source: Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data.htm @ 2390

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413  <w:LsdException Locked="false" Priority="60" Name="Light Shading Accent 1"/>
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"/>
420  <w:LsdException Locked="false" Priority="34" QFormat="true"
421   Name="List Paragraph"/>
422  <w:LsdException Locked="false" Priority="29" QFormat="true" Name="Quote"/>
423  <w:LsdException Locked="false" Priority="30" QFormat="true"
424   Name="Intense Quote"/>
425  <w:LsdException Locked="false" Priority="66" Name="Medium List 2 Accent 1"/>
426  <w:LsdException Locked="false" Priority="67" Name="Medium Grid 1 Accent 1"/>
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"/>
557  <w:LsdException Locked="false" Priority="52"
558   Name="Grid Table 7 Colorful Accent 3"/>
559  <w:LsdException Locked="false" Priority="46"
560   Name="Grid Table 1 Light Accent 4"/>
561  <w:LsdException Locked="false" Priority="47" Name="Grid Table 2 Accent 4"/>
562  <w:LsdException Locked="false" Priority="48" Name="Grid Table 3 Accent 4"/>
563  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 4"/>
564  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 4"/>
565  <w:LsdException Locked="false" Priority="51"
566   Name="Grid Table 6 Colorful Accent 4"/>
567  <w:LsdException Locked="false" Priority="52"
568   Name="Grid Table 7 Colorful Accent 4"/>
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"/>
583  <w:LsdException Locked="false" Priority="49" Name="Grid Table 4 Accent 6"/>
584  <w:LsdException Locked="false" Priority="50" Name="Grid Table 5 Dark Accent 6"/>
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"/>
593  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark"/>
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"
597   Name="List Table 1 Light Accent 1"/>
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"/>
631  <w:LsdException Locked="false" Priority="50" Name="List Table 5 Dark Accent 4"/>
632  <w:LsdException Locked="false" Priority="51"
633   Name="List Table 6 Colorful Accent 4"/>
634  <w:LsdException Locked="false" Priority="52"
635   Name="List Table 7 Colorful Accent 4"/>
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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1199<![endif]--><!--[if gte mso 9]><xml>
1200 <o:shapedefaults v:ext="edit" spidmax="1026"/>
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1205</head>
1206
1207<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1208
1209<div class=WordSection1>
1210
1211<h1><strong><span style='mso-bidi-font-weight:normal'>Sequential Refinement of
1212Small Angle Scattering Data</span><o:p></o:p></strong></h1>
1213
1214<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1215this tutorial you will fit USAXS small angle scattering data for “<span
1216class=SpellE>Ludox</span>” colloidal silica (Aldrich, LUDOX TM-50?) prepared in
1217a range of dilutions to demonstrate the sequential refinement technique in
1218GSAS-II for SASD and demonstrate fitting with a hard sphere structure factor
1219for non-dilute systems.<span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1220minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'><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 files</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]>Use
1229the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1230mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1231Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from q (A-1)
1232step X-ray QIE data file</span></b> menu item to read the data files into
1233GSAS-II. This read option is set to read three column small angle scattering
1234data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated standard deviation
1235in intensity; there may be a header with metadata information in the front of
1236this file.<span style='mso-spacerun:yes'>  </span>It will read multiple files
1237from a single directory. Change the file directory to <span class=SpellE><b
1238style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1239mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1240Calibri;mso-bidi-theme-font:minor-latin'>SAseqref</span></b></span><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;mso-bidi-font-family:
1243Calibri;mso-bidi-theme-font:minor-latin'>/data</span></b><span
1244style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1245mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1246minor-latin'> to find the files.</span></p>
1247
1248<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1249style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1250style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1251the six<span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1252mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1253minor-latin'> data</span> files with ‘<span class=SpellE><b style='mso-bidi-font-weight:
1254normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1255minor-latin;mso-hansi-theme-font:minor-latin'>Ludox</span></b></span>’ in their
1256name in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1257style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1258mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1259minor-latin'>Open</span></b>. All six will immediately be read into GSAS-II;
1260you will have to select the <b style='mso-bidi-font-weight:normal'><span
1261style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1262mso-hansi-theme-font:minor-latin'>any file (*.*)</span></b> filter to see them.</p>
1263
1264<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
1265
1266<p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span
1267style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1268mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1269minor-latin'>GSAS-II data tree</span></b> window will have several entries and
1270the plot window will show the SASD pattern for one as a log-log plot of
1271intensity vs. Q; enter ‘<b style='mso-bidi-font-weight:normal'><span
1272style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1273mso-hansi-theme-font:minor-latin'>m</span></b>’ on the plot. Now all are shown;
1274one shows error bars (<b style='mso-bidi-font-weight:normal'><span
1275style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1276mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) as it is
1277the selected tree entry and the others as lines.</p>
1278
1279<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1280 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1281 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1282 <v:stroke joinstyle="miter"/>
1283 <v:formulas>
1284  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1285  <v:f eqn="sum @0 1 0"/>
1286  <v:f eqn="sum 0 0 @1"/>
1287  <v:f eqn="prod @2 1 2"/>
1288  <v:f eqn="prod @3 21600 pixelWidth"/>
1289  <v:f eqn="prod @3 21600 pixelHeight"/>
1290  <v:f eqn="sum @0 0 1"/>
1291  <v:f eqn="prod @6 1 2"/>
1292  <v:f eqn="prod @7 21600 pixelWidth"/>
1293  <v:f eqn="sum @8 21600 0"/>
1294  <v:f eqn="prod @7 21600 pixelHeight"/>
1295  <v:f eqn="sum @10 21600 0"/>
1296 </v:formulas>
1297 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1298 <o:lock v:ext="edit" aspectratio="t"/>
1299</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1056" type="#_x0000_t75"
1300 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1301 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
1302  o:title=""/>
1303</v:shape><![endif]--><![if !vml]><img width=700 height=600
1304src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
1305v:shapes="Picture_x0020_1"><![endif]></span></p>
1306
1307<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1308
1309<p class=MsoNormal>For this step we will reposition the limits to exclude the
1310low-Q (&lt;10<sup>-3</sup>) part of the patterns which do not seem to follow
1311the sequence evident in the 10<sup>-2</sup> – 10<sup>-1</sup> part. Select <b
1312style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1313mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Limits</span></b>
1314under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1315mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD
1316S35_Ludox_40pct.dat</span></b> from the GSAS-II tree. Set the lower limit using
1317the cursor on the plot by picking a point somewhere in the flat region at
1318Q~3x10<sup>-3</sup> with the left mouse button. The limits window should look
1319something like</p>
1320
1321<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1322 id="_x0000_i1055" type="#_x0000_t75" style='width:225pt;height:195pt;
1323 visibility:visible;mso-wrap-style:square'>
1324 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
1325  o:title=""/>
1326</v:shape><![endif]--><![if !vml]><img width=300 height=260
1327src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
1328v:shapes="_x0000_i1055"><![endif]></span><span
1329style='mso-spacerun:yes'> </span></p>
1330
1331<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1332
1333<p class=MsoNormal>To copy these limits to the other data sets use the <b
1334style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1335mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy</span></b>
1336command from the data window menu; a popup window will give the selection of
1337targets.<br>
1338<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27"
1339 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:240pt;height:232.5pt;
1340 visibility:visible;mso-wrap-style:square'>
1341 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1342  o:title=""/>
1343</v:shape><![endif]--><![if !vml]><img width=320 height=310
1344src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1345v:shapes="Picture_x0020_27"><![endif]></span></p>
1346
1347<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1348
1349<p class=MsoNormal>Do <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'>Set All</span></b> (all boxes will be
1352checked) and then press <b style='mso-bidi-font-weight:normal'><span
1353style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1354mso-hansi-theme-font:minor-latin'>Enter</span></b> to do the copy.</p>
1355
1356<h2>Step 3 Select the scattering substances for your sample</h2>
1357
1358<p class=MsoNormal><span style='mso-no-proof:yes'>Two substances need to be
1359defined for your sample to give the anticipated scattering contrast; in this
1360case one is silica and the other is water. Parameters for a number of
1361substances are defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1362style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1363mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1364style='mso-no-proof:yes'>. You can add your own substances to this or better
1365put them in </span><b style='mso-bidi-font-weight:normal'><span
1366style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1367mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1368style='mso-no-proof:yes'>; this is read after Substances.py when you load
1369substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1370normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1371minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the
1372GSAS-II tree. Then do <b style='mso-bidi-font-weight:normal'><span
1373style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1374mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance from the menu;
1375a popup window will appear with possible selections</p>
1376
1377<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1378 id="Picture_x0020_3" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:259.5pt;
1379 height:252pt;visibility:visible;mso-wrap-style:square'>
1380 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1381  o:title=""/>
1382</v:shape><![endif]--><![if !vml]><img width=346 height=336
1383src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1384v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1385
1386<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1387
1388<p class=MsoNormal>Notice that silica is not one of the choices; we will add it
1389in a moment. Select <b style='mso-bidi-font-weight:normal'><span
1390style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1391mso-hansi-theme-font:minor-latin'>Water</span></b> and press <b
1392style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1393mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1394the relevant data for water (and vacuum) are displayed next</p>
1395
1396<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1397 id="Picture_x0020_28" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:259.5pt;
1398 height:195pt;visibility:visible;mso-wrap-style:square'>
1399 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1400  o:title=""/>
1401</v:shape><![endif]--><![if !vml]><img width=346 height=260
1402src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1403v:shapes="Picture_x0020_28"><![endif]></span><span
1404style='mso-spacerun:yes'> </span></p>
1405
1406<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1407
1408<p class=MsoNormal>If desired, you can load/add as many substances as you want
1409to this list; you can also delete any of them (except vacuum). The composition,
1410volume occupied by the atoms in the composition and the density are given for
1411each substance. These can each be edited; the other values will change
1412accordingly. Since silica wasn’t in the list of known substances, do <b
1413style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1414mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
1415substance</span></b> to create it; you will be asked for a name – enter <b
1416style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1417mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>
1418and then a periodic table of the elements will be shown. Select <b
1419style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1420mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Si</span></b>
1421and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1422mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p>
1423
1424<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1425 id="_x0000_i1051" type="#_x0000_t75" style='width:435pt;height:270pt;
1426 visibility:visible;mso-wrap-style:square'>
1427 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1428  o:title=""/>
1429</v:shape><![endif]--><![if !vml]><img width=580 height=360
1430src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1431v:shapes="_x0000_i1051"><![endif]></span><span
1432style='mso-spacerun:yes'> </span></p>
1433
1434<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1435
1436<p class=MsoNormal>They appear in red. Press <b style='mso-bidi-font-weight:
1437normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1438minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> and silica will be
1439added to your substance list</p>
1440
1441<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1442 id="Picture_x0020_30" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:259.5pt;
1443 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1444 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1445  o:title=""/>
1446</v:shape><![endif]--><![if !vml]><img width=346 height=377
1447src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1448v:shapes="Picture_x0020_30"><![endif]></span></p>
1449
1450<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1451
1452<p class=MsoNormal>Change the O-atom entry to <b style='mso-bidi-font-weight:
1453normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1454minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b> and the density to
1455<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1456mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.65</span></b>;
1457the window will change each time giving new values and should finally show</p>
1458
1459<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1460 id="Picture_x0020_8" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:259.5pt;
1461 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1462 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1463  o:title=""/>
1464</v:shape><![endif]--><![if !vml]><img width=346 height=377
1465src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1466v:shapes="Picture_x0020_8"><![endif]></span><span
1467style='mso-spacerun:yes'> </span></p>
1468
1469<p class=MsoNormal>From this information the scattering density and that as
1470affected by resonant scattering for the listed wavelength is displayed (the
1471wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span
1472style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1473mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree
1474item if needed). The resonant scattering value is used for contrast
1475calculations.</p>
1476
1477<p class=MsoNormal>Just as for Limits, this information needs to be copied to
1478the other SASD entries in the GSAS-II tree. Do <b style='mso-bidi-font-weight:
1479normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1480minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy substances</span></b>
1481from the data window menu and follow the same selection procedure as you used
1482for limits above.</p>
1483
1484<h2><a name="_Ref386699210">Step 4: Set Sample parameters</a> </h2>
1485
1486<p class=MsoNormal><span style='mso-no-proof:yes'>As these data sets were
1487collected from a sequence of samples where there was some variable changed in
1488their preparation, it would be useful to have this information available to
1489GSAS-II for subsequent analysis. Select Sample parameters from the data tree.
1490It shows (for </span><b style='mso-bidi-font-weight:normal'><span
1491style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1492mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat)<o:p></o:p></span></b></p>
1493
1494<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1495 id="Picture_x0020_9" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:291.75pt;
1496 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1497 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1498  o:title=""/>
1499</v:shape><![endif]--><![if !vml]><img width=389 height=518
1500src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1501v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p>
1502
1503<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1504
1505<p class=MsoNormal><span style='mso-no-proof:yes'>NB: we will not be needing to
1506select the </span><b style='mso-bidi-font-weight:normal'><span
1507style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1508mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Material</span></b><span
1509style='mso-no-proof:yes'> for this analysis; material selection is only
1510required for </span><b style='mso-bidi-font-weight:normal'><span
1511style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1512mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size distribution</span></b><span
1513style='mso-no-proof:yes'> analysis. Notice that the last three column names can
1514be changed; pick the first one and change it to </span><b style='mso-bidi-font-weight:
1515normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1516minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>fraction</span></b><span
1517style='mso-no-proof:yes'>. Then enter </span><b style='mso-bidi-font-weight:
1518normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1519minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>0.01</span></b><span
1520style='mso-no-proof:yes'> which corresponds to the ‘</span><b style='mso-bidi-font-weight:
1521normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1522minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1pct</span></b><span
1523style='mso-no-proof:yes'>’ in the file name. The data window should look like<o:p></o:p></span></p>
1524
1525<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1526 id="Picture_x0020_10" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:291.75pt;
1527 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1528 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1529  o:title=""/>
1530</v:shape><![endif]--><![if !vml]><img width=389 height=518
1531src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1532v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p>
1533
1534<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1535
1536<p class=MsoNormal><span style='mso-no-proof:yes'>Now do the same for the </span><b
1537style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1538mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1539yes'>Sample Parameters</span></b><span style='mso-no-proof:yes'> for the other
1540data sets putting in the correct fraction from the respective file names. If
1541you first </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1542"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1543minor-latin;mso-no-proof:yes'>Copy</span></b><span style='mso-no-proof:yes'>
1544this one to the others, that will save you the step of changing the names. You
1545will end up on the </span><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;mso-no-proof:yes'>Sample parameters</span></b><span
1548style='mso-no-proof:yes'> page for </span><b style='mso-bidi-font-weight:normal'><span
1549style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1550mso-hansi-theme-font:minor-latin'>SASD S53_Ludox6_40pct.dat </span></b>GSAS-II
1551data tree.</p>
1552
1553<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1554 id="Picture_x0020_11" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:291.75pt;
1555 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1556 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1557  o:title=""/>
1558</v:shape><![endif]--><![if !vml]><img width=389 height=518
1559src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1560v:shapes="Picture_x0020_11"><![endif]></span><span
1561style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><o:p></o:p></span></p>
1562
1563<h2>Step 5: Set Model parameters </h2>
1564
1565<p class=MsoNormal>Looking at the data plot (key ‘<b style='mso-bidi-font-weight:
1566normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1567minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b>’ to select a single
1568data set) for <b style='mso-bidi-font-weight:normal'><span style='font-family:
1569"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1570minor-latin'>SASD S53_Ludox6_40pct.dat</span></b>, one sees just one feature
1571with oscillations at higher Q. This is the signal for a non-dilute <span
1572class=SpellE>scatterer</span>. </p>
1573
1574<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1575 id="Picture_x0020_12" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt;
1576 height:450pt;visibility:visible;mso-wrap-style:square'>
1577 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1578  o:title=""/>
1579</v:shape><![endif]--><![if !vml]><img width=700 height=600
1580src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1581v:shapes="Picture_x0020_12"><![endif]></span></p>
1582
1583<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1584
1585<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1586style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1587mso-hansi-theme-font:minor-latin'>Models</span></b> from the GSASII data tree
1588under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1589mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD
1590S35_Ludox1_40pct.dat</span></b>, switch <b style='mso-bidi-font-weight:normal'><span
1591style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1592mso-hansi-theme-font:minor-latin'>Size dist.</span></b> to <b style='mso-bidi-font-weight:
1593normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1594minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>, and add
1595a reasonable value (<b style='mso-bidi-font-weight:normal'><span
1596style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1597mso-hansi-theme-font:minor-latin'>0.25</span></b>) for the <b style='mso-bidi-font-weight:
1598normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1599minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>; a
1600horizontal red line will appear. Next do <b style='mso-bidi-font-weight:normal'><span
1601style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1602mso-hansi-theme-font:minor-latin'>Models/Add</span></b>; the window will
1603display a default component; change the <b style='mso-bidi-font-weight:normal'><span
1604style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1605mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight:
1606normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1607minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>. Also change
1608the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1609mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Matrix</span></b>
1610to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1611mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Water</span></b>;
1612the calculated contrast should be 175.60 10<sup>20</sup>cm<sup>-4</sup>. The
1613plot will show a green curve corresponding to the default values.</p>
1614
1615<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1616 id="Picture_x0020_13" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt;
1617 height:450pt;visibility:visible;mso-wrap-style:square'>
1618 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1619  o:title=""/>
1620</v:shape><![endif]--><![if !vml]><img width=700 height=600
1621src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1622v:shapes="Picture_x0020_13"><![endif]></span></p>
1623
1624<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1625
1626<p class=MsoNormal>The default <span class=SpellE><b style='mso-bidi-font-weight:
1627normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1628minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1629style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1630mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1631of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1632mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1e+03</span></b>
1633is too large, try something smaller and increase the <span class=SpellE><b
1634style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1635mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1636style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1637mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1638(the sliders work well for this). Since this is a non-dilute system, change the
1639<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1640mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Structure
1641factor</span></b> to <b style='mso-bidi-font-weight:normal'><span
1642style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1643mso-hansi-theme-font:minor-latin'>Hard sphere</span></b> and set the <b
1644style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1645mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span
1646class=SpellE>VolFr</span></span></b> to <b style='mso-bidi-font-weight:normal'><span
1647style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1648mso-hansi-theme-font:minor-latin'>0.4</span></b>. Your data window should look
1649something like</p>
1650
1651<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1652 id="Picture_x0020_14" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:384.75pt;
1653 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1654 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1655  o:title=""/>
1656</v:shape><![endif]--><![if !vml]><img width=513 height=478
1657src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1658v:shapes="Picture_x0020_14"><![endif]></span></p>
1659
1660<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1661
1662<p class=MsoNormal>And the plot will be</p>
1663
1664<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1665 id="Picture_x0020_34" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
1666 height:450pt;visibility:visible;mso-wrap-style:square'>
1667 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1668  o:title=""/>
1669</v:shape><![endif]--><![if !vml]><img width=700 height=600
1670src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1671v:shapes="Picture_x0020_34"><![endif]></span><br clear=all style='mso-special-character:
1672line-break'>
1673</p>
1674
1675<p class=MsoNormal>The calculated curve shows oscillations but they are not in
1676the right place and are too broad. Try the <span class=SpellE><b
1677style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1678mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1679style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1680mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1681class=SpellE>StdDev</span></span></b> slider and make it smaller; somewhere
1682about <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1683mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.132</span></b>
1684gives a curve with the right shape but too high. Reduce the <span class=SpellE><b
1685style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1686mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1687style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1688mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1689to improve the match. Shift the <b style='mso-bidi-font-weight:normal'><span
1690style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1691mso-hansi-theme-font:minor-latin'>SF <span class=SpellE>Dist</span></span></b>
1692and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1693mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span
1694class=SpellE>VolFr</span></span></b> as well to get the curves to match.
1695Carefully manipulate each of the sliders to see what effect they have on the
1696calculated curve. With some adjustments I got</p>
1697
1698<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1699 id="Picture_x0020_36" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:384.75pt;
1700 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1701 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1702  o:title=""/>
1703</v:shape><![endif]--><![if !vml]><img width=513 height=478
1704src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1705v:shapes="Picture_x0020_36"><![endif]></span></p>
1706
1707<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1708
1709<p class=MsoNormal>to give a pretty nice initial fit.</p>
1710
1711<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1712 id="Picture_x0020_37" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1713 height:450pt;visibility:visible;mso-wrap-style:square'>
1714 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1715  o:title=""/>
1716</v:shape><![endif]--><![if !vml]><img width=700 height=600
1717src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1718v:shapes="Picture_x0020_37"><![endif]></span></p>
1719
1720<h2>Step 6: Initial refinement</h2>
1721
1722<p class=MsoNormal>We can be brave and set all six <b style='mso-bidi-font-weight:
1723normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1724minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b> boxes (NB: the
1725one for <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1726mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Matrix
1727Volume fraction</span></b> currently does not operate – ignore it). Then do <b
1728style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1729mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>;
1730the least squares very quickly minimizes to give</p>
1731
1732<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1733 id="Picture_x0020_38" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt;
1734 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1735 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1736  o:title=""/>
1737</v:shape><![endif]--><![if !vml]><img width=513 height=478
1738src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1739v:shapes="Picture_x0020_38"><![endif]></span></p>
1740
1741<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1742
1743<p class=MsoNormal>The console window lists the results</p>
1744
1745<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1746 id="Picture_x0020_39" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:609.75pt;
1747 height:152.25pt;visibility:visible;mso-wrap-style:square'>
1748 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1749  o:title=""/>
1750</v:shape><![endif]--><![if !vml]><img width=813 height=203
1751src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1752v:shapes="Picture_x0020_39"><![endif]></span></p>
1753
1754<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1755
1756<p class=MsoNormal>And the plot shows the fit graphically</p>
1757
1758<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1759 id="Picture_x0020_40" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
1760 height:450pt;visibility:visible;mso-wrap-style:square'>
1761 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1762  o:title=""/>
1763</v:shape><![endif]--><![if !vml]><img width=700 height=600
1764src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1765v:shapes="Picture_x0020_40"><![endif]></span></p>
1766
1767<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1768
1769<p class=MsoNormal>The fit is OK except for a region Q~0.03Å<sup>-1</sup>; this
1770is probably due to a failure of the simple hard sphere model in this
1771concentrated system.</p>
1772
1773<h2>Step 7: Sequential refinement</h2>
1774
1775<p class=MsoNormal>We are now ready to try a sequential refinement starting
1776with this fit for the 1<sup>st</sup> data set. Do <b style='mso-bidi-font-weight:
1777normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1778minor-latin;mso-hansi-theme-font:minor-latin'>Models/Sequential fit</span></b>;
1779a dialog box will appear for selection of the data sets.</p>
1780
1781<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1782 id="Picture_x0020_21" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:240pt;
1783 height:232.5pt;visibility:visible;mso-wrap-style:square'>
1784 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1785  o:title=""/>
1786</v:shape><![endif]--><![if !vml]><img width=320 height=310
1787src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1788v:shapes="Picture_x0020_21"><![endif]></span></p>
1789
1790<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1791
1792<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1793style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1794mso-hansi-theme-font:minor-latin'>Set All</span></b>, all boxes will be checked
1795showing selection of the data sets. Then press <b style='mso-bidi-font-weight:
1796normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1797minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; a new dialog box
1798will appear</p>
1799
1800<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1801 id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt;
1802 height:252pt;visibility:visible;mso-wrap-style:square'>
1803 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1804  o:title=""/>
1805</v:shape><![endif]--><![if !vml]><img width=346 height=336
1806src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1807v:shapes="Picture_x0020_33"><![endif]></span></p>
1808
1809<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1810
1811<p class=MsoNormal>This allows you to instruct the sequential refinement to
1812start at the last data set and proceed backwards through them (<b
1813style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1814mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reverse
1815sequence</span></b>). It also allows you to instruct the sequential refinement
1816to use the current parameters as starting values for the next data set. This
1817works in either direction and facilitates the initial sequential refinements.
1818NB: some sequential refinements do not work well in both directions; in this
1819particular case starting with a fitted 1% pattern and going in reverse through
1820the data fails on the 5% data set. Apparently the change in parameters is too
1821great for the least squares to handle; going in the forward direction works
1822just fine (as you will see next). Select <b style='mso-bidi-font-weight:normal'><span
1823style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1824mso-hansi-theme-font:minor-latin'>Copy from prev.</span></b> and press <b
1825style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1826mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1827the sequential refinement will proceed very rapidly displaying results for each
1828data set on the console and finally ending by displaying the <b
1829style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1830mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential
1831results.<o:p></o:p></span></b></p>
1832
1833<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1834 id="Picture_x0020_42" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:564pt;
1835 height:262.5pt;visibility:visible;mso-wrap-style:square'>
1836 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1837  o:title=""/>
1838</v:shape><![endif]--><![if !vml]><img width=752 height=350
1839src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1840v:shapes="Picture_x0020_42"><![endif]></span></p>
1841
1842<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1843
1844<p class=MsoNormal>Note the comment in the plot status bar: double click on the
1845<span class=GramE><b style='mso-bidi-font-weight:normal'><span
1846style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1847mso-hansi-theme-font:minor-latin'>0;Volume</span></b></span> and a new plot
1848will appear.</p>
1849
1850<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1851 id="Picture_x0020_43" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
1852 height:450pt;visibility:visible;mso-wrap-style:square'>
1853 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1854  o:title=""/>
1855</v:shape><![endif]--><![if !vml]><img width=700 height=600
1856src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1857v:shapes="Picture_x0020_43"><![endif]></span></p>
1858
1859<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1860
1861<p class=MsoNormal>Each point has an error bar extracted from the least squares
1862– it represents a 1 &#963; variation in the value. Now press the <b
1863style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1864mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>
1865key (or select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1866"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1867minor-latin'>s</span></b> from the <b style='mso-bidi-font-weight:normal'><span
1868style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1869mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear
1870with a selection of parameters to plot along the x-axis. Select <b
1871style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1872mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b>
1873and the plot will be redrawn (it may require selection of another column &amp;
1874then <span class=GramE><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'>0;Volume</span></b></span> to make it
1877appear).</p>
1878
1879<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1880 id="Picture_x0020_44" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1881 height:450pt;visibility:visible;mso-wrap-style:square'>
1882 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1883  o:title=""/>
1884</v:shape><![endif]--><![if !vml]><img width=700 height=600
1885src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1886v:shapes="Picture_x0020_44"><![endif]></span></p>
1887
1888<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1889
1890<p class=MsoNormal>It is gratifying how this relation between Volume and the
1891composition is linear. You can now determine the slope &amp; intercept (or fit to
1892some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight:
1893normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1894minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add function</span></b>
1895and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1896mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
1897Editor</span></b> dialog box will appear.</p>
1898
1899<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1900 id="Picture_x0020_26" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:465pt;
1901 height:225pt;visibility:visible;mso-wrap-style:square'>
1902 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1903  o:title=""/>
1904</v:shape><![endif]--><![if !vml]><img width=620 height=300
1905src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1906v:shapes="Picture_x0020_26"><![endif]></span></p>
1907
1908<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1909
1910<p class=MsoNormal>The pull down in the upper left corner has two choices;
1911select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1912mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>
1913and a new dialog box will appear giving you choices from the <b
1914style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1915mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential
1916results</span></b> table. Select <span class=GramE><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'>0;Volume</span></b></span> and
1919the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1920mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
1921Editor</span></b> will reappear.</p>
1922
1923<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1924 id="Picture_x0020_45" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:465pt;
1925 height:255pt;visibility:visible;mso-wrap-style:square'>
1926 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1927  o:title=""/>
1928</v:shape><![endif]--><![if !vml]><img width=620 height=340
1929src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1930v:shapes="Picture_x0020_45"><![endif]></span></p>
1931
1932<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1933
1934<p class=MsoNormal>Next enter the function you wish to use in fitting <span
1935class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1936"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1937minor-latin'>0:Volume</span></b></span>; enter <b style='mso-bidi-font-weight:
1938normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1939minor-latin;mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b>
1940(equation for a straight line). After a pause, the <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'>Expression Editor</span></b> will
1943be redrawn allowing you to assign <b style='mso-bidi-font-weight:normal'><span
1944style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1945mso-hansi-theme-font:minor-latin'>b</span></b>, <b style='mso-bidi-font-weight:
1946normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1947minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> &amp; <b
1948style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1949mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>.</p>
1950
1951<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1952 id="Picture_x0020_46" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt;
1953 height:255pt;visibility:visible;mso-wrap-style:square'>
1954 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1955  o:title=""/>
1956</v:shape><![endif]--><![if !vml]><img width=620 height=340
1957src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1958v:shapes="Picture_x0020_46"><![endif]></span></p>
1959
1960<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1961
1962<p class=MsoNormal>For <b style='mso-bidi-font-weight:normal'><span
1963style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1964mso-hansi-theme-font:minor-latin'>b</span></b> &amp; <b style='mso-bidi-font-weight:
1965normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1966minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> select <b
1967style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1968mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Free</span></b>;
1969these will be the parameters for your fit. For <b style='mso-bidi-font-weight:
1970normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1971minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b> select <b
1972style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1973mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>;
1974a new dialog box will appear giving you two choices.</p>
1975
1976<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1977 id="Picture_x0020_29" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468.75pt;
1978 height:187.5pt;visibility:visible;mso-wrap-style:square'>
1979 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1980  o:title=""/>
1981</v:shape><![endif]--><![if !vml]><img width=625 height=250
1982src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1983v:shapes="Picture_x0020_29"><![endif]></span></p>
1984
1985<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1986
1987<p class=MsoNormal>Select the 2<sup>nd</sup> line (<b style='mso-bidi-font-weight:
1988normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1989minor-latin;mso-hansi-theme-font:minor-latin'>fraction…</span></b>); it will
1990appear in blue. Then press <b style='mso-bidi-font-weight:normal'><span
1991style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1992mso-hansi-theme-font:minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight:
1993normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1994minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1995reappear with more information.</p>
1996
1997<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1998 id="Picture_x0020_47" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt;
1999 height:255pt;visibility:visible;mso-wrap-style:square'>
2000 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
2001  o:title=""/>
2002</v:shape><![endif]--><![if !vml]><img width=620 height=340
2003src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
2004v:shapes="Picture_x0020_47"><![endif]></span></p>
2005
2006<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2007
2008<p class=MsoNormal>Next press <b style='mso-bidi-font-weight:normal'><span
2009style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2010mso-hansi-theme-font:minor-latin'>OK</span></b>; the equation will be fitted to
2011the data and the results displayed on the console</p>
2012
2013<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2014 id="Picture_x0020_49" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:303.75pt;
2015 height:98.25pt;visibility:visible;mso-wrap-style:square'>
2016 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png"
2017  o:title=""/>
2018</v:shape><![endif]--><![if !vml]><img width=405 height=131
2019src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png"
2020v:shapes="Picture_x0020_49"><![endif]></span></p>
2021
2022<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2023
2024<p class=MsoNormal>And the plot shows the curve (in green) calculated from the
2025best fit, weighted by the <span class=SpellE>esds</span> on the data points, to
2026the model equation for a straight line.</p>
2027
2028<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2029 id="Picture_x0020_50" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
2030 height:450pt;visibility:visible;mso-wrap-style:square'>
2031 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png"
2032  o:title=""/>
2033</v:shape><![endif]--><![if !vml]><img width=700 height=600
2034src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png"
2035v:shapes="Picture_x0020_50"><![endif]></span></p>
2036
2037<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2038
2039<p class=MsoNormal>For this particular experiment there was an expectation that
2040the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2041mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Volume</span></b>s
2042obtained from the SASD model fits would match the makeup concentrations for
2043these samples so that the slope for this plot would be unity. One possible
2044explanation for the discrepancy is that the silica particles are partially
2045hydrated thus reducing the contrast from 175.6x10<sup>20</sup> cm<sup>-4</sup>
2046to something like 98x10<sup>20</sup>cm<sup>-4</sup>.</p>
2047
2048</div>
2049
2050</body>
2051
2052</html>
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