-weight:normal'><span
957style='mso-bidi-font-family:"Lucida Grande";color:black'>°</span></b><span
958style='mso-bidi-font-family:"Lucida Grande";color:black'> and </span>10<b
959style='mso-bidi-font-weight:normal'><span style='mso-bidi-font-family:"Lucida Grande";
960color:black'>° </span></b>2<span style='mso-bidi-font-family:"Lucida Grande";
961color:black'>&#952; there is a broad feature (from <span class=SpellE>kapton</span>
962used to hold the sample) and finally beyond 10<b style='mso-bidi-font-weight:
963normal'>°</b> the background is relatively flat. There may be some minor ripple
964in this, but this is better explored late in the refinement by looking at the difference
965curve. <o:p></o:p></span></p>
966
967<h2>Step 2. Define fixed points</h2>
968
969<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
970color:black'>To fit this, we will initially define points where we think the
971background should be using the mouse (be sure that the plot zoom &amp; reposition
972buttons are not selected). Select the </span><b style='mso-bidi-font-weight:
973normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
974minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
975color:black'>Background</span></b><span style='mso-bidi-font-family:"Lucida Grande";
976color:black'> tree item (under </span><b style='mso-bidi-font-weight:normal'><span
977style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
978mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
979color:black'>PWDR OH_00…</span></b><span style='mso-bidi-font-family:"Lucida Grande";
980color:black'>) and from the menu select </span><b style='mso-bidi-font-weight:
981normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
982minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
983color:black'>Fixed Points/Add</span></b><span style='mso-bidi-font-family:"Lucida Grande";
984color:black'> (Add will then have a bullet selection). Click the mouse at
985locations across the pattern to define where the background should go. Select
986at least two points for every term that you will want to fit. It is a good idea
987to have a point below the lower data limit and one above the upper data limit,
988as these will be used in extrapolation. <o:p></o:p></span></p>
989
990<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
991color:black'><o:p>&nbsp;</o:p></span></p>
992
993<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
994color:black'>Note that any unwanted points can be deleted by selecting </span><b
995style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
996mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
997"Lucida Grande";color:black'>Fixed Points/Delete</span></b><span
998style='mso-bidi-font-family:"Lucida Grande";color:black'> and then by clicking
999on the points. Alternately, points can be repositioned by selecting </span><b
1000style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1001mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1002"Lucida Grande";color:black'>Fixed Points/Move</span></b><span
1003style='mso-bidi-font-family:"Lucida Grande";color:black'> and then dragging the
1004points to new locations. The bullet selection on the menu will indicate which
1005of these is active. When done you should have a plot that looks something like
1006this:<o:p></o:p></span></p>
1007
1008<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
1009color:black'><o:p>&nbsp;</o:p></span></p>
1010
1011<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1012 id="Picture_x0020_5" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:6in;
1013 height:372pt;visibility:visible'>
1014 <v:imagedata src="FitBkgTut_files/image007.png" o:title=""/>
1015</v:shape><![endif]--><![if !vml]><img width=576 height=496
1016src="FitBkgTut_files/image008.png" v:shapes="Picture_x0020_5"><![endif]><o:p></o:p></span></p>
1017
1018<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1019
1020<h2>Step 3. Fit the background</h2>
1021
1022<p class=MsoNormal>At this point is becomes possible to fit different
1023background models to the points to see how they do. <span
1024style='mso-spacerun:yes'> </span>Change the function, the number of terms,
1025refinement flag(s) and then press <b style='mso-bidi-font-weight:normal'><span
1026style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1027mso-hansi-theme-font:minor-latin'>Fixed Points/Fit Background</span></b> menu
1028item. Use of 12 <span class=SpellE>Chebyschev</span> terms gives an OK fit, as
1029shown below, but does have some extraneous “blips”: </p>
1030
1031<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1029" type="#_x0000_t75"
1032 style='width:255.75pt;height:99pt'>
1033 <v:imagedata src="FitBkgTut_files/image009.png" o:title=""/>
1034</v:shape><![endif]--><![if !vml]><img width=341 height=132
1035src="FitBkgTut_files/image010.png" v:shapes="_x0000_i1029"><![endif]></p>
1036
1037<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1038
1039<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1030" type="#_x0000_t75"
1040 style='width:6in;height:368.25pt'>
1041 <v:imagedata src="FitBkgTut_files/image011.png" o:title=""/>
1042</v:shape><![endif]--><![if !vml]><img width=576 height=491
1043src="FitBkgTut_files/image012.png" v:shapes="_x0000_i1030"><![endif]></p>
1044
1045<p class=MsoNormal>Adding more terms does improve the fit. </p>
1046
1047<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1048
1049<h2>Step 4. Add a background peak</h2>
1050
1051<p class=MsoNormal>A better choice is to reduce the number of terms and add a
1052background peak to match the feature centered around 5.3 degrees. Initially set
1053the intensity and peak width (but not the position) to be refined. </p>
1054
1055<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1031" type="#_x0000_t75"
1056 style='width:273.75pt;height:113.25pt'>
1057 <v:imagedata src="FitBkgTut_files/image013.png" o:title=""/>
1058</v:shape><![endif]--><![if !vml]><img width=365 height=151
1059src="FitBkgTut_files/image014.png" v:shapes="_x0000_i1031"><![endif]></p>
1060
1061<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1062
1063<p class=MsoNormal>The initial fit is not that good, </p>
1064
1065<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1032" type="#_x0000_t75"
1066 style='width:6in;height:370.5pt'>
1067 <v:imagedata src="FitBkgTut_files/image015.png" o:title=""/>
1068</v:shape><![endif]--><![if !vml]><img width=576 height=494
1069src="FitBkgTut_files/image016.png" v:shapes="_x0000_i1032"><![endif]></p>
1070
1071<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1072
1073<p class=MsoNormal><span class=GramE>but</span> increasing the number of terms
1074to 8 and refining the peak position as well does give a good fit:</p>
1075
1076<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1033" type="#_x0000_t75"
1077 style='width:431.25pt;height:371.25pt'>
1078 <v:imagedata src="FitBkgTut_files/image017.png" o:title=""/>
1079</v:shape><![endif]--><![if !vml]><img width=575 height=495
1080src="FitBkgTut_files/image018.png" v:shapes="_x0000_i1033"><![endif]></p>
1081
1082<h2>Step 5. Try other models</h2>
1083
1084<p class=MsoNormal>One of the nice features of this approach is that we can try
1085out different functions and see how well they do. </p>
1086
1087<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1088
1089<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
1090style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1091mso-hansi-theme-font:minor-latin'>Q^-2 power series</span></b> does a very nice
1092job for the low-angle portion of the pattern with only 4 terms, but does not do
1093very good job at higher angle, even if more terms are added: </p>
1094
1095<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1034" type="#_x0000_t75"
1096 style='width:291.75pt;height:114pt'>
1097 <v:imagedata src="FitBkgTut_files/image019.png" o:title=""/>
1098</v:shape><![endif]--><![if !vml]><img width=389 height=152
1099src="FitBkgTut_files/image020.png" v:shapes="_x0000_i1034"><![endif]></p>
1100
1101<p class=MsoNormal><span style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape
1102 id="_x0000_i1035" type="#_x0000_t75" style='width:431.25pt;height:397.5pt'>
1103 <v:imagedata src="FitBkgTut_files/image021.png" o:title=""/>
1104</v:shape><![endif]--><![if !vml]><img width=575 height=530
1105src="FitBkgTut_files/image022.png" v:shapes="_x0000_i1035"><![endif]></p>
1106
1107<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1108
1109<p class=MsoNormal>While the <b style='mso-bidi-font-weight:normal'><span
1110style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1111mso-hansi-theme-font:minor-latin'>log-interpolate</span></b> function does well
1112with only 6 background terms:</p>
1113
1114<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1036" type="#_x0000_t75"
1115 style='width:291.75pt;height:130.5pt'>
1116 <v:imagedata src="FitBkgTut_files/image023.png" o:title=""/>
1117</v:shape><![endif]--><![if !vml]><img width=389 height=174
1118src="FitBkgTut_files/image024.png" v:shapes="_x0000_i1036"><![endif]></p>
1119
1120<p class=MsoNormal><!--[if gte vml 1]><v:shape id="_x0000_i1037" type="#_x0000_t75"
1121 style='width:431.25pt;height:396pt'>
1122 <v:imagedata src="FitBkgTut_files/image025.png" o:title=""/>
1123</v:shape><![endif]--><![if !vml]><img width=575 height=528
1124src="FitBkgTut_files/image026.png" v:shapes="_x0000_i1037"><![endif]></p>
1125
1126<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1127
1128<h2>Step 6. What to do next</h2>
1129
1130<p class=MsoNormal>The background points that have been defined are saved in
1131the GSAS-II project (.<span class=SpellE>gpx</span>) file and will appear when
1132the Background menu item is selected. They will not affect the refinement in
1133any way. Nonetheless, you may wish to delete them so they do not appear on the
1134background plot. To do this, use the <b style='mso-bidi-font-weight:normal'><span
1135style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1136mso-hansi-theme-font:minor-latin'>Fixed Points/Clear</span></b> menu item. You’ll
1137need to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1138mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Save/Save as…</span></b>
1139the project file if you want to retain this new background model for further
1140use.</p>
1141
1142<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1143
1144<p class=MsoNormal>With the one added background peak, and either the <span
1145class=SpellE>Chebyschev</span> function with 8 terms or the log-interpolate
1146function with 6 terms, one has a good background model to start the fitting.
1147Turning off the refine flags in the early stages of the refinements will
1148simplify the computations and ensure the model stays in a good place, but
1149remember to turn the flags back on in the final stages of fitting. </p>
1150
1151</div>
1152
1153</body>
1154
1155</html>
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