source: Tutorials/BkgFit/FitBkgTut.htm @ 4131

Last change on this file since 4131 was 4131, checked in by toby, 4 years ago

restore videos, deal with failure to test if box.com files are present
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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" Name="Grid Table 2"/>
533  <w:LsdException Locked="false" Priority="39" QFormat="true"
534   Name="Grid Table 3"/>
535  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
536  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
537  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
538  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
539  <w:LsdException Locked="false" Priority="46"
540   Name="Grid Table 1 Light Accent 1"/>
541  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
542  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
543  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
544  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
545  <w:LsdException Locked="false" Priority="51"
546   Name="Grid Table 6 Colorful Accent 1"/>
547  <w:LsdException Locked="false" Priority="52"
548   Name="Grid Table 7 Colorful Accent 1"/>
549  <w:LsdException Locked="false" Priority="46"
550   Name="Grid Table 1 Light Accent 2"/>
551  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
552  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
553  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
554  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
555  <w:LsdException Locked="false" Priority="51"
556   Name="Grid Table 6 Colorful Accent 2"/>
557  <w:LsdException Locked="false" Priority="52"
558   Name="Grid Table 7 Colorful Accent 2"/>
559  <w:LsdException Locked="false" Priority="46"
560   Name="Grid Table 1 Light Accent 3"/>
561  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
562  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
563  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
564  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
565  <w:LsdException Locked="false" Priority="51"
566   Name="Grid Table 6 Colorful Accent 3"/>
567  <w:LsdException Locked="false" Priority="52"
568   Name="Grid Table 7 Colorful Accent 3"/>
569  <w:LsdException Locked="false" Priority="46"
570   Name="Grid Table 1 Light Accent 4"/>
571  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
572  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
573  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
574  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
575  <w:LsdException Locked="false" Priority="51"
576   Name="Grid Table 6 Colorful Accent 4"/>
577  <w:LsdException Locked="false" Priority="52"
578   Name="Grid Table 7 Colorful Accent 4"/>
579  <w:LsdException Locked="false" Priority="46"
580   Name="Grid Table 1 Light Accent 5"/>
581  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
582  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
583  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
584  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
585  <w:LsdException Locked="false" Priority="51"
586   Name="Grid Table 6 Colorful Accent 5"/>
587  <w:LsdException Locked="false" Priority="52"
588   Name="Grid Table 7 Colorful Accent 5"/>
589  <w:LsdException Locked="false" Priority="46"
590   Name="Grid Table 1 Light Accent 6"/>
591  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
592  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
593  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
594  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
595  <w:LsdException Locked="false" Priority="51"
596   Name="Grid Table 6 Colorful Accent 6"/>
597  <w:LsdException Locked="false" Priority="52"
598   Name="Grid Table 7 Colorful Accent 6"/>
599  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
600  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
601  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
602  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
603  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
604  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
605  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
606  <w:LsdException Locked="false" Priority="46"
607   Name="List Table 1 Light Accent 1"/>
608  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
609  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
610  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
611  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
612  <w:LsdException Locked="false" Priority="51"
613   Name="List Table 6 Colorful Accent 1"/>
614  <w:LsdException Locked="false" Priority="52"
615   Name="List Table 7 Colorful Accent 1"/>
616  <w:LsdException Locked="false" Priority="46"
617   Name="List Table 1 Light Accent 2"/>
618  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
619  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
620  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
621  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
622  <w:LsdException Locked="false" Priority="51"
623   Name="List Table 6 Colorful Accent 2"/>
624  <w:LsdException Locked="false" Priority="52"
625   Name="List Table 7 Colorful Accent 2"/>
626  <w:LsdException Locked="false" Priority="46"
627   Name="List Table 1 Light Accent 3"/>
628  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
629  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
630  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
631  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
632  <w:LsdException Locked="false" Priority="51"
633   Name="List Table 6 Colorful Accent 3"/>
634  <w:LsdException Locked="false" Priority="52"
635   Name="List Table 7 Colorful Accent 3"/>
636  <w:LsdException Locked="false" Priority="46"
637   Name="List Table 1 Light Accent 4"/>
638  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
639  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
640  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
641  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
642  <w:LsdException Locked="false" Priority="51"
643   Name="List Table 6 Colorful Accent 4"/>
644  <w:LsdException Locked="false" Priority="52"
645   Name="List Table 7 Colorful Accent 4"/>
646  <w:LsdException Locked="false" Priority="46"
647   Name="List Table 1 Light Accent 5"/>
648  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
649  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
650  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
651  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
652  <w:LsdException Locked="false" Priority="51"
653   Name="List Table 6 Colorful Accent 5"/>
654  <w:LsdException Locked="false" Priority="52"
655   Name="List Table 7 Colorful Accent 5"/>
656  <w:LsdException Locked="false" Priority="46"
657   Name="List Table 1 Light Accent 6"/>
658  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
659  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
660  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
661  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
662  <w:LsdException Locked="false" Priority="51"
663   Name="List Table 6 Colorful Accent 6"/>
664  <w:LsdException Locked="false" Priority="52"
665   Name="List Table 7 Colorful Accent 6"/>
666 </w:LatentStyles>
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869</head>
870
871<body lang=EN-US style='tab-interval:.5in'>
872
873<div class=WordSection1>
874
875<h1><span style='mso-fareast-font-family:"Times New Roman"'>Fitting the
876Starting Background using Fixed Points<o:p></o:p></span></h1>
877
878<P><B>A video version of this tutorial is available at
879<A href="https://anl.box.com/v/FitBkgTut---" target="_blank">
880https://anl.box.com/v/FitBkgTut---</A></B></P>
881
882<h2><span style='mso-fareast-font-family:"Times New Roman"'>Introduction:<o:p></o:p></span></h2>
883
884<p class=MsoNormal>There are times when it can be difficult to establish a good
885initial model for the background in a Rietveld fit. The authors of GSAS-II feel
886that background models should always be refined in the final stages of
887refinement (on occasion when background levels interact highly with atomic
888displacement parameters, one may need to fix one or the other), but in the
889initial stages of the fit, it can be helpful to force the initial background
890fitting to follow a curve supplied by the user. This tutorial shows how to do
891this. </p>
892
893<p class=MsoNormal><o:p>&nbsp;</o:p></p>
894
895<p class=MsoNormal>For this example, we will fit data from 11-BM that has a
896fairly large broad background peak. </p>
897
898<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 1. Load the
899diffraction data<o:p></o:p></span></h2>
900
901<p class=MsoNormal>Import the data using <b style='mso-bidi-font-weight:normal'><span
902style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
903mso-hansi-theme-font:minor-latin'>Import/Powder Data/from GSAS powder data file</span></b>.
904Change the directory to the location of this exercise (<span class=SpellE><b
905style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
906mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>FitBkg</span></b></span><b
907style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
908mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>/data</span></b>
909– yours might be different). Switch the input file type to use zip archives
910(.zip). Select file <b style='mso-bidi-font-weight:normal'><span
911style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
912mso-hansi-theme-font:minor-latin'>OH_00.zip</span></b>. </p>
913
914<p class=MsoNormal><o:p>&nbsp;</o:p></p>
915
916<p class=MsoNormal>This will present a file browser where the data file, <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'>OH_00.fxye</span></b>
919can be selected. </p>
920
921<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
922 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
923 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
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925 <v:formulas>
926  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
927  <v:f eqn="sum @0 1 0"/>
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929  <v:f eqn="prod @2 1 2"/>
930  <v:f eqn="prod @3 21600 pixelWidth"/>
931  <v:f eqn="prod @3 21600 pixelHeight"/>
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934  <v:f eqn="prod @7 21600 pixelWidth"/>
935  <v:f eqn="sum @8 21600 0"/>
936  <v:f eqn="prod @7 21600 pixelHeight"/>
937  <v:f eqn="sum @10 21600 0"/>
938 </v:formulas>
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940 <o:lock v:ext="edit" aspectratio="t"/>
941</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_i1037" type="#_x0000_t75"
942 style='width:201.75pt;height:196.5pt;visibility:visible;mso-wrap-style:square'>
943 <v:imagedata src="FitBkgTut_files/image001.png" o:title=""/>
944</v:shape><![endif]--><![if !vml]><img width=269 height=262
945src="FitBkgTut_files/image027.png" v:shapes="Picture_x0020_2"><![endif]></span></p>
946
947<p class=MsoNormal>A prompt is presented where the header of the file is shown.
948Press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
949mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Yes</span></b>.
950The instrument parameter file will be read automatically from the .zip file for
951you. </p>
952
953<p class=MsoNormal><o:p>&nbsp;</o:p></p>
954
955<p class=MsoNormal>The initial plot of the data does not show much of a
956background, </p>
957
958<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
959 id="Picture_x0020_3" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:219.75pt;
960 height:189.75pt;visibility:visible;mso-wrap-style:square'>
961 <v:imagedata src="FitBkgTut_files/image003.png" o:title=""/>
962</v:shape><![endif]--><![if !vml]><img width=293 height=253
963src="FitBkgTut_files/image028.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
964
965<p class=MsoNormal><o:p>&nbsp;</o:p></p>
966
967<p class=MsoNormal>But if this plot is magnified, it becomes clear that there
968are three effects taking place.</p>
969
970<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
971 id="Picture_x0020_4" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:375.75pt;
972 height:323.25pt;visibility:visible;mso-wrap-style:square'>
973 <v:imagedata src="FitBkgTut_files/image005.png" o:title=""/>
974</v:shape><![endif]--><![if !vml]><img width=501 height=431
975src="FitBkgTut_files/image029.png" v:shapes="Picture_x0020_4"><![endif]></span></p>
976
977<p class=MsoNormal>At low angles (below 3<b style='mso-bidi-font-weight:normal'><span
978style='mso-bidi-font-family:"Lucida Grande";color:black'>° </span></b>2<span
979style='mso-bidi-font-family:"Lucida Grande";color:black'>&#952;), there is a
980strong fall-off in background (this is due to air scattering &amp; small angle
981scattering by the sample); between </span>3<b style='mso-bidi-font-weight:normal'><span
982style='mso-bidi-font-family:"Lucida Grande";color:black'>°</span></b><span
983style='mso-bidi-font-family:"Lucida Grande";color:black'> and </span>10<b
984style='mso-bidi-font-weight:normal'><span style='mso-bidi-font-family:"Lucida Grande";
985color:black'>° </span></b>2<span style='mso-bidi-font-family:"Lucida Grande";
986color:black'>&#952; there is a broad feature (from <span class=SpellE>kapton</span>
987used to hold the sample) and finally beyond 10<b style='mso-bidi-font-weight:
988normal'>°</b> the background is relatively flat. There may be some minor ripple
989in this, but this is better explored late in the refinement by looking at the
990difference curve. <o:p></o:p></span></p>
991
992<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 2. Define fixed
993points<o:p></o:p></span></h2>
994
995<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
996color:black'>To fit this, we will initially define points where we think the
997background should be using the mouse (be sure that the plot zoom &amp;
998reposition buttons are not selected). Select the </span><b style='mso-bidi-font-weight:
999normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1000minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
1001color:black'>Background</span></b><span style='mso-bidi-font-family:"Lucida Grande";
1002color:black'> tree item (under </span><b style='mso-bidi-font-weight:normal'><span
1003style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1004mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
1005color:black'>PWDR OH_00…</span></b><span style='mso-bidi-font-family:"Lucida Grande";
1006color:black'>) and from the menu select </span><b style='mso-bidi-font-weight:
1007normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1008minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:"Lucida Grande";
1009color:black'>Fixed Points/Add</span></b><span style='mso-bidi-font-family:"Lucida Grande";
1010color:black'> (Add will then have a bullet selection). Click the mouse at
1011locations across the pattern to define where the background should go. Select
1012at least two points for every term that you will want to fit. It is a good idea
1013to have a point below the lower data limit and one above the upper data limit,
1014as these will be used in extrapolation. <o:p></o:p></span></p>
1015
1016<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
1017color:black'><o:p>&nbsp;</o:p></span></p>
1018
1019<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
1020color:black'>Note that any unwanted points can be deleted by selecting </span><b
1021style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1022mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1023"Lucida Grande";color:black'>Fixed Points/Delete</span></b><span
1024style='mso-bidi-font-family:"Lucida Grande";color:black'> and then by clicking
1025on the points. Alternately, points can be repositioned by selecting </span><b
1026style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1027mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1028"Lucida Grande";color:black'>Fixed Points/Move</span></b><span
1029style='mso-bidi-font-family:"Lucida Grande";color:black'> and then dragging the
1030points to new locations. The bullet selection on the menu will indicate which
1031of these is active. When done you should have a plot that looks something like
1032this:<o:p></o:p></span></p>
1033
1034<p class=MsoNormal><span style='mso-bidi-font-family:"Lucida Grande";
1035color:black'><o:p>&nbsp;</o:p></span></p>
1036
1037<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1038 id="_x0000_i1034" type="#_x0000_t75" style='width:6in;height:372pt;
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1041</v:shape><![endif]--><![if !vml]><img width=576 height=496
1042src="FitBkgTut_files/image030.png" v:shapes="_x0000_i1034"><![endif]><o:p></o:p></span></p>
1043
1044<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1045
1046<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 3. Fit the
1047background<o:p></o:p></span></h2>
1048
1049<p class=MsoNormal>At this point is becomes possible to fit different
1050background models to the points to see how they do.<span
1051style='mso-spacerun:yes'>  </span>Change the function, the number of terms,
1052refinement flag(s) and then press <b style='mso-bidi-font-weight:normal'><span
1053style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1054mso-hansi-theme-font:minor-latin'>Fixed Points/Fit Background</span></b> menu
1055item. Use of 12 <span class=SpellE>Chebyschev</span> terms gives an OK fit, as
1056shown below, but does have some extraneous “blips”: </p>
1057
1058<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1059 id="Picture_x0020_5" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:255.75pt;
1060 height:99pt;visibility:visible;mso-wrap-style:square'>
1061 <v:imagedata src="FitBkgTut_files/image009.png" o:title=""/>
1062</v:shape><![endif]--><![if !vml]><img width=341 height=132
1063src="FitBkgTut_files/image031.png" v:shapes="Picture_x0020_5"><![endif]></span></p>
1064
1065<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1066
1067<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1068 id="Picture_x0020_6" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:6in;
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1070 <v:imagedata src="FitBkgTut_files/image011.png" o:title=""/>
1071</v:shape><![endif]--><![if !vml]><img width=576 height=491
1072src="FitBkgTut_files/image032.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1073
1074<p class=MsoNormal>Adding more terms does improve the fit. </p>
1075
1076<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1077
1078<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 4. Add a background
1079peak<o:p></o:p></span></h2>
1080
1081<p class=MsoNormal>A better choice is to reduce the number of terms and add a background
1082peak to match the feature centered around 5.3 degrees. Initially set the
1083intensity and peak width (but not the position) to be refined. </p>
1084
1085<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1088 <v:imagedata src="FitBkgTut_files/image013.png" o:title=""/>
1089</v:shape><![endif]--><![if !vml]><img width=365 height=151
1090src="FitBkgTut_files/image033.png" v:shapes="Picture_x0020_7"><![endif]></span></p>
1091
1092<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1093
1094<p class=MsoNormal>The initial fit is not that good, </p>
1095
1096<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1101src="FitBkgTut_files/image034.png" v:shapes="Picture_x0020_8"><![endif]></span></p>
1102
1103<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1104
1105<p class=MsoNormal>but increasing the number of terms to 8 and refining the
1106peak position as well does give a good fit:</p>
1107
1108<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1109 id="Picture_x0020_9" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:431.25pt;
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1111 <v:imagedata src="FitBkgTut_files/image017.png" o:title=""/>
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1113src="FitBkgTut_files/image035.png" v:shapes="Picture_x0020_9"><![endif]></span></p>
1114
1115<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 5. Try other models<o:p></o:p></span></h2>
1116
1117<p class=MsoNormal>One of the nice features of this approach is that we can try
1118out different functions and see how well they do. </p>
1119
1120<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1121
1122<p class=MsoNormal>The <b style='mso-bidi-font-weight:normal'><span
1123style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1124mso-hansi-theme-font:minor-latin'>Q^-2 power series</span></b> does a very nice
1125job for the low-angle portion of the pattern with only 4 terms, but does not do
1126very good job at higher angle, even if more terms are added: </p>
1127
1128<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1129 id="Picture_x0020_10" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:291.75pt;
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1131 <v:imagedata src="FitBkgTut_files/image019.png" o:title=""/>
1132</v:shape><![endif]--><![if !vml]><img width=389 height=152
1133src="FitBkgTut_files/image036.png" v:shapes="Picture_x0020_10"><![endif]></span></p>
1134
1135<p class=MsoNormal><span style='mso-spacerun:yes'> </span><span
1136style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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1139 <v:imagedata src="FitBkgTut_files/image021.png" o:title=""/>
1140</v:shape><![endif]--><![if !vml]><img width=575 height=530
1141src="FitBkgTut_files/image037.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
1142
1143<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1144
1145<p class=MsoNormal>While the <b style='mso-bidi-font-weight:normal'><span
1146style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1147mso-hansi-theme-font:minor-latin'>log-interpolate</span></b> function does well
1148with only 6 background terms:</p>
1149
1150<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1151 id="Picture_x0020_12" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:291.75pt;
1152 height:130.5pt;visibility:visible;mso-wrap-style:square'>
1153 <v:imagedata src="FitBkgTut_files/image023.png" o:title=""/>
1154</v:shape><![endif]--><![if !vml]><img width=389 height=174
1155src="FitBkgTut_files/image038.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
1156
1157<p class=MsoNormal><span style='mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1158 id="Picture_x0020_13" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:431.25pt;
1159 height:396pt;visibility:visible;mso-wrap-style:square'>
1160 <v:imagedata src="FitBkgTut_files/image025.png" o:title=""/>
1161</v:shape><![endif]--><![if !vml]><img width=575 height=528
1162src="FitBkgTut_files/image039.png" v:shapes="Picture_x0020_13"><![endif]></span></p>
1163
1164<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1165
1166<h2><span style='mso-fareast-font-family:"MS Mincho"'>Step 6. What to do next<o:p></o:p></span></h2>
1167
1168<p class=MsoNormal>The background points that have been defined are saved in
1169the GSAS-II project (.<span class=SpellE>gpx</span>) file and will appear when
1170the Background menu item is selected. They will not affect the refinement in
1171any way. Nonetheless, you may wish to delete them so they do not appear on the
1172background plot. To do this, use the <b style='mso-bidi-font-weight:normal'><span
1173style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1174mso-hansi-theme-font:minor-latin'>Fixed Points/Clear</span></b> menu item.
1175You’ll need to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1176"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1177minor-latin'>Save/Save as…</span></b> the project file if you want to retain
1178this new background model for further use.</p>
1179
1180<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1181
1182<p class=MsoNormal>With the one added background peak, and either the <span
1183class=SpellE>Chebyschev</span> function with 8 terms or the log-interpolate
1184function with 6 terms, one has a good background model to start the fitting.
1185Turning off the refine flags in the early stages of the refinements will
1186simplify the computations and ensure the model stays in a good place, but
1187remember to turn the flags back on in the final stages of fitting. </p>
1188
1189</div>
1190
1191</body>
1192
1193</html>
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