source: Tutorials/SAfit/Fitting Small Angle Scattering Data.htm @ 2793

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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"/>
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425   Name="Intense Quote"/>
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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"/>
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561   Name="Grid Table 1 Light Accent 4"/>
562  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
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567   Name="Grid Table 6 Colorful Accent 4"/>
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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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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 class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1225this tutorial you will fit small angle scattering data for an alumina polishing
1226powder using data from a constant wavelength synchrotron X-ray USAXS instrument.
1227You will use both a lognormal distribution of spherical particles model and a
1228unified <span class=SpellE>Guinier-Porod</span> model. The data were collected
1229from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1230mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders spread onto
1231sticky tape and covered with another layer of the same tape. The data were
1232corrected for background using data collected from two layers of sticky tape.
1233However, the sample thickness is not</span> accurately known <span
1234style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1235mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not
1236calibrated on an absolute scale.<o:p></o:p></span></p>
1237
1238<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1239
1240<h2>Step 1: read in the data file</h2>
1241
1242<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1243style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1244style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>If
1245you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight:
1246normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1247minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1248tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family:
1249"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1250minor-latin'>File/Open project…</span></b> menu item to retrieve the data;
1251plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b
1252style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1253mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span
1254style='mso-element:field-begin'></span><span
1255style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span
1256style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1257style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1258mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 2: Set
1259Limits<!--[if gte mso 9]><xml>
1260 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data>
1261</xml><![endif]--></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1262normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1263minor-latin;mso-hansi-theme-font:minor-latin'><span style='mso-element:field-end'></span></span></b><![endif]-->.
1264Otherwise, use the <b style='mso-bidi-font-weight:normal'><span
1265style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1266mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Import/Small
1267Angle Data/from q (A-1) step X-ray QIE data file</span></b> menu item to read
1268the data file into GSAS-II. This read option is set to read three column small
1269angle scattering data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated
1270standard deviation in intensity; there may be a header with metadata
1271information in the front of this file.<span style='mso-spacerun:yes'> 
1272</span>Change the file directory to <span class=SpellE><b style='mso-bidi-font-weight:
1273normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1274minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SAfit</span></b></span><b
1275style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1276mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1277minor-latin'>/data</span></b><span style='font-family:"Calibri",sans-serif;
1278mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1279minor-latin'> to find the file</span>; you will have to select the <b
1280style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1281mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file
1282(*.*)</span></b> filter to see it.</p>
1283
1284<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1285style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1286style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1287the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1288mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1289minor-latin'>alumina data.dat</span></b><span style='font-family:"Calibri",sans-serif;
1290mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1291minor-latin'> data</span> file in the first dialog and press <b
1292style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1293mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1294minor-latin'>Open</span></b>. There will be a Dialog box asking <span
1295class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1296"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1297minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b
1298style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1299mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1300minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1301style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1302mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1303minor-latin'>Yes</span></b></span> button to proceed.</p>
1304
1305<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1306style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1307mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data
1308tree</span></b> window will have several entries and the plot window will show
1309the SASD pattern as a log-log plot of intensity vs. Q</p>
1310
1311<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1312 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1313 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1314 <v:stroke joinstyle="miter"/>
1315 <v:formulas>
1316  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1317  <v:f eqn="sum @0 1 0"/>
1318  <v:f eqn="sum 0 0 @1"/>
1319  <v:f eqn="prod @2 1 2"/>
1320  <v:f eqn="prod @3 21600 pixelWidth"/>
1321  <v:f eqn="prod @3 21600 pixelHeight"/>
1322  <v:f eqn="sum @0 0 1"/>
1323  <v:f eqn="prod @6 1 2"/>
1324  <v:f eqn="prod @7 21600 pixelWidth"/>
1325  <v:f eqn="sum @8 21600 0"/>
1326  <v:f eqn="prod @7 21600 pixelHeight"/>
1327  <v:f eqn="sum @10 21600 0"/>
1328 </v:formulas>
1329 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1330 <o:lock v:ext="edit" aspectratio="t"/>
1331</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75"
1332 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1333 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png"
1334  o:title=""/>
1335</v:shape><![endif]--><![if !vml]><img width=700 height=600
1336src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1337
1338<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1339
1340<p class=MsoNormal>For this step we will reposition the limits to exclude only
1341the last point in the pattern as it does appear to be somewhat suspect (see
1342plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1343"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1344minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span
1345style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1346mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the
1347GSAS-II tree. Set the upper limit using the cursor on the plot by picking the
1348next-to-last point on the curve with the left or right mouse button. If needed
1349reposition the lower limit to be the 1<sup>st</sup> data <span class=SpellE>point.The</span>
1350limits window should look like</p>
1351
1352<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1353 id="Picture_x0020_24" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:225pt;
1354 height:96.75pt;visibility:visible;mso-wrap-style:square'>
1355 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image024.png"
1356  o:title=""/>
1357</v:shape><![endif]--><![if !vml]><img width=300 height=129
1358src="Fitting%20Small%20Angle%20Scattering%20Data_files/image024.png" v:shapes="Picture_x0020_24"><![endif]></span><span
1359style='mso-spacerun:yes'> </span></p>
1360
1361<h2>Step 3 Select the scattering substances for your sample</h2>
1362
1363<p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this
1364step in the </span><b style='mso-bidi-font-weight:normal'><span
1365style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1366mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size Distribution</span></b><span
1367style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b
1368style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1369mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1370yes'><span style='mso-element:field-begin'></span><span
1371style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span
1372style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1373style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1374mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4
1375Creation and Refinement of Log Normal Particle Model<span style='mso-no-proof:
1376yes'><!--[if gte mso 9]><xml>
1377 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data>
1378</xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1379normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1380minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span
1381style='mso-element:field-end'></span></span></b><![endif]--><span
1382style='mso-no-proof:yes'>. Two substances need to be defined for your sample to
1383give the anticipated scattering contrast; in this case one is alumina and the
1384other is “vacuum” (really air). Parameters for a number of substances are
1385defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1386style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1387mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1388style='mso-no-proof:yes'>. You can add your own substances to this or better
1389put them in </span><b style='mso-bidi-font-weight:normal'><span
1390style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1391mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1392style='mso-no-proof:yes'>; this is read after Substances.py when you load
1393substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1394normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1395minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> under <b
1396style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1397mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1398data.dat</span></b> from the GSAS-II tree. Then do <span class=GramE><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'>Edit</span></b></span><b
1401style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1402mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> substance/Load</span></b>
1403<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1404mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
1405minor-latin'>substance</span></b> from the menu; a popup window will appear
1406with possible selections</p>
1407
1408<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1409 id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt;
1410 height:252pt;visibility:visible;mso-wrap-style:square'>
1411 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png"
1412  o:title=""/>
1413</v:shape><![endif]--><![if !vml]><img width=346 height=336
1414src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1415
1416<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1417
1418<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1419style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1420mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <b
1421style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1422mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1423the relevant data for alumina (and vacuum&amp; unit scatter) are displayed next</p>
1424
1425<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1426 id="_x0000_i1044" type="#_x0000_t75" style='width:280.5pt;height:246pt;
1427 visibility:visible;mso-wrap-style:square'>
1428 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image025.png"
1429  o:title=""/>
1430</v:shape><![endif]--><![if !vml]><img width=374 height=328
1431src="Fitting%20Small%20Angle%20Scattering%20Data_files/image025.png" v:shapes="_x0000_i1044"><![endif]></span><span
1432style='mso-spacerun:yes'> </span></p>
1433
1434<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1435
1436<p class=MsoNormal>If desired you can load/add as many substances as you desire
1437into this list; you can also delete any of them (except vacuum &amp; unit
1438scatter). The composition, volume occupied by the atoms in the composition and
1439the density are given for each substance. These can each be edited; the other
1440values will change accordingly. If your substance isn’t in the list, you can <span
1441class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1442"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1443minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight:normal'><span
1444style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1445mso-hansi-theme-font:minor-latin'> substance/Add substance</span></b> to create
1446a new one (you will be asked for a name and the set of elements in two
1447successive popup windows). From this information the scattering density and
1448that as affected by resonant scattering for the listed wavelength is displayed
1449(the wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span
1450style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1451mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree
1452item if needed). The resonant scattering value is used for contrast
1453calculations.</p>
1454
1455<h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark:
1456_Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation
1457and Refinement of Log Normal Particle Model</span></h2>
1458
1459<p class=MsoNormal>You are now ready to attempt fitting the data with a log
1460normal distribution of spherical particles. Thus you’ll need to select <b
1461style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1462mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1463under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1464mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1465data.dat</span></b> from the GSAS-II tree; the data window will display the <b
1466style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1467mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b>
1468display;<span style='mso-no-proof:yes'> </span>change this to <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'>Particle fit</span></b>
1471using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1472mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b>
1473pull down. NB: GSAS-II will remember your selection the next time you enter
1474this <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'>Models</span></b>
1476data tree item.</p>
1477
1478<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1479 id="_x0000_i1043" type="#_x0000_t75" style='width:420.75pt;height:133.5pt;
1480 visibility:visible;mso-wrap-style:square'>
1481 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image026.png"
1482  o:title=""/>
1483</v:shape><![endif]--><![if !vml]><img width=561 height=178
1484src="Fitting%20Small%20Angle%20Scattering%20Data_files/image026.png" v:shapes="_x0000_i1043"><![endif]></span></p>
1485
1486<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1487
1488<p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span
1489style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1490mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you
1491would know that there were two populations of particles in the sample. One had
1492a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will
1493also need something to describe the very lowest Q portion of the data. Do <b
1494style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1495mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1496from the menu; the data window will change and the plots will be refreshed.
1497Your first step is to change the <b style='mso-bidi-font-weight:normal'><span
1498style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1499mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1500normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1501minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure
1502the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1503mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1504is something reasonable (<b style='mso-bidi-font-weight:normal'><span
1505style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1506mso-hansi-theme-font:minor-latin'>0.12</span></b>) based on the data at highest
1507Q; again the data window and plots will be refreshed. Click on one of the
1508slider buttons to force a calculation.</p>
1509
1510<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1511 id="Picture_x0020_25" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:379.5pt;
1512 height:315pt;visibility:visible;mso-wrap-style:square'>
1513 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png"
1514  o:title=""/>
1515</v:shape><![endif]--><![if !vml]><img width=506 height=420
1516src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
1517
1518<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1519
1520<p class=MsoNormal>The data plot shows a horizontal red line for the background
1521and a green one calculated from your selected model. </p>
1522
1523<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1524 id="Picture_x0020_26" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;
1525 height:450pt;visibility:visible;mso-wrap-style:square'>
1526 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png"
1527  o:title=""/>
1528</v:shape><![endif]--><![if !vml]><img width=700 height=600
1529src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
1530
1531<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1532
1533<p class=MsoNormal>You can manually adjust the calculated curve by using the
1534sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1535style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1536mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1537normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1538minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span
1539class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1540"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1541minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1542style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1543mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span
1544class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1545"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1546minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1547style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1548mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is
1549roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1550"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1551minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of
1552magnitude; their range is reset if a value is entered in the value field. After
1553changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1554style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1555mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1556normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1557minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b
1558style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1559mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b>
1560and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1561style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1562mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1563normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1564minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> to <b
1565style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1566mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b>
1567my plot is</p>
1568
1569<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1570 id="_x0000_i1040" type="#_x0000_t75" style='width:525pt;height:450pt;
1571 visibility:visible;mso-wrap-style:square'>
1572 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png"
1573  o:title=""/>
1574</v:shape><![endif]--><![if !vml]><img width=700 height=600
1575src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="_x0000_i1040"><![endif]></span></p>
1576
1577<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1578
1579<p class=MsoNormal>There is an obvious discrepancy at low Q and a much less
1580obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å
1581peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1582"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1583minor-latin'>Size Distribution</span></b> result. Do another <b
1584style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1585mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1586to include it. The data window now shows two components</p>
1587
1588<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1589 id="Picture_x0020_28" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:379.5pt;
1590 height:487.5pt;visibility:visible;mso-wrap-style:square'>
1591 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png"
1592  o:title=""/>
1593</v:shape><![endif]--><![if !vml]><img width=506 height=650
1594src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1595
1596<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1597
1598<p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span
1599style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1600mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset
1601to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1602mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b>
1603to save you the easily forgotten step of setting it. Change <span class=SpellE><b
1604style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1605mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1606style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1607mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1608to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1609mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b>
1610(i.e. œ of 150) and reduce <span class=SpellE><b style='mso-bidi-font-weight:
1611normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1612minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1613style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1614mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1615to make the green curve better match the data (you can inset ‘<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'>0</span></b>’s
1618in the value &amp; play with the slider – something like <b style='mso-bidi-font-weight:
1619normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1620minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My
1621fit looked like</p>
1622
1623<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1624 id="Picture_x0020_29" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1625 height:450pt;visibility:visible;mso-wrap-style:square'>
1626 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png"
1627  o:title=""/>
1628</v:shape><![endif]--><![if !vml]><img width=700 height=600
1629src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
1630
1631<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1632
1633<p class=MsoNormal>Finally we need to deal with the low Q region – this is
1634probably due to some agglomeration of the 1300Å articles which is best
1635described by a pure <span class=SpellE>Porod</span> power law scattering model.
1636Do another <b style='mso-bidi-font-weight:normal'><span style='font-family:
1637"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1638minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight:
1639normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1640minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection
1641to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1642style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1643mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component
1644is then (I’ve shrunk the window &amp; moved the scroll bar).</p>
1645
1646<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1647 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:379.5pt;
1648 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1649 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png"
1650  o:title=""/>
1651</v:shape><![endif]--><![if !vml]><img width=506 height=361
1652src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
1653
1654<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1655
1656<p class=MsoNormal>The green curve on the plot looks very poor</p>
1657
1658<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1659 id="Picture_x0020_12" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
1660 height:450pt;visibility:visible;mso-wrap-style:square'>
1661 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png"
1662  o:title=""/>
1663</v:shape><![endif]--><![if !vml]><img width=700 height=600
1664src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
1665
1666<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1667
1668<p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span>
1669component variables. Remembering that this is likely to be an agglomeration of
16701300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight:
1671normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1672minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1673style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1674mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b>
1675to that value. That immediately restores the higher Q portion of the fit.</p>
1676
1677<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1678 id="Picture_x0020_31" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
1679 height:450pt;visibility:visible;mso-wrap-style:square'>
1680 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png"
1681  o:title=""/>
1682</v:shape><![endif]--><![if !vml]><img width=700 height=600
1683src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1684
1685<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1686
1687<p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight:
1688normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1689minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1690style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1691mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1692(power law exponent) slider to adjust the fit. In this case setting <span
1693class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1694"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1695minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1696style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1697mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight:
1698normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1699minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty
1700good fit without needing to adjust the <span class=SpellE><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'>Dist</span></b></span><b
1703style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1704mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b>
1705<span class=SpellE>prefactor</span>.</p>
1706
1707<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1708 id="Picture_x0020_32" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
1709 height:450pt;visibility:visible;mso-wrap-style:square'>
1710 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png"
1711  o:title=""/>
1712</v:shape><![endif]--><![if !vml]><img width=700 height=600
1713src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
1714
1715<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1716
1717<p class=MsoNormal>Finally, you can refine these coefficients to find the best
1718fit to the data. As a beginner, I’d start by refining just the two <span
1719class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1720"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1721minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1722style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1723mso-hansi-theme-font:minor-latin'> Volume</span></b> and the <span
1724class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1725"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1726minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1727style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1728mso-hansi-theme-font:minor-latin'> B</span></b> along with the <b
1729style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1730mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1731parameters (one might be able to refine “everything” at once, but then again it
1732might not work). Check the <b style='mso-bidi-font-weight:normal'><span
1733style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1734mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span>
1735for these parameters. Do <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'>Models/Fit </span></b>to do the least squares
1738refinement; convergence will occur very quickly. NB: if the refinement messes
1739up, you can recover the previous result; do <b style='mso-bidi-font-weight:
1740normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1741minor-latin;mso-hansi-theme-font:minor-latin'>Models/Undo</span></b> to
1742recover. Then add the two <span class=SpellE><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'>Dist</span></b></span><b
1745style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1746mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1747and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1748style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1749mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1750normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1751minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the
1752refinement, again convergence is easily obtained. Finally, add the two <span
1753class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1754"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1755minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1756style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1757mso-hansi-theme-font:minor-latin'> <span class=SpellE>StdDev</span></span></b> and
1758<span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1761normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1762minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> parameters (a
1763total of ten) to the list. The result is a really nice fit to the data with
1764reasonable values; the console window shows the full results of the refinement</p>
1765
1766<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1767 id="Picture_x0020_33" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:609.75pt;
1768 height:206.25pt;visibility:visible;mso-wrap-style:square'>
1769 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png"
1770  o:title=""/>
1771</v:shape><![endif]--><![if !vml]><img width=813 height=275
1772src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
1773
1774<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1775
1776<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1777 id="Picture_x0020_34" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1778 height:450pt;visibility:visible;mso-wrap-style:square'>
1779 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png"
1780  o:title=""/>
1781</v:shape><![endif]--><![if !vml]><img width=700 height=600
1782src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
1783
1784<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1785
1786<p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span
1787style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1788mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these
1789results are plotted as component curves on that plot as well</p>
1790
1791<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1792 id="Picture_x0020_27" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt;
1793 height:401.25pt;visibility:visible;mso-wrap-style:square'>
1794 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image027.png"
1795  o:title=""/>
1796</v:shape><![endif]--><![if !vml]><img width=624 height=535
1797src="Fitting%20Small%20Angle%20Scattering%20Data_files/image028.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
1798
1799<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1800
1801<p class=MsoNormal>This is the sort of agreement one should expect between the
1802best log normal fit and the size distribution. To save these results you must
1803do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1804mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1805project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1806style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1807mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1808
1809<h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2>
1810
1811<p class=MsoNormal>For the Unified model there is assumed to be particles with
1812some radius of gyration (<span class=SpellE>Guinier</span> model) with a power
1813law distribution tail (<span class=SpellE>Porod</span> model). This can be set
1814for your model by changing the <b style='mso-bidi-font-weight:normal'><span
1815style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1816mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two
1817components to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1818"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1819minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost
1820by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight:
1821normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1822minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span
1823class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1824"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1825minor-latin'>LogNormal</span></b></span>. The data window values give the
1826defaults for these components</p>
1827
1828<p class=MsoNormal><span style='mso-no-proof:yes'><span
1829style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_30"
1830 o:spid="_x0000_i1030" type="#_x0000_t75" style='width:379.5pt;height:546pt;
1831 visibility:visible;mso-wrap-style:square'>
1832 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png"
1833  o:title=""/>
1834</v:shape><![endif]--><![if !vml]><img width=506 height=728
1835src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1836
1837<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1838
1839<p class=MsoNormal>And the plot shows a poor fit</p>
1840
1841<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1842 id="Picture_x0020_36" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
1843 height:450pt;visibility:visible;mso-wrap-style:square'>
1844 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png"
1845  o:title=""/>
1846</v:shape><![endif]--><![if !vml]><img width=700 height=600
1847src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
1848
1849<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1850
1851<p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight:
1852normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1853minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1854style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1855mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1856class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight:
1857normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1858minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1859results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1860"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1861minor-latin'>700</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
1862style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1863mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span
1864class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1865"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1866minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1867style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1868mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span
1869class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1870"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1871minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1872style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1873mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700
1874one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1875mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>.
1876Next, change the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1877style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1878mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1879normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1880minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span
1881class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1882"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1883minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1884style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1885mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b>
1886one to be about the Intensity value for the lower Q bump in the data (~<b
1887style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1888mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>).
1889Finally, reduce the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1890style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1891mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1892normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1893minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> value for the <span
1894class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1895"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1896minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1897style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1898mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b>
1899component to get the best fit to the data (~<b style='mso-bidi-font-weight:
1900normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1901minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window
1902looks like</p>
1903
1904<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1905 id="Picture_x0020_37" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:379.5pt;
1906 height:546pt;visibility:visible;mso-wrap-style:square'>
1907 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png"
1908  o:title=""/>
1909</v:shape><![endif]--><![if !vml]><img width=506 height=728
1910src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
1911
1912<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1913
1914<p class=MsoNormal>And the plot looks like</p>
1915
1916<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1917 id="Picture_x0020_38" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
1918 height:450pt;visibility:visible;mso-wrap-style:square'>
1919 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png"
1920  o:title=""/>
1921</v:shape><![endif]--><![if !vml]><img width=700 height=600
1922src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
1923
1924<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1925
1926<p class=MsoNormal>This is probably close enough to do a refinement. Select <b
1927style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1928mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
1929For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1930style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1931mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1932normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1933minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span
1934class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1935"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1936minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1937style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1938mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span
1939class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1940"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1941minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1942style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1943mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span
1944class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1945"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1946minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1947style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1948mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b
1949style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1950mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1951style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1952mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1953and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1954mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background
1955Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight:
1956normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1957minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should
1958rapidly converge to give in the console window</p>
1959
1960<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1961 id="Picture_x0020_39" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:609.75pt;
1962 height:224.25pt;visibility:visible;mso-wrap-style:square'>
1963 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png"
1964  o:title=""/>
1965</v:shape><![endif]--><![if !vml]><img width=813 height=299
1966src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
1967
1968<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1969
1970<p class=MsoNormal>And the closeness of the fit to the data in the plot is</p>
1971
1972<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1973 id="Picture_x0020_40" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
1974 height:450pt;visibility:visible;mso-wrap-style:square'>
1975 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png"
1976  o:title=""/>
1977</v:shape><![endif]--><![if !vml]><img width=700 height=600
1978src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
1979
1980<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1981
1982<p class=MsoNormal>This fit is almost as close as the log normal one done
1983earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1984style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1985mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1986normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1987minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>
1988values are a bit less than the corresponding <span class=SpellE><b
1989style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1990mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1991style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1992mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1993values obtained earlier. Also note that this model makes no reference to the
1994substance contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span
1995style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1996mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not
1997have curves calculated from this model). To save these results you must do <b
1998style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1999mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
2000project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
2001style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2002mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
2003
2004<p class=MsoNormal>This concludes the SASD modeling tutorial.</p>
2005
2006<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2007
2008<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2009
2010</div>
2011
2012</body>
2013
2014</html>
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