source: Tutorials/SAfit/Fitting Small Angle Scattering Data.htm @ 4271

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finish web tutorials for now

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415  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
416  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
417  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
418  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
419  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
420  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
421  <w:LsdException Locked="false" Priority="34" QFormat="true"
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424  <w:LsdException Locked="false" Priority="30" QFormat="true"
425   Name="Intense Quote"/>
426  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
427  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
428  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
429  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
430  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
431  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
432  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
433  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
434  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
435  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
436  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
437  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
440  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
441  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
442  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
443  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
444  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
445  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
446  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
447  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
448  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
449  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
450  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
451  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
454  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
455  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
456  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
457  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
458  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
459  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
460  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
461  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
462  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
463  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
464  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
465  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
468  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
469  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
470  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
471  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
472  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
473  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
474  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
475  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
476  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
477  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
478  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
479  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
482  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
483  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
484  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
485  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
486  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
487  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
488  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
489  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
490  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
491  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
492  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
493  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
496  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
497  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
498  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
499  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
500  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
501  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
502  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
503  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
504  <w:LsdException Locked="false" Priority="19" QFormat="true"
505   Name="Subtle Emphasis"/>
506  <w:LsdException Locked="false" Priority="21" QFormat="true"
507   Name="Intense Emphasis"/>
508  <w:LsdException Locked="false" Priority="31" QFormat="true"
509   Name="Subtle Reference"/>
510  <w:LsdException Locked="false" Priority="32" QFormat="true"
511   Name="Intense Reference"/>
512  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
513  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
514   UnhideWhenUsed="true" Name="Bibliography"/>
515  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
516   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
517  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
518  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
519  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
520  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
521  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
522  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
523  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
524  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
525  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
526  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
527  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
528  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
529  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
530  <w:LsdException Locked="false" Priority="46"
531   Name="Grid Table 1 Light Accent 1"/>
532  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
533  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
534  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
535  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
536  <w:LsdException Locked="false" Priority="51"
537   Name="Grid Table 6 Colorful Accent 1"/>
538  <w:LsdException Locked="false" Priority="52"
539   Name="Grid Table 7 Colorful Accent 1"/>
540  <w:LsdException Locked="false" Priority="46"
541   Name="Grid Table 1 Light Accent 2"/>
542  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
543  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
544  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
545  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
546  <w:LsdException Locked="false" Priority="51"
547   Name="Grid Table 6 Colorful Accent 2"/>
548  <w:LsdException Locked="false" Priority="52"
549   Name="Grid Table 7 Colorful Accent 2"/>
550  <w:LsdException Locked="false" Priority="46"
551   Name="Grid Table 1 Light Accent 3"/>
552  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
553  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
554  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
555  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
556  <w:LsdException Locked="false" Priority="51"
557   Name="Grid Table 6 Colorful Accent 3"/>
558  <w:LsdException Locked="false" Priority="52"
559   Name="Grid Table 7 Colorful Accent 3"/>
560  <w:LsdException Locked="false" Priority="46"
561   Name="Grid Table 1 Light Accent 4"/>
562  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
563  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
564  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
565  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
566  <w:LsdException Locked="false" Priority="51"
567   Name="Grid Table 6 Colorful Accent 4"/>
568  <w:LsdException Locked="false" Priority="52"
569   Name="Grid Table 7 Colorful Accent 4"/>
570  <w:LsdException Locked="false" Priority="46"
571   Name="Grid Table 1 Light Accent 5"/>
572  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
573  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
574  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
575  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
576  <w:LsdException Locked="false" Priority="51"
577   Name="Grid Table 6 Colorful Accent 5"/>
578  <w:LsdException Locked="false" Priority="52"
579   Name="Grid Table 7 Colorful Accent 5"/>
580  <w:LsdException Locked="false" Priority="46"
581   Name="Grid Table 1 Light Accent 6"/>
582  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
583  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
584  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
585  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
586  <w:LsdException Locked="false" Priority="51"
587   Name="Grid Table 6 Colorful Accent 6"/>
588  <w:LsdException Locked="false" Priority="52"
589   Name="Grid Table 7 Colorful Accent 6"/>
590  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
591  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
592  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
593  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
594  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
595  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
596  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
597  <w:LsdException Locked="false" Priority="46"
598   Name="List Table 1 Light Accent 1"/>
599  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
600  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
601  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
602  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
603  <w:LsdException Locked="false" Priority="51"
604   Name="List Table 6 Colorful Accent 1"/>
605  <w:LsdException Locked="false" Priority="52"
606   Name="List Table 7 Colorful Accent 1"/>
607  <w:LsdException Locked="false" Priority="46"
608   Name="List Table 1 Light Accent 2"/>
609  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
610  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
611  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
612  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
613  <w:LsdException Locked="false" Priority="51"
614   Name="List Table 6 Colorful Accent 2"/>
615  <w:LsdException Locked="false" Priority="52"
616   Name="List Table 7 Colorful Accent 2"/>
617  <w:LsdException Locked="false" Priority="46"
618   Name="List Table 1 Light Accent 3"/>
619  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
620  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
621  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
622  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
623  <w:LsdException Locked="false" Priority="51"
624   Name="List Table 6 Colorful Accent 3"/>
625  <w:LsdException Locked="false" Priority="52"
626   Name="List Table 7 Colorful Accent 3"/>
627  <w:LsdException Locked="false" Priority="46"
628   Name="List Table 1 Light Accent 4"/>
629  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
630  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
631  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
632  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
633  <w:LsdException Locked="false" Priority="51"
634   Name="List Table 6 Colorful Accent 4"/>
635  <w:LsdException Locked="false" Priority="52"
636   Name="List Table 7 Colorful Accent 4"/>
637  <w:LsdException Locked="false" Priority="46"
638   Name="List Table 1 Light Accent 5"/>
639  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
640  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
641  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
642  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
643  <w:LsdException Locked="false" Priority="51"
644   Name="List Table 6 Colorful Accent 5"/>
645  <w:LsdException Locked="false" Priority="52"
646   Name="List Table 7 Colorful Accent 5"/>
647  <w:LsdException Locked="false" Priority="46"
648   Name="List Table 1 Light Accent 6"/>
649  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
650  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
651  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
652  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
653  <w:LsdException Locked="false" Priority="51"
654   Name="List Table 6 Colorful Accent 6"/>
655  <w:LsdException Locked="false" Priority="52"
656   Name="List Table 7 Colorful Accent 6"/>
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1219<div class=WordSection1>
1220
1221<h1><strong>Fitting</strong><strong><span style='mso-bidi-font-weight:normal'>
1222Small Angle X-Ray Data – Alumina Powder</span><o:p></o:p></strong></h1>
1223
1224<P><B>A video version of this tutorial is available at
1225<A href="https://anl.box.com/v/FittingSmallAngleScatteringDat" target="_blank">
1226https://anl.box.com/v/FittingSmallAngleScatteringDat</A></B></P>
1227 
1228<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1229this tutorial you will fit small angle scattering data for an alumina polishing
1230powder using data from a constant wavelength synchrotron X-ray USAXS
1231instrument. You will use both a lognormal distribution of spherical particles
1232model and a unified <span class=SpellE>Guinier-Porod</span> model. The data
1233were collected from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1234minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders
1235spread onto sticky tape and covered with another layer of the same tape. The
1236data were corrected for background using data collected from two layers of
1237sticky tape. However, the sample thickness is not</span> accurately known <span
1238style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1239mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not
1240calibrated on an absolute scale.<o:p></o:p></span></p>
1241
1242<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1243
1244<h2>Step 1: read in the data file</h2>
1245
1246<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1247style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1248style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>If
1249you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight:
1250normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1251minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1252tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family:
1253"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1254minor-latin'>File/Open project…</span></b> menu item to retrieve the data;
1255plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b
1256style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1257mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span
1258style='mso-element:field-begin'></span><span
1259style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span
1260style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><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'>Step 2: Set
1263Limits<!--[if gte mso 9]><xml>
1264 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data>
1265</xml><![endif]--></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1266normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1267minor-latin;mso-hansi-theme-font:minor-latin'><span style='mso-element:field-end'></span></span></b><![endif]-->.
1268Otherwise, use the <b style='mso-bidi-font-weight:normal'><span
1269style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1270mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import/Small
1271Angle Data/from q (A-1) step X-ray QIE data file</span></b> menu item to read
1272the data file into GSAS-II. This read option is set to read three column small
1273angle scattering data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated
1274standard deviation in intensity; there may be a header with metadata
1275information in the front of this file.<span style='mso-spacerun:yes'> 
1276</span>Change the file directory to <span class=SpellE><b style='mso-bidi-font-weight:
1277normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1278minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SAfit</span></b></span><b
1279style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1280mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1281minor-latin'>/data</span></b><span style='font-family:"Calibri",sans-serif;
1282mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1283minor-latin'> to find the file</span>; you will have to select the <b
1284style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1285mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file
1286(*.*)</span></b> filter to see it.</p>
1287
1288<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1289style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1290style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1291the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1292mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1293minor-latin'>alumina data.dat</span></b><span style='font-family:"Calibri",sans-serif;
1294mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1295minor-latin'> data</span> file in the first dialog and press <b
1296style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1297mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1298minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1299class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1300"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1301minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1302style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1303mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1304minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1305style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1306mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1307minor-latin'>Yes</span></b></span> button to proceed.</p>
1308
1309<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1310style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1311mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1312tree</span></b> window will have several entries and the plot window will show
1313the SASD pattern as a log-log plot of intensity vs. Q</p>
1314
1315<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1316 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1317 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1318 <v:stroke joinstyle="miter"/>
1319 <v:formulas>
1320  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1321  <v:f eqn="sum @0 1 0"/>
1322  <v:f eqn="sum 0 0 @1"/>
1323  <v:f eqn="prod @2 1 2"/>
1324  <v:f eqn="prod @3 21600 pixelWidth"/>
1325  <v:f eqn="prod @3 21600 pixelHeight"/>
1326  <v:f eqn="sum @0 0 1"/>
1327  <v:f eqn="prod @6 1 2"/>
1328  <v:f eqn="prod @7 21600 pixelWidth"/>
1329  <v:f eqn="sum @8 21600 0"/>
1330  <v:f eqn="prod @7 21600 pixelHeight"/>
1331  <v:f eqn="sum @10 21600 0"/>
1332 </v:formulas>
1333 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1334 <o:lock v:ext="edit" aspectratio="t"/>
1335</v:shapetype><v:shape id="Picture_x0020_24" o:spid="_x0000_i1047" type="#_x0000_t75"
1336 style='width:468pt;height:401.25pt;visibility:visible;mso-wrap-style:square'>
1337 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png"
1338  o:title=""/>
1339</v:shape><![endif]--><![if !vml]><img width=624 height=535
1340src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
1341
1342<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1343
1344<p class=MsoNormal>For this step we will reposition the limits to exclude only
1345the last point in the pattern as it does appear to be somewhat suspect (see
1346plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1347"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1348minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span
1349style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1350mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the
1351GSAS-II tree. Set the upper limit using the cursor on the plot by picking the
1352next-to-last point on the curve with the left or right mouse button. If needed
1353reposition the lower limit to be the 1<sup>st</sup> data point. The limits window
1354should look like</p>
1355
1356<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1357 id="Picture_x0020_25" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:382.5pt;
1358 height:276pt;visibility:visible;mso-wrap-style:square'>
1359 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png"
1360  o:title=""/>
1361</v:shape><![endif]--><![if !vml]><img width=510 height=368
1362src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" v:shapes="Picture_x0020_25"><![endif]></span><span
1363style='mso-spacerun:yes'> </span></p>
1364
1365<h2>Step 3 Select the scattering substances for your sample</h2>
1366
1367<p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this
1368step in the </span><b style='mso-bidi-font-weight:normal'><span
1369style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1370mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size Distribution</span></b><span
1371style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b
1372style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1373mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1374yes'><span style='mso-element:field-begin'></span><span
1375style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span
1376style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1377style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1378mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4 Creation
1379and Refinement of Log Normal Particle Model<span style='mso-no-proof:yes'><!--[if gte mso 9]><xml>
1380 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data>
1381</xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1382normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1383minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span
1384style='mso-element:field-end'></span></span></b><![endif]--><span
1385style='mso-no-proof:yes'>. Two substances need to be defined for your sample to
1386give the anticipated scattering contrast; in this case one is alumina and the
1387other is “vacuum” (really air). Parameters for a number of substances are
1388defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1389style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1390mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1391style='mso-no-proof:yes'>. You can add your own substances to this or better
1392put them in </span><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;mso-no-proof:yes'>UserSubstances.py</span></b><span
1395style='mso-no-proof:yes'>; this is read after Substances.py when you load
1396substances for your selection. </span>Select <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'>Substances</span></b> under <b
1399style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1400mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1401data.dat</span></b> from the GSAS-II tree. Then do <span class=GramE><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'>Edit</span></b></span><b
1404style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1405mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>
1406substance/Load</span></b> <b style='mso-bidi-font-weight:normal'><span
1407style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1408mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>substance</span></b>
1409from the menu; a popup window will appear with possible selections</p>
1410
1411<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1412 id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt;
1413 height:252pt;visibility:visible;mso-wrap-style:square'>
1414 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png"
1415  o:title=""/>
1416</v:shape><![endif]--><![if !vml]><img width=346 height=336
1417src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1418
1419<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1420
1421<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1422style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1423mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <b
1424style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1425mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1426the relevant data for alumina (and vacuum&amp; unit scatter) are displayed next</p>
1427
1428<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1429 id="Picture_x0020_26" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:417pt;
1430 height:269.25pt;visibility:visible;mso-wrap-style:square'>
1431 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png"
1432  o:title=""/>
1433</v:shape><![endif]--><![if !vml]><img width=556 height=359
1434src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" v:shapes="Picture_x0020_26"><![endif]></span><span
1435style='mso-spacerun:yes'> </span></p>
1436
1437<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1438
1439<p class=MsoNormal>If desired you can load/add as many substances as you desire
1440into this list; you can also delete any of them (except vacuum &amp; unit
1441scatter). The composition, volume occupied by the atoms in the composition and
1442the density are given for each substance. These can each be edited; the other
1443values will change accordingly. If your substance isn’t in the list, you can <span
1444class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1445"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1446minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
1447style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1448mso-hansi-theme-font:minor-latin'> substance/Add substance</span></b> to create
1449a new one (you will be asked for a name and the set of elements in two successive
1450popup windows). From this information the scattering density and that as
1451affected by resonant scattering for the listed wavelength is displayed (the
1452wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span
1453style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1454mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree
1455item if needed). The resonant scattering value is used for contrast
1456calculations.</p>
1457
1458<h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark:
1459_Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation
1460and Refinement of Log Normal Particle Model</span></h2>
1461
1462<p class=MsoNormal>You are now ready to attempt fitting the data with a log
1463normal distribution of spherical particles. Thus you’ll need to select <b
1464style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1465mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1466under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1467mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1468data.dat</span></b> from the GSAS-II tree; the data window will display the <b
1469style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1470mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b>
1471display;<span style='mso-no-proof:yes'> </span>change this to <b
1472style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1473mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>
1474using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1475mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b>
1476pull down. NB: GSAS-II will remember your selection the next time you enter
1477this <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1478mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1479data tree item.</p>
1480
1481<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1482 id="Picture_x0020_27" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:468pt;
1483 height:227.25pt;visibility:visible;mso-wrap-style:square'>
1484 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image029.png"
1485  o:title=""/>
1486</v:shape><![endif]--><![if !vml]><img width=624 height=303
1487src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
1488
1489<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1490
1491<p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span
1492style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1493mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you
1494would know that there were two populations of particles in the sample. One had
1495a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will
1496also need something to describe the very lowest Q portion of the data. Do <b
1497style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1498mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1499from the menu; the data window will change and the plots will be refreshed.
1500Your first step is to change the <b style='mso-bidi-font-weight:normal'><span
1501style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1502mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1503normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1504minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure
1505the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1506mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1507is something reasonable (<b style='mso-bidi-font-weight:normal'><span
1508style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1509mso-hansi-theme-font:minor-latin'>0.12</span></b>) based on the data at highest
1510Q; again the data window and plots will be refreshed. Click on one of the
1511slider buttons to force a calculation.</p>
1512
1513<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1514 id="Picture_x0020_28" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:468pt;
1515 height:258pt;visibility:visible;mso-wrap-style:square'>
1516 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image031.png"
1517  o:title=""/>
1518</v:shape><![endif]--><![if !vml]><img width=624 height=344
1519src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1520
1521<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1522
1523<p class=MsoNormal>The data plot shows a horizontal red line for the background
1524and a green one calculated from your selected model. </p>
1525
1526<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1527 id="Picture_x0020_29" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:412.5pt;
1528 height:354pt;visibility:visible;mso-wrap-style:square'>
1529 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image033.png"
1530  o:title=""/>
1531</v:shape><![endif]--><![if !vml]><img width=550 height=472
1532src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
1533
1534<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1535
1536<p class=MsoNormal>You can manually adjust the calculated curve by using the
1537sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1538style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1539mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1540normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1541minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span
1542class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1543"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1544minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1545style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1546mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span
1547class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1548"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1549minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1550style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1551mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is
1552roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1553"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1554minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of
1555magnitude; their range is reset if a value is entered in the value field. After
1556changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1557style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1558mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1559normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1560minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b
1561style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1562mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b>
1563and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1564style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1565mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1566normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1567minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> to <b
1568style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1569mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b>
1570my plot is</p>
1571
1572<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1573 id="Picture_x0020_30" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:441.75pt;
1574 height:378.75pt;visibility:visible;mso-wrap-style:square'>
1575 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image035.png"
1576  o:title=""/>
1577</v:shape><![endif]--><![if !vml]><img width=589 height=505
1578src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1579
1580<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1581
1582<p class=MsoNormal>There is an obvious discrepancy at low Q and a much less
1583obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å
1584peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1585"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1586minor-latin'>Size Distribution</span></b> result. Do another <b
1587style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1588mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1589to include it. The data window now shows two components</p>
1590
1591<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1592 id="Picture_x0020_31" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:468pt;
1593 height:398.25pt;visibility:visible;mso-wrap-style:square'>
1594 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image037.png"
1595  o:title=""/>
1596</v:shape><![endif]--><![if !vml]><img width=624 height=531
1597src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1598
1599<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1600
1601<p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span
1602style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1603mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset
1604to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1605mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b>
1606to save you the easily forgotten step of setting it. Change <span class=SpellE><b
1607style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1608mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1609style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1610mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1611to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1612mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b>
1613(i.e. œ of 150) and reduce <span class=SpellE><b style='mso-bidi-font-weight:
1614normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1615minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1616style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1617mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1618to make the green curve better match the data (you can inset ‘<b
1619style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1620mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0</span></b>’s
1621in the value &amp; play with the slider – something like <b style='mso-bidi-font-weight:
1622normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1623minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My
1624fit looked like</p>
1625
1626<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1627 id="Picture_x0020_32" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:435pt;
1628 height:372.75pt;visibility:visible;mso-wrap-style:square'>
1629 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image039.png"
1630  o:title=""/>
1631</v:shape><![endif]--><![if !vml]><img width=580 height=497
1632src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
1633
1634<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1635
1636<p class=MsoNormal>Finally we need to deal with the low Q region – this is
1637probably due to some agglomeration of the 1300Å articles which is best
1638described by a pure <span class=SpellE>Porod</span> power law scattering model.
1639Do another <b style='mso-bidi-font-weight:normal'><span style='font-family:
1640"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1641minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight:
1642normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1643minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection
1644to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1645style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1646mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component
1647is then (I’ve shrunk the window &amp; moved the scroll bar).</p>
1648
1649<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1650 id="Picture_x0020_33" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468pt;
1651 height:313.5pt;visibility:visible;mso-wrap-style:square'>
1652 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image041.png"
1653  o:title=""/>
1654</v:shape><![endif]--><![if !vml]><img width=624 height=418
1655src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
1656
1657<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1658
1659<p class=MsoNormal>The green curve on the plot looks very poor</p>
1660
1661<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1662 id="Picture_x0020_34" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:444pt;
1663 height:380.25pt;visibility:visible;mso-wrap-style:square'>
1664 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image043.png"
1665  o:title=""/>
1666</v:shape><![endif]--><![if !vml]><img width=592 height=507
1667src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
1668
1669<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1670
1671<p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span>
1672component variables. Remembering that this is likely to be an agglomeration of
16731300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight:
1674normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1675minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1676style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1677mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b>
1678to that value. That immediately restores the higher Q portion of the fit.</p>
1679
1680<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1681 id="Picture_x0020_35" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:468pt;
1682 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1683 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image045.png"
1684  o:title=""/>
1685</v:shape><![endif]--><![if !vml]><img width=624 height=535
1686src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
1687
1688<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1689
1690<p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight:
1691normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1692minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1693style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1694mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1695(power law exponent) slider to adjust the fit. In this case setting <span
1696class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1697"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1698minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1699style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1700mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight:
1701normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1702minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty
1703good fit without needing to adjust the <span class=SpellE><b style='mso-bidi-font-weight:
1704normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1705minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1706style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1707mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b>
1708<span class=SpellE>prefactor</span>.</p>
1709
1710<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1711 id="Picture_x0020_36" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:468pt;
1712 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1713 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image047.png"
1714  o:title=""/>
1715</v:shape><![endif]--><![if !vml]><img width=624 height=535
1716src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
1717
1718<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1719
1720<p class=MsoNormal>Finally, you can refine these coefficients to find the best
1721fit to the data. As a beginner, I’d start by refining just the two <span
1722class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1723"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1724minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1725style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1726mso-hansi-theme-font:minor-latin'> Volume</span></b> and the <span
1727class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1728"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1729minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1730style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1731mso-hansi-theme-font:minor-latin'> B</span></b> along with the <b
1732style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1733mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1734parameter (one might be able to refine “everything” at once, but then again it
1735might not work). Check the <b style='mso-bidi-font-weight:normal'><span
1736style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1737mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span>
1738for these parameters. Do <b style='mso-bidi-font-weight:normal'><span
1739style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1740mso-hansi-theme-font:minor-latin'>Models/Fit </span></b>to do the least squares
1741refinement; convergence will occur very quickly. NB: if the refinement messes
1742up, you can recover the previous result; do <b style='mso-bidi-font-weight:
1743normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1744minor-latin;mso-hansi-theme-font:minor-latin'>Models/Undo</span></b> to
1745recover. Then add the two <span class=SpellE><b style='mso-bidi-font-weight:
1746normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1747minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1748style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1749mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1750and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1751style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1752mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1753normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1754minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the
1755refinement, again convergence is easily obtained. Finally, add the two <span
1756class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1757"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1758minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1759style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1760mso-hansi-theme-font:minor-latin'> <span class=SpellE>StdDev</span></span></b>
1761and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1762style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1763mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1764normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1765minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> parameters (a
1766total of ten) to the list. The result is a really nice fit to the data with
1767reasonable values; the console window shows the full results of the refinement</p>
1768
1769<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1770 id="Picture_x0020_37" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt;
1771 height:196.5pt;visibility:visible;mso-wrap-style:square'>
1772 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image049.png"
1773  o:title=""/>
1774</v:shape><![endif]--><![if !vml]><img width=624 height=262
1775src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
1776
1777<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1778
1779<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1780 id="Picture_x0020_38" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:429pt;
1781 height:367.5pt;visibility:visible;mso-wrap-style:square'>
1782 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image051.png"
1783  o:title=""/>
1784</v:shape><![endif]--><![if !vml]><img width=572 height=490
1785src="Fitting%20Small%20Angle%20Scattering%20Data_files/image024.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
1786
1787<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1788
1789<p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span
1790style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1791mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these
1792results are plotted as component curves on that plot as well</p>
1793
1794<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1795 id="Picture_x0020_39" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
1796 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1797 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image053.png"
1798  o:title=""/>
1799</v:shape><![endif]--><![if !vml]><img width=624 height=535
1800src="Fitting%20Small%20Angle%20Scattering%20Data_files/image025.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
1801
1802<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1803
1804<p class=MsoNormal>This is the sort of agreement one should expect between the best
1805log normal fit and the size distribution. To save these results you must do <b
1806style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1807mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1808project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1809style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1810mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> menu.</p>
1811
1812<h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2>
1813
1814<p class=MsoNormal>For the Unified model there is assumed to be particles with some
1815radius of gyration (<span class=SpellE>Guinier</span> model) with a power law
1816distribution tail (<span class=SpellE>Porod</span> model). This can be set for
1817your model by changing the <b style='mso-bidi-font-weight:normal'><span
1818style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1819mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two
1820components to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1821"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1822minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost
1823by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight:
1824normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1825minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span
1826class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1827"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1828minor-latin'>LogNormal</span></b></span>. The data window values give the
1829defaults for these components</p>
1830
1831<p class=MsoNormal><span style='mso-no-proof:yes'><span
1832style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_40"
1833 o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt;height:459.75pt;
1834 visibility:visible;mso-wrap-style:square'>
1835 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image026.png"
1836  o:title=""/>
1837</v:shape><![endif]--><![if !vml]><img width=624 height=613
1838src="Fitting%20Small%20Angle%20Scattering%20Data_files/image027.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
1839
1840<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1841
1842<p class=MsoNormal>And the plot shows a poor fit</p>
1843
1844<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1845 id="Picture_x0020_41" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:468pt;
1846 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1847 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image028.png"
1848  o:title=""/>
1849</v:shape><![endif]--><![if !vml]><img width=624 height=535
1850src="Fitting%20Small%20Angle%20Scattering%20Data_files/image055.png" v:shapes="Picture_x0020_41"><![endif]></span></p>
1851
1852<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1853
1854<p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight:
1855normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1856minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1857style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1858mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1859class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight:
1860normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1861minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1862results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1863"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1864minor-latin'>700</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
1865style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1866mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span
1867class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1868"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1869minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1870style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1871mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span
1872class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1873"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1874minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1875style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1876mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700
1877one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1878mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>.
1879Next, change the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1880style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1881mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1882normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1883minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span
1884class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1885"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1886minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1887style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1888mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b>
1889one to be about the Intensity value for the lower Q bump in the data (~<b
1890style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1891mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>).
1892Finally, reduce the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1893style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1894mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1895normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1896minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> value for the <span
1897class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1898"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1899minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1900style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1901mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b>
1902component to get the best fit to the data (~<b style='mso-bidi-font-weight:
1903normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1904minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window
1905looks like</p>
1906
1907<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1908 id="Picture_x0020_42" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:446.25pt;
1909 height:438.75pt;visibility:visible;mso-wrap-style:square'>
1910 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image056.png"
1911  o:title=""/>
1912</v:shape><![endif]--><![if !vml]><img width=595 height=585
1913src="Fitting%20Small%20Angle%20Scattering%20Data_files/image057.png" v:shapes="Picture_x0020_42"><![endif]></span></p>
1914
1915<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1916
1917<p class=MsoNormal>And the plot looks like</p>
1918
1919<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1920 id="Picture_x0020_43" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;
1921 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1922 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image058.png"
1923  o:title=""/>
1924</v:shape><![endif]--><![if !vml]><img width=624 height=535
1925src="Fitting%20Small%20Angle%20Scattering%20Data_files/image059.png" v:shapes="Picture_x0020_43"><![endif]></span></p>
1926
1927<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1928
1929<p class=MsoNormal>This is probably close enough to do a refinement. Select <b
1930style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1931mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
1932For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1933style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1934mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1935normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1936minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span
1937class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1938"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1939minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1940style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1941mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span
1942class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1943"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1944minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1945style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1946mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span
1947class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1948"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1949minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1950style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1951mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b
1952style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1953mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1954style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1955mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1956and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1957mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background
1958Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight:
1959normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1960minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should
1961rapidly converge to give in the console window</p>
1962
1963<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1964 id="Picture_x0020_44" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:449.25pt;
1965 height:198pt;visibility:visible;mso-wrap-style:square'>
1966 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image060.png"
1967  o:title=""/>
1968</v:shape><![endif]--><![if !vml]><img width=599 height=264
1969src="Fitting%20Small%20Angle%20Scattering%20Data_files/image061.png" v:shapes="Picture_x0020_44"><![endif]></span></p>
1970
1971<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1972
1973<p class=MsoNormal>And the closeness of the fit to the data in the plot is</p>
1974
1975<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1976 id="Picture_x0020_45" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:439.5pt;
1977 height:376.5pt;visibility:visible;mso-wrap-style:square'>
1978 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image062.png"
1979  o:title=""/>
1980</v:shape><![endif]--><![if !vml]><img width=586 height=502
1981src="Fitting%20Small%20Angle%20Scattering%20Data_files/image063.png" v:shapes="Picture_x0020_45"><![endif]></span></p>
1982
1983<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1984
1985<p class=MsoNormal>This fit is almost as close as the log normal one done
1986earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1987style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1988mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1989normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1990minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>
1991values are a bit less than the corresponding <span class=SpellE><b
1992style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1993mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1994style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1995mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1996values obtained earlier. Also note that this model makes no reference to the
1997substance contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span
1998style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1999mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not
2000have curves calculated from this model). To save these results you must do <b
2001style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2002mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
2003project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
2004style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2005mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
2006
2007<p class=MsoNormal>This concludes the SASD modeling tutorial.</p>
2008
2009<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2010
2011<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2012
2013</div>
2014
2015</body>
2016
2017</html>
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