source: Tutorials/SAfit/Fitting Small Angle Scattering Data.htm @ 2395

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414  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 1"/>
415  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 1"/>
416  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 1"/>
417  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 1"/>
418  <w:LsdException Locked="false" SemiHidden="true" Name="Revision"/>
419  <w:LsdException Locked="false" Priority="34" QFormat="true"
420   Name="List Paragraph"/>
421  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
422  <w:LsdException Locked="false" Priority="30" QFormat="true"
423   Name="Intense Quote"/>
424  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
425  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
426  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 1"/>
427  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 1"/>
428  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 1"/>
429  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 1"/>
430  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 1"/>
431  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 1"/>
432  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 2"/>
433  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 2"/>
434  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 2"/>
435  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 2"/>
436  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 2"/>
437  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 2"/>
438  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 2"/>
439  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 2"/>
440  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 2"/>
441  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 2"/>
442  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 2"/>
443  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 2"/>
444  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 2"/>
445  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 2"/>
446  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 3"/>
447  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 3"/>
448  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 3"/>
449  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 3"/>
450  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 3"/>
451  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 3"/>
452  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 3"/>
453  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 3"/>
454  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 3"/>
455  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 3"/>
456  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 3"/>
457  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 3"/>
458  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 3"/>
459  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 3"/>
460  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 4"/>
461  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 4"/>
462  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 4"/>
463  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 4"/>
464  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 4"/>
465  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 4"/>
466  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 4"/>
467  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 4"/>
468  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 4"/>
469  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 4"/>
470  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 4"/>
471  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 4"/>
472  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 4"/>
473  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 4"/>
474  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 5"/>
475  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 5"/>
476  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 5"/>
477  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 5"/>
478  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 5"/>
479  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 5"/>
480  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 5"/>
481  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 5"/>
482  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 5"/>
483  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 5"/>
484  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 5"/>
485  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 5"/>
486  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 5"/>
487  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 5"/>
488  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 6"/>
489  <w:LsdException Locked="false" Priority="61" Name="Light List Accent 6"/>
490  <w:LsdException Locked="false" Priority="62" Name="Light Grid Accent 6"/>
491  <w:LsdException Locked="false" Priority="63" Name="Medium Shading 1 Accent 6"/>
492  <w:LsdException Locked="false" Priority="64" Name="Medium Shading 2 Accent 6"/>
493  <w:LsdException Locked="false" Priority="65" Name="Medium List 1 Accent 6"/>
494  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 6"/>
495  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 6"/>
496  <w:LsdException Locked="false" Priority="68" Name="Medium Grid 2 Accent 6"/>
497  <w:LsdException Locked="false" Priority="69" Name="Medium Grid 3 Accent 6"/>
498  <w:LsdException Locked="false" Priority="70" Name="Dark List Accent 6"/>
499  <w:LsdException Locked="false" Priority="71" Name="Colorful Shading Accent 6"/>
500  <w:LsdException Locked="false" Priority="72" Name="Colorful List Accent 6"/>
501  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid Accent 6"/>
502  <w:LsdException Locked="false" Priority="19" QFormat="true"
503   Name="Subtle Emphasis"/>
504  <w:LsdException Locked="false" Priority="21" QFormat="true"
505   Name="Intense Emphasis"/>
506  <w:LsdException Locked="false" Priority="31" QFormat="true"
507   Name="Subtle Reference"/>
508  <w:LsdException Locked="false" Priority="32" QFormat="true"
509   Name="Intense Reference"/>
510  <w:LsdException Locked="false" Priority="33" QFormat="true" Name="Book Title"/>
511  <w:LsdException Locked="false" Priority="37" SemiHidden="true"
512   UnhideWhenUsed="true" Name="Bibliography"/>
513  <w:LsdException Locked="false" Priority="39" SemiHidden="true"
514   UnhideWhenUsed="true" QFormat="true" Name="TOC Heading"/>
515  <w:LsdException Locked="false" Priority="41" Name="Plain Table 1"/>
516  <w:LsdException Locked="false" Priority="42" Name="Plain Table 2"/>
517  <w:LsdException Locked="false" Priority="43" Name="Plain Table 3"/>
518  <w:LsdException Locked="false" Priority="44" Name="Plain Table 4"/>
519  <w:LsdException Locked="false" Priority="45" Name="Plain Table 5"/>
520  <w:LsdException Locked="false" Priority="40" Name="Grid Table Light"/>
521  <w:LsdException Locked="false" Priority="46" Name="Grid Table 1 Light"/>
522  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2"/>
523  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3"/>
524  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4"/>
525  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark"/>
526  <w:LsdException Locked="false" Priority="51" Name="Grid Table 6 Colorful"/>
527  <w:LsdException Locked="false" Priority="52" Name="Grid Table 7 Colorful"/>
528  <w:LsdException Locked="false" Priority="46"
529   Name="Grid Table 1 Light Accent 1"/>
530  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 1"/>
531  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 1"/>
532  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 1"/>
533  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 1"/>
534  <w:LsdException Locked="false" Priority="51"
535   Name="Grid Table 6 Colorful Accent 1"/>
536  <w:LsdException Locked="false" Priority="52"
537   Name="Grid Table 7 Colorful Accent 1"/>
538  <w:LsdException Locked="false" Priority="46"
539   Name="Grid Table 1 Light Accent 2"/>
540  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 2"/>
541  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 2"/>
542  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 2"/>
543  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 2"/>
544  <w:LsdException Locked="false" Priority="51"
545   Name="Grid Table 6 Colorful Accent 2"/>
546  <w:LsdException Locked="false" Priority="52"
547   Name="Grid Table 7 Colorful Accent 2"/>
548  <w:LsdException Locked="false" Priority="46"
549   Name="Grid Table 1 Light Accent 3"/>
550  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 3"/>
551  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 3"/>
552  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 3"/>
553  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 3"/>
554  <w:LsdException Locked="false" Priority="51"
555   Name="Grid Table 6 Colorful Accent 3"/>
556  <w:LsdException Locked="false" Priority="52"
557   Name="Grid Table 7 Colorful Accent 3"/>
558  <w:LsdException Locked="false" Priority="46"
559   Name="Grid Table 1 Light Accent 4"/>
560  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
561  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
562  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
563  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
564  <w:LsdException Locked="false" Priority="51"
565   Name="Grid Table 6 Colorful Accent 4"/>
566  <w:LsdException Locked="false" Priority="52"
567   Name="Grid Table 7 Colorful Accent 4"/>
568  <w:LsdException Locked="false" Priority="46"
569   Name="Grid Table 1 Light Accent 5"/>
570  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 5"/>
571  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 5"/>
572  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 5"/>
573  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 5"/>
574  <w:LsdException Locked="false" Priority="51"
575   Name="Grid Table 6 Colorful Accent 5"/>
576  <w:LsdException Locked="false" Priority="52"
577   Name="Grid Table 7 Colorful Accent 5"/>
578  <w:LsdException Locked="false" Priority="46"
579   Name="Grid Table 1 Light Accent 6"/>
580  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 6"/>
581  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 6"/>
582  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
583  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
584  <w:LsdException Locked="false" Priority="51"
585   Name="Grid Table 6 Colorful Accent 6"/>
586  <w:LsdException Locked="false" Priority="52"
587   Name="Grid Table 7 Colorful Accent 6"/>
588  <w:LsdException Locked="false" Priority="46" Name="List Table 1 Light"/>
589  <w:LsdException Locked="false" Priority="47" Name="List Table 2"/>
590  <w:LsdException Locked="false" Priority="48" Name="List Table 3"/>
591  <w:LsdException Locked="false" Priority="49" Name="List Table 4"/>
592  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
593  <w:LsdException Locked="false" Priority="51" Name="List Table 6 Colorful"/>
594  <w:LsdException Locked="false" Priority="52" Name="List Table 7 Colorful"/>
595  <w:LsdException Locked="false" Priority="46"
596   Name="List Table 1 Light Accent 1"/>
597  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 1"/>
598  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 1"/>
599  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 1"/>
600  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 1"/>
601  <w:LsdException Locked="false" Priority="51"
602   Name="List Table 6 Colorful Accent 1"/>
603  <w:LsdException Locked="false" Priority="52"
604   Name="List Table 7 Colorful Accent 1"/>
605  <w:LsdException Locked="false" Priority="46"
606   Name="List Table 1 Light Accent 2"/>
607  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 2"/>
608  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 2"/>
609  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 2"/>
610  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 2"/>
611  <w:LsdException Locked="false" Priority="51"
612   Name="List Table 6 Colorful Accent 2"/>
613  <w:LsdException Locked="false" Priority="52"
614   Name="List Table 7 Colorful Accent 2"/>
615  <w:LsdException Locked="false" Priority="46"
616   Name="List Table 1 Light Accent 3"/>
617  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 3"/>
618  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 3"/>
619  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 3"/>
620  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 3"/>
621  <w:LsdException Locked="false" Priority="51"
622   Name="List Table 6 Colorful Accent 3"/>
623  <w:LsdException Locked="false" Priority="52"
624   Name="List Table 7 Colorful Accent 3"/>
625  <w:LsdException Locked="false" Priority="46"
626   Name="List Table 1 Light Accent 4"/>
627  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 4"/>
628  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 4"/>
629  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 4"/>
630  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
631  <w:LsdException Locked="false" Priority="51"
632   Name="List Table 6 Colorful Accent 4"/>
633  <w:LsdException Locked="false" Priority="52"
634   Name="List Table 7 Colorful Accent 4"/>
635  <w:LsdException Locked="false" Priority="46"
636   Name="List Table 1 Light Accent 5"/>
637  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 5"/>
638  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 5"/>
639  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 5"/>
640  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 5"/>
641  <w:LsdException Locked="false" Priority="51"
642   Name="List Table 6 Colorful Accent 5"/>
643  <w:LsdException Locked="false" Priority="52"
644   Name="List Table 7 Colorful Accent 5"/>
645  <w:LsdException Locked="false" Priority="46"
646   Name="List Table 1 Light Accent 6"/>
647  <w:LsdException Locked="false" Priority="47" Name="List Table 2 Accent 6"/>
648  <w:LsdException Locked="false" Priority="48" Name="List Table 3 Accent 6"/>
649  <w:LsdException Locked="false" Priority="49" Name="List Table 4 Accent 6"/>
650  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 6"/>
651  <w:LsdException Locked="false" Priority="51"
652   Name="List Table 6 Colorful Accent 6"/>
653  <w:LsdException Locked="false" Priority="52"
654   Name="List Table 7 Colorful Accent 6"/>
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1211
1212<div class=WordSection1>
1213
1214<h1><strong>Fitting</strong><strong><span style='mso-bidi-font-weight:normal'>
1215Small Angle X-Ray Data – Alumina Powder</span><o:p></o:p></strong></h1>
1216
1217<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1218this tutorial you will fit small angle scattering data for an alumina polishing
1219powder using data from a constant wavelength synchrotron X-ray USAXS
1220instrument. You will use both a lognormal distribution of spherical particles
1221model and a unified <span class=SpellE>Guinier-Porod</span> model. The data
1222were collected from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1223minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders
1224spread onto sticky tape and covered with another layer of the same tape. The
1225data were corrected for background using data collected from two layers of
1226sticky tape. However, the sample thickness is not</span> accurately known <span
1227style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;
1228mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not
1229calibrated on an absolute scale.<o:p></o:p></span></p>
1230
1231<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1232
1233<h2>Step 1: read in the data file</h2>
1234
1235<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1236style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1237style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>If
1238you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight:
1239normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1240minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1241tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family:
1242"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1243minor-latin'>File/Open project…</span></b> menu item to retrieve the data;
1244plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b
1245style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1246mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span
1247style='mso-element:field-begin'></span><span
1248style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span
1249style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1250style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1251mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 2: Set
1252Limits<!--[if gte mso 9]><xml>
1253 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data>
1254</xml><![endif]--></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1255normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1256minor-latin;mso-hansi-theme-font:minor-latin'><span style='mso-element:field-end'></span></span></b><![endif]-->.
1257Otherwise, use the <b style='mso-bidi-font-weight:normal'><span
1258style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1259mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1260minor-latin'>Import/Small Angle Data/from q (A-1) step X-ray QIE data file</span></b>
1261menu item to read the data file into GSAS-II. This read option is set to read
1262three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>,
1263intensity and estimated standard deviation in intensity; there may be a header
1264with metadata information in the front of this file.<span
1265style='mso-spacerun:yes'>  </span>Change the file directory to <span
1266class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1267"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1268minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:minor-latin'>SAsize</span></b></span><b
1269style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1270mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1271Calibri;mso-bidi-theme-font:minor-latin'>/data</span></b><span
1272style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1273mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1274minor-latin'> to find the file</span>; you will have to select the <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'>any file
1277(*.*)</span></b> filter to see it.</p>
1278
1279<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1280style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1281style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1282the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1283mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1284Calibri;mso-bidi-theme-font:minor-latin'>alumina data.dat</span></b><span
1285style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1286mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1287minor-latin'> data</span> file in the first dialog and press <b
1288style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1289mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1290Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a
1291Dialog box asking <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'>Is this the file you want?</span></b> Press <b style='mso-bidi-font-weight:
1295normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1296minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1297mso-bidi-theme-font:minor-latin'>Yes</span></b> button to proceed.</p>
1298
1299<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1300style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1301mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1302minor-latin'>GSAS-II data tree</span></b> window will have several entries and
1303the plot window will show the SASD pattern as a log-log plot of intensity vs. Q</p>
1304
1305<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1306 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1307 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1308 <v:stroke joinstyle="miter"/>
1309 <v:formulas>
1310  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1311  <v:f eqn="sum @0 1 0"/>
1312  <v:f eqn="sum 0 0 @1"/>
1313  <v:f eqn="prod @2 1 2"/>
1314  <v:f eqn="prod @3 21600 pixelWidth"/>
1315  <v:f eqn="prod @3 21600 pixelHeight"/>
1316  <v:f eqn="sum @0 0 1"/>
1317  <v:f eqn="prod @6 1 2"/>
1318  <v:f eqn="prod @7 21600 pixelWidth"/>
1319  <v:f eqn="sum @8 21600 0"/>
1320  <v:f eqn="prod @7 21600 pixelHeight"/>
1321  <v:f eqn="sum @10 21600 0"/>
1322 </v:formulas>
1323 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1324 <o:lock v:ext="edit" aspectratio="t"/>
1325</v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75"
1326 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1327 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png"
1328  o:title=""/>
1329</v:shape><![endif]--><![if !vml]><img width=700 height=600
1330src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p>
1331
1332<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1333
1334<p class=MsoNormal>For this step we will reposition the limits to exclude only
1335the last point in the pattern as it does appear to be somewhat suspect (see
1336plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1337"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1338minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span
1339style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1340mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the
1341GSAS-II tree. Set the upper limit using the cursor on the plot by picking the
1342next-to-last point on the curve with the left or right mouse button. The limits
1343window should look like</p>
1344
1345<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1346 id="Picture_x0020_24" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:225pt;
1347 height:195pt;visibility:visible;mso-wrap-style:square'>
1348 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png"
1349  o:title=""/>
1350</v:shape><![endif]--><![if !vml]><img width=300 height=260
1351src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png" v:shapes="Picture_x0020_24"><![endif]></span><span
1352style='mso-spacerun:yes'> </span></p>
1353
1354<h2>Step 3 Select the scattering substances for your sample</h2>
1355
1356<p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this
1357step in the </span><b style='mso-bidi-font-weight:normal'><span
1358style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1359mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size Distribution</span></b><span
1360style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b
1361style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1362mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1363yes'><span style='mso-element:field-begin'></span><span
1364style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span
1365style='mso-spacerun:yes'>  </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b
1366style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1367mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4
1368Creation and Refinement of Log Normal Particle Model<span style='mso-no-proof:
1369yes'><!--[if gte mso 9]><xml>
1370 <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data>
1371</xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight:
1372normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1373minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span
1374style='mso-element:field-end'></span></span></b><![endif]--><span
1375style='mso-no-proof:yes'>. Two substances need to be defined for your sample to
1376give the anticipated scattering contrast; in this case one is alumina and the
1377other is “vacuum” (really air). Parameters for a number of substances are
1378defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1379style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1380mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1381style='mso-no-proof:yes'>. You can add your own substances to this or better
1382put them in </span><b style='mso-bidi-font-weight:normal'><span
1383style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1384mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1385style='mso-no-proof:yes'>; this is read after Substances.py when you load
1386substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1387normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1388minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> under <b
1389style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1390mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina
1391data.dat</span></b> from the GSAS-II tree. Then do <b style='mso-bidi-font-weight:
1392normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1393minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance
1394from the menu; a popup window will appear with possible selections</p>
1395
1396<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1397 id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt;
1398 height:252pt;visibility:visible;mso-wrap-style:square'>
1399 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png"
1400  o:title=""/>
1401</v:shape><![endif]--><![if !vml]><img width=346 height=336
1402src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1403
1404<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1405
1406<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1407style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1408mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <b
1409style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1410mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1411the relevant data for alumina (and vacuum) are displayed next</p>
1412
1413<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1414 id="Picture_x0020_4" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:259.5pt;
1415 height:195pt;visibility:visible;mso-wrap-style:square'>
1416 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png"
1417  o:title=""/>
1418</v:shape><![endif]--><![if !vml]><img width=346 height=260
1419src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span><span
1420style='mso-spacerun:yes'> </span></p>
1421
1422<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1423
1424<p class=MsoNormal>If desired you can load/add as many substances as you desire
1425into this list; you can also delete any of them (except vacuum). The
1426composition, volume occupied by the atoms in the composition and the density
1427are given for each substance. These can each be edited; the other values will
1428change accordingly. If your substance isn’t in the list, you can <b
1429style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1430mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
1431substance</span></b> to create a new one (you will be asked for a name and the
1432set of elements in two successive popup windows). From this information the
1433scattering density and that as affected by resonant scattering for the listed
1434wavelength is displayed (the wavelength can be changed in the <b
1435style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1436mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument
1437Parameters</span></b> GSAS-II tree item if needed). The resonant scattering
1438value is used for contrast calculations.</p>
1439
1440<h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark:
1441_Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation
1442and Refinement of Log Normal Particle Model</span></h2>
1443
1444<p class=MsoNormal>You are now ready to attempt fitting the data with a log
1445normal distribution of spherical particles. Thus you’ll need to select <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'>Models</span></b>
1448under <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'>SASD alumina
1450data.dat</span></b> from the GSAS-II tree; the data window will display the <b
1451style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1452mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b>
1453display;<span style='mso-no-proof:yes'> </span>change this to <b
1454style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1455mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>
1456using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1457mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b>
1458pull down. NB: GSAS-II will remember your selection the next time you enter
1459this <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1460mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b>
1461data tree item.</p>
1462
1463<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1464 id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:379.5pt;
1465 height:142.5pt;visibility:visible;mso-wrap-style:square'>
1466 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png"
1467  o:title=""/>
1468</v:shape><![endif]--><![if !vml]><img width=506 height=190
1469src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" v:shapes="Picture_x0020_16"><![endif]></span></p>
1470
1471<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1472
1473<p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span
1474style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1475mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you
1476would know that there were two populations of particles in the sample. One had
1477a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will
1478also need something to describe the very lowest Q portion of the data. Do <b
1479style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1480mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1481from the menu; the data window will change and the plots will be refreshed.
1482Your first step is to change the <b style='mso-bidi-font-weight:normal'><span
1483style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1484mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1485normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1486minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure
1487the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1488mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1489is something reasonable (<b style='mso-bidi-font-weight:normal'><span
1490style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1491mso-hansi-theme-font:minor-latin'>0.11</span></b>) based on the data at highest
1492Q; again the data window and plots will be refreshed. Click on one of the
1493slider buttons to force a calculation.</p>
1494
1495<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1496 id="Picture_x0020_25" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:379.5pt;
1497 height:315pt;visibility:visible;mso-wrap-style:square'>
1498 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png"
1499  o:title=""/>
1500</v:shape><![endif]--><![if !vml]><img width=506 height=420
1501src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_25"><![endif]></span></p>
1502
1503<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1504
1505<p class=MsoNormal>The data plot shows a horizontal red line for the background
1506and a green one calculated from your selected model. </p>
1507
1508<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1509 id="Picture_x0020_26" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;
1510 height:450pt;visibility:visible;mso-wrap-style:square'>
1511 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png"
1512  o:title=""/>
1513</v:shape><![endif]--><![if !vml]><img width=700 height=600
1514src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_26"><![endif]></span></p>
1515
1516<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1517
1518<p class=MsoNormal>You can manually adjust the calculated curve by using the
1519sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1520style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1521mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1522normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1523minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span
1524class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1525"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1526minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1527style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1528mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span
1529class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1530"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1531minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1532style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1533mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is
1534roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1535"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1536minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of
1537magnitude; their range is reset if a value is entered in the value field. After
1538changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1539style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1540mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1541normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1542minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b
1543style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1544mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b>
1545and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1546style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1547mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1548normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1549minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> to <b
1550style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1551mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b>
1552my plot is</p>
1553
1554<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1555 id="Picture_x0020_27" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1556 height:450pt;visibility:visible;mso-wrap-style:square'>
1557 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png"
1558  o:title=""/>
1559</v:shape><![endif]--><![if !vml]><img width=700 height=600
1560src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="Picture_x0020_27"><![endif]></span></p>
1561
1562<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1563
1564<p class=MsoNormal>There is an obvious discrepancy at low Q and a much less
1565obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å
1566peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family:
1567"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1568minor-latin'>Size Distribution</span></b> result. Do another <b
1569style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1570mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b>
1571to include it. The data window now shows two components</p>
1572
1573<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1574 id="Picture_x0020_28" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:379.5pt;
1575 height:487.5pt;visibility:visible;mso-wrap-style:square'>
1576 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png"
1577  o:title=""/>
1578</v:shape><![endif]--><![if !vml]><img width=506 height=650
1579src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_28"><![endif]></span></p>
1580
1581<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1582
1583<p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span
1584style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1585mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset
1586to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1587mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b>
1588to save you the easily forgotten step of setting it. Change <span class=SpellE><b
1589style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1590mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1591style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1592mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1593to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1594mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b>
1595(i.e. œ of 150) and reduce <span class=SpellE><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'>Dist</span></b></span><b
1598style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1599mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1600to make the green curve better match the data (you can inset ‘<b
1601style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1602mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0</span></b>’s
1603in the value &amp; play with the slider – something like <b style='mso-bidi-font-weight:
1604normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1605minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My
1606fit looked like</p>
1607
1608<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1609 id="Picture_x0020_29" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt;
1610 height:450pt;visibility:visible;mso-wrap-style:square'>
1611 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png"
1612  o:title=""/>
1613</v:shape><![endif]--><![if !vml]><img width=700 height=600
1614src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_29"><![endif]></span></p>
1615
1616<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1617
1618<p class=MsoNormal>Finally we need to deal with the low Q region – this is
1619probably due to some agglomeration of the 1300Å articles which is best
1620described by a pure <span class=SpellE>Porod</span> power law scattering model.
1621Do another <b style='mso-bidi-font-weight:normal'><span style='font-family:
1622"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1623minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight:
1624normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1625minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection
1626to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1627style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1628mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component
1629is then (I’ve shrunk the window &amp; moved the scroll bar).</p>
1630
1631<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1632 id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:379.5pt;
1633 height:270.75pt;visibility:visible;mso-wrap-style:square'>
1634 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png"
1635  o:title=""/>
1636</v:shape><![endif]--><![if !vml]><img width=506 height=361
1637src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p>
1638
1639<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1640
1641<p class=MsoNormal>The green curve on the plot looks very poor</p>
1642
1643<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1644 id="Picture_x0020_12" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt;
1645 height:450pt;visibility:visible;mso-wrap-style:square'>
1646 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png"
1647  o:title=""/>
1648</v:shape><![endif]--><![if !vml]><img width=700 height=600
1649src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="Picture_x0020_12"><![endif]></span></p>
1650
1651<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1652
1653<p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span>
1654component variables. Remembering that this is likely to be an agglomeration of
16551300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight:
1656normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1657minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1658style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1659mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b>
1660to that value. That immediately restores the higher Q portion of the fit.</p>
1661
1662<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1663 id="Picture_x0020_31" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;
1664 height:450pt;visibility:visible;mso-wrap-style:square'>
1665 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png"
1666  o:title=""/>
1667</v:shape><![endif]--><![if !vml]><img width=700 height=600
1668src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_31"><![endif]></span></p>
1669
1670<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1671
1672<p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight:
1673normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1674minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1675style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1676mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1677(power law exponent) slider to adjust the fit. In this case setting <span
1678class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1679"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1680minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1681style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1682mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight:
1683normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1684minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty
1685good fit without needing to adjust the <span class=SpellE><b style='mso-bidi-font-weight:
1686normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1687minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1688style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1689mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b>
1690<span class=SpellE>prefactor</span>.</p>
1691
1692<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1693 id="Picture_x0020_32" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt;
1694 height:450pt;visibility:visible;mso-wrap-style:square'>
1695 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png"
1696  o:title=""/>
1697</v:shape><![endif]--><![if !vml]><img width=700 height=600
1698src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_32"><![endif]></span></p>
1699
1700<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1701
1702<p class=MsoNormal>Finally, you can refine these coefficients to find the best
1703fit to the data. As a beginner, I’d start by refining just the two <span
1704class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1705"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1706minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1707style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1708mso-hansi-theme-font:minor-latin'> Volume</span></b> and the <span
1709class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1710"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1711minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1712style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1713mso-hansi-theme-font:minor-latin'> B</span></b> along with the <b
1714style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1715mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
1716parameters (one might be able to refine “everything” at once, but then again it
1717might not work). Check the <b style='mso-bidi-font-weight:normal'><span
1718style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1719mso-hansi-theme-font:minor-latin'>Refine?</span></b> boxes for these
1720parameters. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:
1721"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1722minor-latin'>Models/Fit </span></b>to do the least squares refinement;
1723convergence will occur very quickly. NB: if the refinement messes up, you can
1724recover the previous result; do <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'>Models/Undo</span></b> to recover. Then add
1727the two <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1728style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1729mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1730normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1731minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> and <span
1732class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1733"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1734minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1735style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1736mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the refinement,
1737again convergence is easily obtained. Finally, add the two <span class=SpellE><b
1738style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1739mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1740style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1741mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1742class=SpellE>StdDev</span></span></b> and <span class=SpellE><b
1743style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1744mso-ascii-theme-font:minor-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'> Cutoff</span></b>
1747parameters (a total of ten) to the list. The result is a really nice fit to the
1748data with reasonable values; the console window shows the full results of the
1749refinement</p>
1750
1751<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1752 id="Picture_x0020_33" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:609.75pt;
1753 height:206.25pt;visibility:visible;mso-wrap-style:square'>
1754 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png"
1755  o:title=""/>
1756</v:shape><![endif]--><![if !vml]><img width=813 height=275
1757src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_33"><![endif]></span></p>
1758
1759<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1760
1761<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1762 id="Picture_x0020_34" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1763 height:450pt;visibility:visible;mso-wrap-style:square'>
1764 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png"
1765  o:title=""/>
1766</v:shape><![endif]--><![if !vml]><img width=700 height=600
1767src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_34"><![endif]></span></p>
1768
1769<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1770
1771<p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span
1772style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1773mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these
1774results are plotted as component curves on that plot as well</p>
1775
1776<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1777 id="Picture_x0020_35" o:spid="_x0000_i1031" 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/image017.png"
1780  o:title=""/>
1781</v:shape><![endif]--><![if !vml]><img width=700 height=600
1782src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" v:shapes="Picture_x0020_35"><![endif]></span></p>
1783
1784<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1785
1786<p class=MsoNormal>This is the sort of agreement one should expect between the
1787best log normal fit and the size distribution. To save these results you must
1788do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1789mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1790project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1791style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1792mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1793
1794<h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2>
1795
1796<p class=MsoNormal>For the Unified model there is assumed to be particles with
1797some radius of gyration (<span class=SpellE>Guinier</span> model) with a power
1798law distribution tail (<span class=SpellE>Porod</span> model). This can be set
1799for your model by changing the <b style='mso-bidi-font-weight:normal'><span
1800style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1801mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two
1802components to <b style='mso-bidi-font-weight:normal'><span style='font-family:
1803"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1804minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost
1805by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight:
1806normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1807minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span
1808class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1809"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1810minor-latin'>LogNormal</span></b></span>. The data window values give the
1811defaults for these components</p>
1812
1813<p class=MsoNormal><span style='mso-no-proof:yes'><span
1814style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_30"
1815 o:spid="_x0000_i1030" type="#_x0000_t75" style='width:379.5pt;height:546pt;
1816 visibility:visible;mso-wrap-style:square'>
1817 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png"
1818  o:title=""/>
1819</v:shape><![endif]--><![if !vml]><img width=506 height=728
1820src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p>
1821
1822<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1823
1824<p class=MsoNormal>And the plot shows a poor fit</p>
1825
1826<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1827 id="Picture_x0020_36" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt;
1828 height:450pt;visibility:visible;mso-wrap-style:square'>
1829 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png"
1830  o:title=""/>
1831</v:shape><![endif]--><![if !vml]><img width=700 height=600
1832src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" v:shapes="Picture_x0020_36"><![endif]></span></p>
1833
1834<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1835
1836<p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight:
1837normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1838minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1839style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1840mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1841class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight:
1842normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1843minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b>
1844results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:
1845"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1846minor-latin'>700</span></b> &amp; <b style='mso-bidi-font-weight:normal'><span
1847style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1848mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span
1849class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1850"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1851minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1852style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1853mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span
1854class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1855"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1856minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1857style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1858mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700
1859one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1860mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>.
1861Next, change the <span class=SpellE><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'>Dist</span></b></span><b style='mso-bidi-font-weight:
1864normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1865minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span
1866class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1867"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1868minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1869style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1870mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b>
1871one to be about the Intensity value for the lower Q bump in the data (~<b
1872style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1873mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>).
1874Finally, reduce the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1875style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1876mso-hansi-theme-font:minor-latin'>Dist</span></b></span><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'> G</span></b> value for the <span
1879class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1880"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1881minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1882style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1883mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b>
1884component to get the best fit to the data (~<b style='mso-bidi-font-weight:
1885normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1886minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window
1887looks like</p>
1888
1889<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1890 id="Picture_x0020_37" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:379.5pt;
1891 height:546pt;visibility:visible;mso-wrap-style:square'>
1892 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png"
1893  o:title=""/>
1894</v:shape><![endif]--><![if !vml]><img width=506 height=728
1895src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" v:shapes="Picture_x0020_37"><![endif]></span></p>
1896
1897<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1898
1899<p class=MsoNormal>And the plot looks like</p>
1900
1901<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1902 id="Picture_x0020_38" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt;
1903 height:450pt;visibility:visible;mso-wrap-style:square'>
1904 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png"
1905  o:title=""/>
1906</v:shape><![endif]--><![if !vml]><img width=700 height=600
1907src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" v:shapes="Picture_x0020_38"><![endif]></span></p>
1908
1909<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1910
1911<p class=MsoNormal>This is probably close enough to do a refinement. Select <b
1912style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1913mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b>
1914For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1915style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1916mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1917normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1918minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span
1919class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1920"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1921minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1922style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1923mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span
1924class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1925"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1926minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1927style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1928mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span
1929class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1930"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1931minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span
1932style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1933mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b
1934style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1935mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1936style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1937mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b>
1938and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1939mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background
1940Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight:
1941normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1942minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should
1943rapidly converge to give in the console window</p>
1944
1945<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1946 id="Picture_x0020_39" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:609.75pt;
1947 height:224.25pt;visibility:visible;mso-wrap-style:square'>
1948 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png"
1949  o:title=""/>
1950</v:shape><![endif]--><![if !vml]><img width=813 height=299
1951src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" v:shapes="Picture_x0020_39"><![endif]></span></p>
1952
1953<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1954
1955<p class=MsoNormal>And the closeness of the fit to the data in the plot is</p>
1956
1957<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1958 id="Picture_x0020_40" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
1959 height:450pt;visibility:visible;mso-wrap-style:square'>
1960 <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png"
1961  o:title=""/>
1962</v:shape><![endif]--><![if !vml]><img width=700 height=600
1963src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" v:shapes="Picture_x0020_40"><![endif]></span></p>
1964
1965<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1966
1967<p class=MsoNormal>This fit is almost as close as the log normal one done
1968earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
1969style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1970mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:
1971normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1972minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>
1973values are a bit less than the corresponding <span class=SpellE><b
1974style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1975mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1976style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1977mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1978values obtained earlier. Also note that this model makes no reference to the
1979substance contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span
1980style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1981mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not
1982have curves calculated from this model). To save these results you must do <b
1983style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1984mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
1985project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span
1986style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1987mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p>
1988
1989<p class=MsoNormal>This concludes the SASD modeling tutorial.</p>
1990
1991<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1992
1993<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1994
1995</div>
1996
1997</body>
1998
1999</html>
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