source: Tutorials/SAfit/Fitting Small Angle Scattering Data.htm @ 1740

Last change on this file since 1740 was 1740, checked in by vondreele, 7 years ago

revise SAfit

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414  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 1"/>
415  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
416  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
417  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
418  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
419  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
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427  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
428  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
429  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
430  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
431  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
432  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
433  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
434  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
435  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
436  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
437  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
438  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
439  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
440  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
441  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
442  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
443  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
444  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
445  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
446  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
447  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
448  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
449  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
450  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
451  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
452  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
453  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
454  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
455  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
456  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
457  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
458  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
459  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
460  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
461  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
462  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
463  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
464  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
465  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
466  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
467  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
468  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
469  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
470  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
471  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
472  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
473  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
474  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
475  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
476  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
477  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
478  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
479  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
480  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
481  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
482  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
483  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
484  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
485  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
486  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
487  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
488  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
489  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
490  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
491  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
492  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
493  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
494  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
495  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
496  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
497  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
498  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
499  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
500  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
501  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
502  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
503  <w:LsdException Locked="false" Priority="19" QFormat="true"
504   Name="Subtle Emphasis"/>
505  <w:LsdException Locked="false" Priority="21" QFormat="true"
506   Name="Intense Emphasis"/>
507  <w:LsdException Locked="false" Priority="31" QFormat="true"
508   Name="Subtle Reference"/>
509  <w:LsdException Locked="false" Priority="32" QFormat="true"
510   Name="Intense Reference"/>
511  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
512  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
513   UnhideWhenUsed="true" Name="Bibliography"/>
514  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
515   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
516  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
517  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
518  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
519  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
520  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
521  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
522  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
523  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
524  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
525  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
526  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
527  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
528  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
529  <w:LsdException Locked="false" Priority="46"
530   Name="Grid Table 1 Light Accent 1"/>
531  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
532  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
533  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
534  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
535  <w:LsdException Locked="false" Priority="51"
536   Name="Grid Table 6 Colorful Accent 1"/>
537  <w:LsdException Locked="false" Priority="52"
538   Name="Grid Table 7 Colorful Accent 1"/>
539  <w:LsdException Locked="false" Priority="46"
540   Name="Grid Table 1 Light Accent 2"/>
541  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
542  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
543  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
544  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
545  <w:LsdException Locked="false" Priority="51"
546   Name="Grid Table 6 Colorful Accent 2"/>
547  <w:LsdException Locked="false" Priority="52"
548   Name="Grid Table 7 Colorful Accent 2"/>
549  <w:LsdException Locked="false" Priority="46"
550   Name="Grid Table 1 Light Accent 3"/>
551  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
552  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
553  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
554  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
555  <w:LsdException Locked="false" Priority="51"
556   Name="Grid Table 6 Colorful Accent 3"/>
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558   Name="Grid Table 7 Colorful Accent 3"/>
559  <w:LsdException Locked="false" Priority="46"
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569  <w:LsdException Locked="false" Priority="46"
570   Name="Grid Table 1 Light Accent 5"/>
571  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
572  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
573  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
574  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
575  <w:LsdException Locked="false" Priority="51"
576   Name="Grid Table 6 Colorful Accent 5"/>
577  <w:LsdException Locked="false" Priority="52"
578   Name="Grid Table 7 Colorful Accent 5"/>
579  <w:LsdException Locked="false" Priority="46"
580   Name="Grid Table 1 Light Accent 6"/>
581  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
582  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
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585  <w:LsdException Locked="false" Priority="51"
586   Name="Grid Table 6 Colorful Accent 6"/>
587  <w:LsdException Locked="false" Priority="52"
588   Name="Grid Table 7 Colorful Accent 6"/>
589  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
590  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
591  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
592  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
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594  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
595  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
596  <w:LsdException Locked="false" Priority="46"
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598  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
599  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
600  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
601  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
602  <w:LsdException Locked="false" Priority="51"
603   Name="List Table 6 Colorful Accent 1"/>
604  <w:LsdException Locked="false" Priority="52"
605   Name="List Table 7 Colorful Accent 1"/>
606  <w:LsdException Locked="false" Priority="46"
607   Name="List Table 1 Light Accent 2"/>
608  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
609  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
610  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
611  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
612  <w:LsdException Locked="false" Priority="51"
613   Name="List Table 6 Colorful Accent 2"/>
614  <w:LsdException Locked="false" Priority="52"
615   Name="List Table 7 Colorful Accent 2"/>
616  <w:LsdException Locked="false" Priority="46"
617   Name="List Table 1 Light Accent 3"/>
618  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
619  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
620  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
621  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
622  <w:LsdException Locked="false" Priority="51"
623   Name="List Table 6 Colorful Accent 3"/>
624  <w:LsdException Locked="false" Priority="52"
625   Name="List Table 7 Colorful Accent 3"/>
626  <w:LsdException Locked="false" Priority="46"
627   Name="List Table 1 Light Accent 4"/>
628  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
629  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
630  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
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632  <w:LsdException Locked="false" Priority="51"
633   Name="List Table 6 Colorful Accent 4"/>
634  <w:LsdException Locked="false" Priority="52"
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636  <w:LsdException Locked="false" Priority="46"
637   Name="List Table 1 Light Accent 5"/>
638  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
639  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
640  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
641  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
642  <w:LsdException Locked="false" Priority="51"
643   Name="List Table 6 Colorful Accent 5"/>
644  <w:LsdException Locked="false" Priority="52"
645   Name="List Table 7 Colorful Accent 5"/>
646  <w:LsdException Locked="false" Priority="46"
647   Name="List Table 1 Light Accent 6"/>
648  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
649  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
650  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
651  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
652  <w:LsdException Locked="false" Priority="51"
653   Name="List Table 6 Colorful Accent 6"/>
654  <w:LsdException Locked="false" Priority="52"
655   Name="List Table 7 Colorful Accent 6"/>
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1201<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1202
1203<div class=WordSection1>
1204
1205<h1><strong>Fitting</strong><strong><span style='mso-bidi-font-weight:normal'>
1206Small Angle X-Ray Data – Alumina Powder</span><o:p></o:p></strong></h1>
1207
1208<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1209this tutorial you will fit small angle scattering data for an alumina polishing
1210powder using data from a constant wavelength synchrotron X-ray USAXS instrument.
1211You will use both a lognormal distribution of spherical particles model and a
1212unified <span class=SpellE>Guinier-Porod</span> model. The data were collected
1213from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1214mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders spread onto
1215sticky tape and covered with another layer of the same tape. The data were
1216corrected for background using data collected from two layers of sticky tape.
1217However, the sample thickness is not</span> accurately known <span
1218style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1219mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not
1220calibrated on an absolute scale.<o:p></o:p></span></p>
1221
1222<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1223
1224<h2>Step 1: read in the data file</h2>
1225
1226<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1227style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1228style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>If
1229you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight:
1230normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1231minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1232tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family:
1233"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1234minor-latin'>File/Open project…</span></b> menu item to retrieve the data;
1235plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b
1236style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1237mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span
1238style='mso-element:field-begin'></span><span
1239style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span
1240style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1241style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1242mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 2: Set
1243Limits<!--[if gte mso 9]><xml>
1244 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data>
1245</xml><![endif]--></span></b><!--[if supportFields]><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'><span style='mso-element:field-end'></span></span></b><![endif]-->.
1248Otherwise, use the <b style='mso-bidi-font-weight:normal'><span
1249style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1250mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1251minor-latin'>Import/Small Angle Data/from q (A-1) step X-ray QIE data file</span></b>
1252menu item to read the data file into GSAS-II. This read option is set to read
1253three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>,
1254intensity and estimated standard deviation in intensity; there may be a header
1255with metadata information in the front of this file.<span
1256style='mso-spacerun:yes'>  </span>Change the file directory to <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;mso-bidi-font-family:
1259Calibri;mso-bidi-theme-font:minor-latin'>exercises/<span class=SpellE>SAsize</span></span></b><span
1260style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1261mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1262minor-latin'> to find the file</span>; you will have to select the <b
1263style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1264mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file
1265(*.*)</span></b> filter to see it.</p>
1266
1267<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1268style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1269style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1270the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1271mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1272Calibri;mso-bidi-theme-font:minor-latin'>alumina data.dat</span></b><span
1273style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1274mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1275minor-latin'> data</span> file in the first dialog and press <b
1276style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1277mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1278Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
1279Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1280style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1281mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1282minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span
1283style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1284mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1285minor-latin'> this the file you want?</span></b> Press <span class=GramE><b
1286style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1287mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1288Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to
1289proceed.</p>
1290
1291<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1292style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1293mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1294minor-latin'>GSAS-II data tree</span></b> window will have several entries and
1295the plot window will show the SASD pattern as a log-log plot of intensity vs. Q</p>
1296
1297<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1298 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1299 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1300 <v:stroke joinstyle="miter"/>
1301 <v:formulas>
1302  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1303  <v:f eqn="sum @0 1 0"/>
1304  <v:f eqn="sum 0 0 @1"/>
1305  <v:f eqn="prod @2 1 2"/>
1306  <v:f eqn="prod @3 21600 pixelWidth"/>
1307  <v:f eqn="prod @3 21600 pixelHeight"/>
1308  <v:f eqn="sum @0 0 1"/>
1309  <v:f eqn="prod @6 1 2"/>
1310  <v:f eqn="prod @7 21600 pixelWidth"/>
1311  <v:f eqn="sum @8 21600 0"/>
1312  <v:f eqn="prod @7 21600 pixelHeight"/>
1313  <v:f eqn="sum @10 21600 0"/>
1314 </v:formulas>
1315 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1316 <o:lock v:ext="edit" aspectratio="t"/>
1317</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75"
1318 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1319 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png"
1320  o:title=""/>
1321</v:shape><![endif]--><![if !vml]><img width=700 height=600
1322src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1323
1324<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1325
1326<p class=MsoNormal>For this step we will reposition the limits to exclude only
1327the last point in the pattern as it does appear to be somewhat suspect (see
1328plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1329"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1330minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span
1331style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1332mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the
1333GSAS-II tree. Set the upper limit using the cursor on the plot by picking the
1334next-to-last point on the curve with the left or right mouse button. The limits
1335window should look like</p>
1336
1337<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1338 id="Picture_x0020_24" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:225pt;
1339 height:195pt;visibility:visible;mso-wrap-style:square'>
1340 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png"
1341  o:title=""/>
1342</v:shape><![endif]--><![if !vml]><img width=300 height=260
1343src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png" v:shapes="Picture_x0020_24"><![endif]></span><span
1344style='mso-spacerun:yes'> </span></p>
1345
1346<h2>Step 3 Select the scattering substances for your sample</h2>
1347
1348<p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this
1349step in the </span><b style='mso-bidi-font-weight:normal'><span
1350style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1351mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size Distribution</span></b><span
1352style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b
1353style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1354mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1355yes'><span style='mso-element:field-begin'></span><span
1356style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span
1357style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1358style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1359mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4
1360Creation and Refinement of Log Normal Particle Model<span style='mso-no-proof:
1361yes'><!--[if gte mso 9]><xml>
1362 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data>
1363</xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1364normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1365minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span
1366style='mso-element:field-end'></span></span></b><![endif]--><span
1367style='mso-no-proof:yes'>. Two substances need to be defined for your sample to
1368give the anticipated scattering contrast; in this case one is alumina and the
1369other is “vacuum” (really air). Parameters for a number of substances are
1370defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1371style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1372mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1373style='mso-no-proof:yes'>. You can add your own substances to this or better
1374put them in </span><b style='mso-bidi-font-weight:normal'><span
1375style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1376mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1377style='mso-no-proof:yes'>; this is read after Substances.py when you load
1378substances for your selection. </span>Select <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'>Substances</span></b> under <b
1381style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1382mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1383data.dat</span></b> from the GSAS-II tree. Then do <b style='mso-bidi-font-weight:
1384normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1385minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance
1386from the menu; a popup window will appear with possible selections</p>
1387
1388<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1389 id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt;
1390 height:252pt;visibility:visible;mso-wrap-style:square'>
1391 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png"
1392  o:title=""/>
1393</v:shape><![endif]--><![if !vml]><img width=346 height=336
1394src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1395
1396<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1397
1398<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1399style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1400mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <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'>OK</span></b>;
1403the relevant data for alumina (and vacuum) are displayed next</p>
1404
1405<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1406 id="Picture_x0020_4" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:259.5pt;
1407 height:195pt;visibility:visible;mso-wrap-style:square'>
1408 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png"
1409  o:title=""/>
1410</v:shape><![endif]--><![if !vml]><img width=346 height=260
1411src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span><span
1412style='mso-spacerun:yes'> </span></p>
1413
1414<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1415
1416<p class=MsoNormal>If desired you can load/add as many substances as you desire
1417into this list; you can also delete any of them (except vacuum). The
1418composition, volume occupied by the atoms in the composition and the density
1419are given for each substance. These can each be edited; the other values will
1420change accordingly. If your substance isn’t in the list, you can <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'>Edit/Add
1423substance</span></b> to create a new one (you will be asked for a name and the
1424set of elements in two successive popup windows). From this information the
1425scattering density and that as affected by resonant scattering for the listed
1426wavelength is displayed (the wavelength can be changed in the <b
1427style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1428mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
1429Parameters</span></b> GSAS-II tree item if needed). The resonant scattering
1430value is used for contrast calculations.</p>
1431
1432<h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark:
1433_Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation
1434and Refinement of Log Normal Particle Model</span></h2>
1435
1436<p class=MsoNormal>You are now ready to attempt fitting the data with a log
1437normal distribution of spherical particles. Thus you’ll need to select <b
1438style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1439mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1440under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1441mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1442data.dat</span></b> from the GSAS-II tree; the data window will display the <b
1443style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1444mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b>
1445display;<span style='mso-no-proof:yes'> </span>change this to <b
1446style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1447mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>
1448using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1449mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b>
1450pull down. NB: GSAS-II will remember your selection the next time you enter
1451this <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1452mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1453data tree item.</p>
1454
1455<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1456 id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:379.5pt;
1457 height:142.5pt;visibility:visible;mso-wrap-style:square'>
1458 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png"
1459  o:title=""/>
1460</v:shape><![endif]--><![if !vml]><img width=506 height=190
1461src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
1462
1463<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1464
1465<p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span
1466style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1467mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you
1468would know that there were two populations of particles in the sample. One had
1469a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will
1470also need something to describe the very lowest Q portion of the data. Do <b
1471style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1472mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1473from the menu; the data window will change and the plots will be refreshed.
1474Your first step is to change the <b style='mso-bidi-font-weight:normal'><span
1475style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1476mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1477normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1478minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure
1479the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1480mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1481is something reasonable (<b style='mso-bidi-font-weight:normal'><span
1482style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1483mso-hansi-theme-font:minor-latin'>0.11</span></b>) based on the data at highest
1484Q; again the data window and plots will be refreshed. Click on one of the
1485slider buttons to force a calculation.</p>
1486
1487<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1488 id="Picture_x0020_25" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:379.5pt;
1489 height:315pt;visibility:visible;mso-wrap-style:square'>
1490 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png"
1491  o:title=""/>
1492</v:shape><![endif]--><![if !vml]><img width=506 height=420
1493src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
1494
1495<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1496
1497<p class=MsoNormal>The data plot shows a horizontal red line for the background
1498and a green one calculated from your selected model. </p>
1499
1500<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1501 id="Picture_x0020_26" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;
1502 height:450pt;visibility:visible;mso-wrap-style:square'>
1503 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png"
1504  o:title=""/>
1505</v:shape><![endif]--><![if !vml]><img width=700 height=600
1506src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
1507
1508<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1509
1510<p class=MsoNormal>You can manually adjust the calculated curve by using the
1511sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1512style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1513mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1514normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1515minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span
1516class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1517"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1518minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1519style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1520mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span
1521class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1522"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1523minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1524style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1525mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is
1526roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1527"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1528minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of
1529magnitude; their range is reset if a value is entered in the value field. After
1530changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1531style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1532mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1533normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1534minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b
1535style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1536mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b>
1537and <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> to <b
1542style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1543mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b>
1544my plot is</p>
1545
1546<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1547 id="Picture_x0020_27" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1548 height:450pt;visibility:visible;mso-wrap-style:square'>
1549 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png"
1550  o:title=""/>
1551</v:shape><![endif]--><![if !vml]><img width=700 height=600
1552src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
1553
1554<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1555
1556<p class=MsoNormal>There is an obvious discrepancy at low Q and a much less
1557obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å
1558peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1559"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1560minor-latin'>Size Distribution</span></b> result. Do another <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'>Models/Add</span></b>
1563to include it. The data window now shows two components</p>
1564
1565<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1566 id="Picture_x0020_28" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:379.5pt;
1567 height:487.5pt;visibility:visible;mso-wrap-style:square'>
1568 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png"
1569  o:title=""/>
1570</v:shape><![endif]--><![if !vml]><img width=506 height=650
1571src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1572
1573<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1574
1575<p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span
1576style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1577mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset
1578to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1579mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b>
1580to save you the easily forgotten step of setting it. Change <span class=SpellE><b
1581style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1582mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1583style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1584mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1585to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1586mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b>
1587(i.e. œ of 150) and reduce <span class=SpellE><b style='mso-bidi-font-weight:
1588normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1589minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1590style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1591mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1592to make the green curve better match the data (you can inset ‘<b
1593style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1594mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0</span></b>’s
1595in the value &amp; play with the slider – something like <b style='mso-bidi-font-weight:
1596normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1597minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My
1598fit looked like</p>
1599
1600<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1601 id="Picture_x0020_29" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1602 height:450pt;visibility:visible;mso-wrap-style:square'>
1603 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png"
1604  o:title=""/>
1605</v:shape><![endif]--><![if !vml]><img width=700 height=600
1606src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
1607
1608<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1609
1610<p class=MsoNormal>Finally we need to deal with the low Q region – this is
1611probably due to some agglomeration of the 1300Å articles which is best
1612described by a pure <span class=SpellE>Porod</span> power law scattering model.
1613Do another <b style='mso-bidi-font-weight:normal'><span style='font-family:
1614"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1615minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight:
1616normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1617minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection
1618to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1619style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1620mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component
1621is then (I’ve shrunk the window &amp; moved the scroll bar).</p>
1622
1623<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1624 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:379.5pt;
1625 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1626 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png"
1627  o:title=""/>
1628</v:shape><![endif]--><![if !vml]><img width=506 height=361
1629src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
1630
1631<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1632
1633<p class=MsoNormal>The green curve on the plot looks very poor</p>
1634
1635<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1636 id="_x0000_i1036" type="#_x0000_t75" style='width:525pt;height:450pt;
1637 visibility:visible;mso-wrap-style:square'>
1638 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png"
1639  o:title=""/>
1640</v:shape><![endif]--><![if !vml]><img width=700 height=600
1641src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="_x0000_i1036"><![endif]></span></p>
1642
1643<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1644
1645<p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span>
1646component variables. Remembering that this is likely to be an agglomeration of
16471300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight:
1648normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1649minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1650style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1651mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b>
1652to that value. That immediately restores the higher Q portion of the fit.</p>
1653
1654<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1655 id="Picture_x0020_31" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
1656 height:450pt;visibility:visible;mso-wrap-style:square'>
1657 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png"
1658  o:title=""/>
1659</v:shape><![endif]--><![if !vml]><img width=700 height=600
1660src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1661
1662<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1663
1664<p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight:
1665normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1666minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1667style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1668mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1669(power law exponent) slider to adjust the fit. In this case setting <span
1670class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1671"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1672minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1673style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1674mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight:
1675normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1676minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty
1677good fit without needing to adjust the <span class=SpellE><b style='mso-bidi-font-weight:
1678normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1679minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1680style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1681mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b>
1682<span class=SpellE>prefactor</span>.</p>
1683
1684<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1685 id="Picture_x0020_32" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
1686 height:450pt;visibility:visible;mso-wrap-style:square'>
1687 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png"
1688  o:title=""/>
1689</v:shape><![endif]--><![if !vml]><img width=700 height=600
1690src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
1691
1692<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1693
1694<p class=MsoNormal>Finally, you can refine these coefficients to find the best
1695fit to the data. As a beginner, I’d start by refining just the two <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'> Volume</span></b> and the <span
1701class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1702"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1703minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1704style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1705mso-hansi-theme-font:minor-latin'> B</span></b> along with the <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'>Background</span></b>
1708parameters (one might be able to refine “everything” at once, but then again it
1709might not work). Check the <b style='mso-bidi-font-weight:normal'><span
1710style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1711mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span>
1712for these parameters. Do <b style='mso-bidi-font-weight:normal'><span
1713style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1714mso-hansi-theme-font:minor-latin'>Models/Fit </span></b>to do the least squares
1715refinement; convergence will occur very quickly. NB: if the refinement messes
1716up, you can recover the previous result; do <b style='mso-bidi-font-weight:
1717normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1718minor-latin;mso-hansi-theme-font:minor-latin'>Models/Undo</span></b> to
1719recover. Then add the two <span class=SpellE><b style='mso-bidi-font-weight:
1720normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1721minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1722style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1723mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1724and <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1727normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1728minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the
1729refinement, again convergence is easily obtained. Finally, add the two <span
1730class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1731"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1732minor-latin'>Dist</span></b></span><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'> <span class=SpellE>StdDev</span></span></b>
1735and <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1738normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1739minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> parameters (a
1740total of ten) to the list. The result is a really nice fit to the data with
1741reasonable values; the console window shows the full results of the refinement</p>
1742
1743<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1744 id="Picture_x0020_33" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:609.75pt;
1745 height:206.25pt;visibility:visible;mso-wrap-style:square'>
1746 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png"
1747  o:title=""/>
1748</v:shape><![endif]--><![if !vml]><img width=813 height=275
1749src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
1750
1751<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1752
1753<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1754 id="Picture_x0020_34" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1755 height:450pt;visibility:visible;mso-wrap-style:square'>
1756 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png"
1757  o:title=""/>
1758</v:shape><![endif]--><![if !vml]><img width=700 height=600
1759src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
1760
1761<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1762
1763<p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span
1764style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1765mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these
1766results are plotted as component curves on that plot as well</p>
1767
1768<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1769 id="Picture_x0020_35" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt;
1770 height:450pt;visibility:visible;mso-wrap-style:square'>
1771 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png"
1772  o:title=""/>
1773</v:shape><![endif]--><![if !vml]><img width=700 height=600
1774src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
1775
1776<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1777
1778<p class=MsoNormal>This is the sort of agreement one should expect between the
1779best log normal fit and the size distribution. To save these results you must
1780do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1781mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1782project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1783style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1784mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1785
1786<h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2>
1787
1788<p class=MsoNormal>For the Unified model there is assumed to be particles with
1789some radius of gyration (<span class=SpellE>Guinier</span> model) with a power
1790law distribution tail (<span class=SpellE>Porod</span> model). This can be set
1791for your model by changing the <b style='mso-bidi-font-weight:normal'><span
1792style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1793mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two
1794components to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1795"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1796minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost
1797by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight:
1798normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1799minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span
1800class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1801"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1802minor-latin'>LogNormal</span></b></span>. The data window values give the
1803defaults for these components</p>
1804
1805<p class=MsoNormal><span style='mso-no-proof:yes'><span
1806style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_30"
1807 o:spid="_x0000_i1030" type="#_x0000_t75" style='width:379.5pt;height:546pt;
1808 visibility:visible;mso-wrap-style:square'>
1809 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png"
1810  o:title=""/>
1811</v:shape><![endif]--><![if !vml]><img width=506 height=728
1812src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1813
1814<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1815
1816<p class=MsoNormal>And the plot shows a poor fit</p>
1817
1818<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1819 id="Picture_x0020_36" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
1820 height:450pt;visibility:visible;mso-wrap-style:square'>
1821 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png"
1822  o:title=""/>
1823</v:shape><![endif]--><![if !vml]><img width=700 height=600
1824src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
1825
1826<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1827
1828<p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight:
1829normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1830minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1831style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1832mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1833class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight:
1834normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1835minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1836results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1837"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1838minor-latin'>700</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
1839style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1840mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span
1841class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1842"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1843minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1844style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1845mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span
1846class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1847"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1848minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1849style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1850mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700
1851one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1852mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>.
1853Next, change the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1854style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1855mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1856normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1857minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span
1858class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1859"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1860minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1861style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1862mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b>
1863one to be about the Intensity value for the lower Q bump in the data (~<b
1864style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1865mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>).
1866Finally, reduce the <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1869normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1870minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> value for the <span
1871class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1872"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1873minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1874style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1875mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b>
1876component to get the best fit to the data (~<b style='mso-bidi-font-weight:
1877normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1878minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window
1879looks like</p>
1880
1881<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1882 id="Picture_x0020_37" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:379.5pt;
1883 height:546pt;visibility:visible;mso-wrap-style:square'>
1884 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png"
1885  o:title=""/>
1886</v:shape><![endif]--><![if !vml]><img width=506 height=728
1887src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
1888
1889<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1890
1891<p class=MsoNormal>And the plot looks like</p>
1892
1893<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1894 id="Picture_x0020_38" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
1895 height:450pt;visibility:visible;mso-wrap-style:square'>
1896 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png"
1897  o:title=""/>
1898</v:shape><![endif]--><![if !vml]><img width=700 height=600
1899src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
1900
1901<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1902
1903<p class=MsoNormal>This is probably close enough to do a refinement. Select <b
1904style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1905mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
1906For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1907style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1908mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1909normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1910minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span
1911class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1912"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1913minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1914style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1915mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span
1916class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1917"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1918minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1919style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1920mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span
1921class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1922"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1923minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1924style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1925mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b
1926style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1927mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1928style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1929mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1930and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1931mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background
1932Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight:
1933normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1934minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should
1935rapidly converge to give in the console window</p>
1936
1937<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1938 id="Picture_x0020_39" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:609.75pt;
1939 height:224.25pt;visibility:visible;mso-wrap-style:square'>
1940 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png"
1941  o:title=""/>
1942</v:shape><![endif]--><![if !vml]><img width=813 height=299
1943src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
1944
1945<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1946
1947<p class=MsoNormal>And the closeness of the fit to the data in the plot is</p>
1948
1949<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1950 id="Picture_x0020_40" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
1951 height:450pt;visibility:visible;mso-wrap-style:square'>
1952 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png"
1953  o:title=""/>
1954</v:shape><![endif]--><![if !vml]><img width=700 height=600
1955src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
1956
1957<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1958
1959<p class=MsoNormal>This fit is almost as close as the log normal one done
1960earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1961style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1962mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1963normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1964minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>
1965values are a bit less than the corresponding <span class=SpellE><b
1966style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1967mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1968style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1969mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1970values obtained earlier. Also note that this model makes no reference to the
1971substance contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span
1972style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1973mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not
1974have curves calculated from this model). To save these results you must do <b
1975style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1976mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1977project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1978style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1979mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1980
1981<p class=MsoNormal>This concludes the SASD modeling tutorial.</p>
1982
1983<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1984
1985<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1986
1987</div>
1988
1989</body>
1990
1991</html>
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