source: Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data.htm @ 1742

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412  <w:LsdException Locked="false" Priority="73" Name="Colorful Grid"/>
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
1200<body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'>
1201
1202<div class=WordSection1>
1203
1204<h1><strong><span style='mso-bidi-font-weight:normal'>Sequential Refinement of
1205Small Angle Scattering Data</span><o:p></o:p></strong></h1>
1206
1207<p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In
1208this tutorial you will fit USAXS small angle scattering data for “<span
1209class=SpellE>Ludox</span>” colloidal silica (Aldrich, LUDOX TM-50?) prepared in
1210a range of dilutions to demonstrate the sequential refinement technique in
1211GSAS-II for SASD and demonstrate fitting with a hard sphere structure factor
1212for non-dilute systems.<span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:
1213minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'><o:p></o:p></span></p>
1214
1215<p class=MsoNormal>If you have not done so already, start GSAS-II.</p>
1216
1217<h2>Step 1: read in the data files</h2>
1218
1219<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1220style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
1221style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
1222the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1223mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:
1224Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from q (A-1)
1225step X-ray QIE data file</span></b> menu item to read the data files into
1226GSAS-II. This read option is set to read three column small angle scattering
1227data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated standard deviation
1228in intensity; there may be a header with metadata information in the front of
1229this file.<span style='mso-spacerun:yes'>  </span>It will read multiple files
1230from a single directory. Change the file directory to <b style='mso-bidi-font-weight:
1231normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1232minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;
1233mso-bidi-theme-font:minor-latin'>exercises/<span class=SpellE>SAseqref</span></span></b><span
1234style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1235mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1236minor-latin'> to find the files.</span></p>
1237
1238<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span
1239style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
1240style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
1241the six<span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1242mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1243minor-latin'> data</span> files with ‘<span class=SpellE><b style='mso-bidi-font-weight:
1244normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1245minor-latin;mso-hansi-theme-font:minor-latin'>Ludox</span></b></span>’ in their
1246name in the first dialog and press <b style='mso-bidi-font-weight:normal'><span
1247style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1248mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font:
1249minor-latin'>Open</span></b>. All six will immediately be read into GSAS-II;
1250you will have to select the <b style='mso-bidi-font-weight:normal'><span
1251style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1252mso-hansi-theme-font:minor-latin'>any file (*.*)</span></b> filter to see them.</p>
1253
1254<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
1255
1256<p class=MsoNormal>At this point the <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'>GSAS-II data tree</span></b> window will have several entries and
1260the plot window will show the SASD pattern for one as a log-log plot of
1261intensity vs. Q; enter ‘<b style='mso-bidi-font-weight:normal'><span
1262style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1263mso-hansi-theme-font:minor-latin'>m</span></b>’ on the plot. Now all are shown;
1264one shows error bars (<b style='mso-bidi-font-weight:normal'><span
1265style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1266mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) as it is
1267the selected tree entry and the others as lines.</p>
1268
1269<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype
1270 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t"
1271 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f">
1272 <v:stroke joinstyle="miter"/>
1273 <v:formulas>
1274  <v:f eqn="if lineDrawn pixelLineWidth 0"/>
1275  <v:f eqn="sum @0 1 0"/>
1276  <v:f eqn="sum 0 0 @1"/>
1277  <v:f eqn="prod @2 1 2"/>
1278  <v:f eqn="prod @3 21600 pixelWidth"/>
1279  <v:f eqn="prod @3 21600 pixelHeight"/>
1280  <v:f eqn="sum @0 0 1"/>
1281  <v:f eqn="prod @6 1 2"/>
1282  <v:f eqn="prod @7 21600 pixelWidth"/>
1283  <v:f eqn="sum @8 21600 0"/>
1284  <v:f eqn="prod @7 21600 pixelHeight"/>
1285  <v:f eqn="sum @10 21600 0"/>
1286 </v:formulas>
1287 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
1288 <o:lock v:ext="edit" aspectratio="t"/>
1289</v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1056" type="#_x0000_t75"
1290 style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'>
1291 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
1292  o:title=""/>
1293</v:shape><![endif]--><![if !vml]><img width=700 height=600
1294src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png"
1295v:shapes="Picture_x0020_1"><![endif]></span></p>
1296
1297<h2><a name="_Ref386704789">Step 2: Set Limits</a></h2>
1298
1299<p class=MsoNormal>For this step we will reposition the limits to exclude the
1300low-Q (&lt;10<sup>-3</sup>) part of the patterns which do not seem to follow
1301the sequence evident in the 10<sup>-2</sup> – 10<sup>-1</sup> part. Select <b
1302style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1303mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Limits</span></b>
1304under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1305mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD
1306S35_Ludox_40pct.dat</span></b> from the GSAS-II tree. Set the lower limit using
1307the cursor on the plot by picking a point somewhere in the flat region at
1308Q~3x10<sup>-3</sup> with the left mouse button. The limits window should look
1309something like</p>
1310
1311<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1312 id="Picture_x0020_26" o:spid="_x0000_i1055" type="#_x0000_t75" style='width:225pt;
1313 height:195pt;visibility:visible;mso-wrap-style:square'>
1314 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
1315  o:title=""/>
1316</v:shape><![endif]--><![if !vml]><img width=300 height=260
1317src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png"
1318v:shapes="Picture_x0020_26"><![endif]></span><span
1319style='mso-spacerun:yes'> </span></p>
1320
1321<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1322
1323<p class=MsoNormal>To copy these limits to the other data sets use the <b
1324style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1325mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy</span></b>
1326command from the data window menu; a popup window will give the selection of
1327targets.<br>
1328<span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27"
1329 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:240pt;height:232.5pt;
1330 visibility:visible;mso-wrap-style:square'>
1331 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1332  o:title=""/>
1333</v:shape><![endif]--><![if !vml]><img width=320 height=310
1334src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png"
1335v:shapes="Picture_x0020_27"><![endif]></span></p>
1336
1337<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1338
1339<p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span
1340style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1341mso-hansi-theme-font:minor-latin'>Set All</span></b> (all boxes will be
1342checked) and then press <b style='mso-bidi-font-weight:normal'><span
1343style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1344mso-hansi-theme-font:minor-latin'>Enter</span></b> to do the copy.</p>
1345
1346<h2>Step 3 Select the scattering substances for your sample</h2>
1347
1348<p class=MsoNormal><span style='mso-no-proof:yes'>Two substances need to be
1349defined for your sample to give the anticipated scattering contrast; in this
1350case one is silica and the other is water. Parameters for a number of
1351substances are defined in the file </span><b style='mso-bidi-font-weight:normal'><span
1352style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1353mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span
1354style='mso-no-proof:yes'>. You can add your own substances to this or better
1355put them in </span><b style='mso-bidi-font-weight:normal'><span
1356style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1357mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span
1358style='mso-no-proof:yes'>; this is read after Substances.py when you load
1359substances for your selection. </span>Select <b style='mso-bidi-font-weight:
1360normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1361minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the
1362GSAS-II tree. Then do <b style='mso-bidi-font-weight:normal'><span
1363style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1364mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance from the menu;
1365a popup window will appear with possible selections</p>
1366
1367<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1368 id="Picture_x0020_3" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:259.5pt;
1369 height:252pt;visibility:visible;mso-wrap-style:square'>
1370 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1371  o:title=""/>
1372</v:shape><![endif]--><![if !vml]><img width=346 height=336
1373src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png"
1374v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p>
1375
1376<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1377
1378<p class=MsoNormal>Notice that silica is not one of the choices; we will add it
1379in a moment. Select <b style='mso-bidi-font-weight:normal'><span
1380style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1381mso-hansi-theme-font:minor-latin'>Water</span></b> and press <b
1382style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1383mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1384the relevant data for water (and vacuum) are displayed next</p>
1385
1386<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1387 id="Picture_x0020_28" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:259.5pt;
1388 height:195pt;visibility:visible;mso-wrap-style:square'>
1389 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1390  o:title=""/>
1391</v:shape><![endif]--><![if !vml]><img width=346 height=260
1392src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png"
1393v:shapes="Picture_x0020_28"><![endif]></span><span
1394style='mso-spacerun:yes'> </span></p>
1395
1396<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1397
1398<p class=MsoNormal>If desired, you can load/add as many substances as you want
1399to this list; you can also delete any of them (except vacuum). The composition,
1400volume occupied by the atoms in the composition and the density are given for
1401each substance. These can each be edited; the other values will change
1402accordingly. Since silica wasn’t in the list of known substances, do <b
1403style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1404mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add
1405substance</span></b> to create it; you will be asked for a name – enter <b
1406style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1407mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>
1408and then a periodic table of the elements will be shown. Select <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'>Si</span></b>
1411and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1412mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p>
1413
1414<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1415 id="Picture_x0020_29" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:435pt;
1416 height:270pt;visibility:visible;mso-wrap-style:square'>
1417 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1418  o:title=""/>
1419</v:shape><![endif]--><![if !vml]><img width=580 height=360
1420src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png"
1421v:shapes="Picture_x0020_29"><![endif]></span><span
1422style='mso-spacerun:yes'> </span></p>
1423
1424<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1425
1426<p class=MsoNormal>They appear in red. Press <b style='mso-bidi-font-weight:
1427normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1428minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> and silica will be
1429added to your substance list</p>
1430
1431<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1432 id="Picture_x0020_30" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:259.5pt;
1433 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1434 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1435  o:title=""/>
1436</v:shape><![endif]--><![if !vml]><img width=346 height=377
1437src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png"
1438v:shapes="Picture_x0020_30"><![endif]></span></p>
1439
1440<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1441
1442<p class=MsoNormal>Change the O-atom entry to <b style='mso-bidi-font-weight:
1443normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1444minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b> and the density to
1445<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1446mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.65</span></b>;
1447the window will change each time giving new values and should finally show</p>
1448
1449<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1450 id="Picture_x0020_8" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:259.5pt;
1451 height:282.75pt;visibility:visible;mso-wrap-style:square'>
1452 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1453  o:title=""/>
1454</v:shape><![endif]--><![if !vml]><img width=346 height=377
1455src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png"
1456v:shapes="Picture_x0020_8"><![endif]></span><span
1457style='mso-spacerun:yes'> </span></p>
1458
1459<p class=MsoNormal>From this information the scattering density and that as
1460affected by resonant scattering for the listed wavelength is displayed (the
1461wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span
1462style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1463mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree
1464item if needed). The resonant scattering value is used for contrast
1465calculations.</p>
1466
1467<p class=MsoNormal>Just as for Limits, this information needs to be copied to
1468the other SASD entries in the GSAS-II tree. Do <b style='mso-bidi-font-weight:
1469normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1470minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy substances</span></b>
1471from the data window menu and follow the same selection procedure as you used
1472for limits above.</p>
1473
1474<h2><a name="_Ref386699210">Step 4: Set Sample parameters</a> </h2>
1475
1476<p class=MsoNormal><span style='mso-no-proof:yes'>As these data sets were
1477collected from a sequence of samples where there was some variable changed in
1478their preparation, it would be useful to have this information available to
1479GSAS-II for subsequent analysis. Select Sample parameters from the data tree.
1480It shows (for </span><b style='mso-bidi-font-weight:normal'><span
1481style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1482mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat)<o:p></o:p></span></b></p>
1483
1484<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1485 id="Picture_x0020_9" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:291.75pt;
1486 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1487 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1488  o:title=""/>
1489</v:shape><![endif]--><![if !vml]><img width=389 height=518
1490src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png"
1491v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p>
1492
1493<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1494
1495<p class=MsoNormal><span style='mso-no-proof:yes'>NB: we will not be needing to
1496select the </span><b style='mso-bidi-font-weight:normal'><span
1497style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1498mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Material</span></b><span
1499style='mso-no-proof:yes'> for this analysis; material selection is only
1500required for </span><b style='mso-bidi-font-weight:normal'><span
1501style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1502mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size distribution</span></b><span
1503style='mso-no-proof:yes'> analysis. Notice that the last three column names can
1504be changed; pick the first one and change it to </span><b style='mso-bidi-font-weight:
1505normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1506minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>fraction</span></b><span
1507style='mso-no-proof:yes'>. Then enter </span><b style='mso-bidi-font-weight:
1508normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1509minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>0.01</span></b><span
1510style='mso-no-proof:yes'> which corresponds to the ‘</span><b style='mso-bidi-font-weight:
1511normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1512minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1pct</span></b><span
1513style='mso-no-proof:yes'>’ in the file name. The data window should look like<o:p></o:p></span></p>
1514
1515<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1516 id="Picture_x0020_10" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:291.75pt;
1517 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1518 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1519  o:title=""/>
1520</v:shape><![endif]--><![if !vml]><img width=389 height=518
1521src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png"
1522v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p>
1523
1524<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1525
1526<p class=MsoNormal><span style='mso-no-proof:yes'>Now do the same for the </span><b
1527style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1528mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:
1529yes'>Sample Parameters</span></b><span style='mso-no-proof:yes'> for the other
1530data sets putting in the correct fraction from the respective file names. If
1531you first </span><b style='mso-bidi-font-weight:normal'><span style='font-family:
1532"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1533minor-latin;mso-no-proof:yes'>Copy</span></b><span style='mso-no-proof:yes'>
1534this one to the others, that will save you the step of changing the names. You
1535will end up on the </span><b style='mso-bidi-font-weight:normal'><span
1536style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1537mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Sample parameters</span></b><span
1538style='mso-no-proof:yes'> page for </span><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'>SASD S53_Ludox6_40pct.dat </span></b>GSAS-II
1541data tree.</p>
1542
1543<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1544 id="Picture_x0020_11" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:291.75pt;
1545 height:388.5pt;visibility:visible;mso-wrap-style:square'>
1546 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1547  o:title=""/>
1548</v:shape><![endif]--><![if !vml]><img width=389 height=518
1549src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png"
1550v:shapes="Picture_x0020_11"><![endif]></span><span
1551style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><o:p></o:p></span></p>
1552
1553<h2>Step 5: Set Model parameters </h2>
1554
1555<p class=MsoNormal>Looking at the data plot (key ‘<b style='mso-bidi-font-weight:
1556normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1557minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b>’ to select a single
1558data set) for <b style='mso-bidi-font-weight:normal'><span style='font-family:
1559"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1560minor-latin'>SASD S53_Ludox6_40pct.dat</span></b>, one sees just one feature
1561with oscillations at higher Q. This is the signal for a non-dilute <span
1562class=SpellE>scatterer</span>. </p>
1563
1564<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1565 id="Picture_x0020_12" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt;
1566 height:450pt;visibility:visible;mso-wrap-style:square'>
1567 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1568  o:title=""/>
1569</v:shape><![endif]--><![if !vml]><img width=700 height=600
1570src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png"
1571v:shapes="Picture_x0020_12"><![endif]></span></p>
1572
1573<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1574
1575<p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span
1576style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1577mso-hansi-theme-font:minor-latin'>Models</span></b> from the GSASII data tree
1578under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1579mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD
1580S35_Ludox1_40pct.dat</span></b>, switch <b style='mso-bidi-font-weight:normal'><span
1581style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1582mso-hansi-theme-font:minor-latin'>Size dist.</span></b> to <b style='mso-bidi-font-weight:
1583normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1584minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>, and add
1585a reasonable value (<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'>0.25</span></b>) for the <b style='mso-bidi-font-weight:
1588normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1589minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>; a
1590horizontal red line will appear. Next do <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'>Models/Add</span></b>; the window will
1593display a default component; change the <b style='mso-bidi-font-weight:normal'><span
1594style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1595mso-hansi-theme-font:minor-latin'>Material</span></b> to <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'>silica</span></b>. Also change
1598the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1599mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Matrix</span></b>
1600to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1601mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Water</span></b>;
1602the calculated contrast should be 175.60 10<sup>20</sup>cm<sup>-4</sup>. The
1603plot will show a green curve corresponding to the default values.</p>
1604
1605<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1606 id="_x0000_i1044" type="#_x0000_t75" style='width:525pt;height:450pt;
1607 visibility:visible;mso-wrap-style:square'>
1608 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1609  o:title=""/>
1610</v:shape><![endif]--><![if !vml]><img width=700 height=600
1611src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png"
1612v:shapes="_x0000_i1044"><![endif]></span></p>
1613
1614<p class=MsoNormal><span style='mso-no-proof:yes'><o:p>&nbsp;</o:p></span></p>
1615
1616<p class=MsoNormal>The default <span class=SpellE><b style='mso-bidi-font-weight:
1617normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1618minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1619style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1620mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b>
1621of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1622mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1e+03</span></b>
1623is too large, try something smaller and increase the <span class=SpellE><b
1624style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1625mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1626style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1627mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b>
1628(the sliders work well for this). Since this is a non-dilute system, change the
1629<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1630mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Structure
1631factor</span></b> to <span class=GramE><b style='mso-bidi-font-weight:normal'><span
1632style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1633mso-hansi-theme-font:minor-latin'>Hard</span></b></span><b style='mso-bidi-font-weight:
1634normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1635minor-latin;mso-hansi-theme-font:minor-latin'> sphere</span></b> and set the <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'>SF <span
1638class=SpellE>VolFr</span></span></b> to <b style='mso-bidi-font-weight:normal'><span
1639style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1640mso-hansi-theme-font:minor-latin'>0.4</span></b>. Your data window should look
1641something like</p>
1642
1643<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1644 id="_x0000_i1043" type="#_x0000_t75" style='width:384.75pt;height:358.5pt;
1645 visibility:visible;mso-wrap-style:square'>
1646 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1647  o:title=""/>
1648</v:shape><![endif]--><![if !vml]><img width=513 height=478
1649src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png"
1650v:shapes="_x0000_i1043"><![endif]></span></p>
1651
1652<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1653
1654<p class=MsoNormal>And the plot will be</p>
1655
1656<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1657 id="Picture_x0020_34" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;
1658 height:450pt;visibility:visible;mso-wrap-style:square'>
1659 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1660  o:title=""/>
1661</v:shape><![endif]--><![if !vml]><img width=700 height=600
1662src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png"
1663v:shapes="Picture_x0020_34"><![endif]></span><br clear=all style='mso-special-character:
1664line-break'>
1665</p>
1666
1667<p class=MsoNormal>The calculated curve shows oscillations but they are not in
1668the right place and are too broad. Try the <span class=SpellE><b
1669style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1670mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b
1671style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1672mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span
1673class=SpellE>StdDev</span></span></b> slider and make it smaller; somewhere
1674about <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1675mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.132</span></b>
1676gives a curve with the right shape but too high. Reduce 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'> Volume</span></b>
1681to improve the match. Shift the <b style='mso-bidi-font-weight:normal'><span
1682style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1683mso-hansi-theme-font:minor-latin'>SF <span class=SpellE>Dist</span></span></b>
1684and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1685mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span
1686class=SpellE>VolFr</span></span></b> as well to get the curves to match.
1687Carefully manipulate each of the sliders to see what effect they have on the
1688calculated curve. With some adjustments I got</p>
1689
1690<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1691 id="Picture_x0020_36" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:384.75pt;
1692 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1693 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1694  o:title=""/>
1695</v:shape><![endif]--><![if !vml]><img width=513 height=478
1696src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png"
1697v:shapes="Picture_x0020_36"><![endif]></span></p>
1698
1699<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1700
1701<p class=MsoNormal><span class=GramE>to</span> give a pretty nice initial fit.</p>
1702
1703<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1704 id="Picture_x0020_37" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;
1705 height:450pt;visibility:visible;mso-wrap-style:square'>
1706 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1707  o:title=""/>
1708</v:shape><![endif]--><![if !vml]><img width=700 height=600
1709src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png"
1710v:shapes="Picture_x0020_37"><![endif]></span></p>
1711
1712<h2>Step 6: Initial refinement</h2>
1713
1714<p class=MsoNormal>We can be brave and set all six <b style='mso-bidi-font-weight:
1715normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1716minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span
1717class=GramE>boxes</span> (NB: the one for <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'>Matrix Volume fraction</span></b> currently
1720does not operate – ignore it). Then do <b style='mso-bidi-font-weight:normal'><span
1721style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1722mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; the least squares very
1723quickly minimizes to give</p>
1724
1725<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1726 id="Picture_x0020_38" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt;
1727 height:358.5pt;visibility:visible;mso-wrap-style:square'>
1728 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1729  o:title=""/>
1730</v:shape><![endif]--><![if !vml]><img width=513 height=478
1731src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png"
1732v:shapes="Picture_x0020_38"><![endif]></span></p>
1733
1734<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1735
1736<p class=MsoNormal>The console window lists the results</p>
1737
1738<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1739 id="Picture_x0020_39" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:609.75pt;
1740 height:152.25pt;visibility:visible;mso-wrap-style:square'>
1741 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1742  o:title=""/>
1743</v:shape><![endif]--><![if !vml]><img width=813 height=203
1744src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png"
1745v:shapes="Picture_x0020_39"><![endif]></span></p>
1746
1747<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1748
1749<p class=MsoNormal>And the plot shows the fit graphically</p>
1750
1751<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1752 id="Picture_x0020_40" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;
1753 height:450pt;visibility:visible;mso-wrap-style:square'>
1754 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1755  o:title=""/>
1756</v:shape><![endif]--><![if !vml]><img width=700 height=600
1757src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png"
1758v:shapes="Picture_x0020_40"><![endif]></span></p>
1759
1760<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1761
1762<p class=MsoNormal>The fit is OK except for a region Q~0.03Å<sup>-1</sup>; this
1763is probably due to a failure of the simple hard sphere model in this
1764concentrated system.</p>
1765
1766<h2>Step 7: Sequential refinement</h2>
1767
1768<p class=MsoNormal>We are now ready to try a sequential refinement starting
1769with this fit for the 1<sup>st</sup> data set. Do <b style='mso-bidi-font-weight:
1770normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1771minor-latin;mso-hansi-theme-font:minor-latin'>Models/Sequential fit</span></b>;
1772a dialog box will appear for selection of the data sets.</p>
1773
1774<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1775 id="Picture_x0020_21" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:240pt;
1776 height:232.5pt;visibility:visible;mso-wrap-style:square'>
1777 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1778  o:title=""/>
1779</v:shape><![endif]--><![if !vml]><img width=320 height=310
1780src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png"
1781v:shapes="Picture_x0020_21"><![endif]></span></p>
1782
1783<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1784
1785<p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span
1786style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1787mso-hansi-theme-font:minor-latin'>Set <span class=GramE>All</span></span></b>,
1788all boxes will be checked showing selection of the data sets. Then press <b
1789style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1790mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1791a new dialog box will appear</p>
1792
1793<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1794 id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt;
1795 height:252pt;visibility:visible;mso-wrap-style:square'>
1796 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1797  o:title=""/>
1798</v:shape><![endif]--><![if !vml]><img width=346 height=336
1799src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png"
1800v:shapes="Picture_x0020_33"><![endif]></span></p>
1801
1802<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1803
1804<p class=MsoNormal>This allows you to instruct the sequential refinement to
1805start at the last data set and proceed backwards through them (<b
1806style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1807mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reverse
1808sequence</span></b>). It also allows you to instruct the sequential refinement
1809to use the current parameters as starting values for the next data set. This
1810works in either direction and facilitates the initial sequential refinements.
1811NB: some sequential refinements do not work well in both directions; in this
1812particular case starting with a fitted 1% pattern and going in reverse through
1813the data fails on the 5% data set. Apparently the change in parameters is too
1814great for the least squares to handle; going in the forward direction works
1815just fine (as you will see next). Select <b style='mso-bidi-font-weight:normal'><span
1816style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1817mso-hansi-theme-font:minor-latin'>Copy from prev.</span></b> and press <b
1818style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1819mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>;
1820the sequential refinement will proceed very rapidly displaying results for each
1821data set on the console and finally ending by displaying the <b
1822style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1823mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential
1824results.<o:p></o:p></span></b></p>
1825
1826<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1827 id="Picture_x0020_42" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:564pt;
1828 height:262.5pt;visibility:visible;mso-wrap-style:square'>
1829 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1830  o:title=""/>
1831</v:shape><![endif]--><![if !vml]><img width=752 height=350
1832src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png"
1833v:shapes="Picture_x0020_42"><![endif]></span></p>
1834
1835<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1836
1837<p class=MsoNormal>Note the comment in the plot status bar: double click on the
1838<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1839mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1840class=GramE>;Volume</span></span></b> and a new plot will appear.</p>
1841
1842<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1843 id="Picture_x0020_43" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;
1844 height:450pt;visibility:visible;mso-wrap-style:square'>
1845 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1846  o:title=""/>
1847</v:shape><![endif]--><![if !vml]><img width=700 height=600
1848src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png"
1849v:shapes="Picture_x0020_43"><![endif]></span></p>
1850
1851<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1852
1853<p class=MsoNormal>Each point has an error bar extracted from the least squares
1854– it represents a 1 &#963; variation in the value. Now press the <b
1855style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1856mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b>
1857key (or select <b style='mso-bidi-font-weight:normal'><span style='font-family:
1858"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1859minor-latin'>s</span></b> from the <b style='mso-bidi-font-weight:normal'><span
1860style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1861mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear
1862with a selection of parameters to plot along the x-axis. Select <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'>fraction</span></b>
1865and the plot will be redrawn (it may require selection of another column &amp;
1866then <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1867mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1868class=GramE>;Volume</span></span></b> to make it appear).</p>
1869
1870<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1871 id="Picture_x0020_44" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;
1872 height:450pt;visibility:visible;mso-wrap-style:square'>
1873 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1874  o:title=""/>
1875</v:shape><![endif]--><![if !vml]><img width=700 height=600
1876src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png"
1877v:shapes="Picture_x0020_44"><![endif]></span></p>
1878
1879<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1880
1881<p class=MsoNormal>It is gratifying how this relation between Volume and the
1882composition is linear. You can now determine the slope &amp; intercept (or fit
1883to some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight:
1884normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1885minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add function</span></b>
1886and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1887mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
1888Editor</span></b> dialog box will appear.</p>
1889
1890<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1891 id="_x0000_i1031" type="#_x0000_t75" style='width:465pt;height:225pt;
1892 visibility:visible;mso-wrap-style:square'>
1893 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1894  o:title=""/>
1895</v:shape><![endif]--><![if !vml]><img width=620 height=300
1896src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png"
1897v:shapes="_x0000_i1031"><![endif]></span></p>
1898
1899<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1900
1901<p class=MsoNormal>The pull down in the upper left corner has two choices;
1902select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1903mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>
1904and a new dialog box will appear giving you choices from the <b
1905style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1906mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential
1907results</span></b> table. Select <b style='mso-bidi-font-weight:normal'><span
1908style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1909mso-hansi-theme-font:minor-latin'>0<span class=GramE>;Volume</span></span></b>
1910and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1911mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression
1912Editor</span></b> will reappear.</p>
1913
1914<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1915 id="Picture_x0020_45" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:465pt;
1916 height:255pt;visibility:visible;mso-wrap-style:square'>
1917 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1918  o:title=""/>
1919</v:shape><![endif]--><![if !vml]><img width=620 height=340
1920src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png"
1921v:shapes="Picture_x0020_45"><![endif]></span></p>
1922
1923<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1924
1925<p class=MsoNormal>Next enter the function you wish to use in fitting <b
1926style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1927mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span
1928class=GramE>:Volume</span></span></b>; enter <b style='mso-bidi-font-weight:
1929normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1930minor-latin;mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b>
1931(equation for a straight line). After a pause, the <b style='mso-bidi-font-weight:
1932normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1933minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1934be redrawn allowing you to assign <b style='mso-bidi-font-weight:normal'><span
1935style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1936mso-hansi-theme-font:minor-latin'>b</span></b>, <b style='mso-bidi-font-weight:
1937normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1938minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> &amp; <b
1939style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1940mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>.</p>
1941
1942<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1943 id="Picture_x0020_46" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt;
1944 height:255pt;visibility:visible;mso-wrap-style:square'>
1945 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1946  o:title=""/>
1947</v:shape><![endif]--><![if !vml]><img width=620 height=340
1948src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png"
1949v:shapes="Picture_x0020_46"><![endif]></span></p>
1950
1951<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1952
1953<p class=MsoNormal>For <b style='mso-bidi-font-weight:normal'><span
1954style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1955mso-hansi-theme-font:minor-latin'>b</span></b> &amp; <b style='mso-bidi-font-weight:
1956normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1957minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> select <span
1958class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family:
1959"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
1960minor-latin'>Free</span></b></span>; these will be the parameters for your fit.
1961For <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1962mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>
1963select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
1964mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>;
1965a new dialog box will appear giving you two choices.</p>
1966
1967<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1968 id="_x0000_i1028" type="#_x0000_t75" style='width:468.75pt;height:187.5pt;
1969 visibility:visible;mso-wrap-style:square'>
1970 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1971  o:title=""/>
1972</v:shape><![endif]--><![if !vml]><img width=625 height=250
1973src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png"
1974v:shapes="_x0000_i1028"><![endif]></span></p>
1975
1976<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1977
1978<p class=MsoNormal>Select the 2<sup>nd</sup> line (<b style='mso-bidi-font-weight:
1979normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1980minor-latin;mso-hansi-theme-font:minor-latin'>fraction…</span></b>); it will
1981appear in blue. Then press <b style='mso-bidi-font-weight:normal'><span
1982style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
1983mso-hansi-theme-font:minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight:
1984normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
1985minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will
1986reappear with more information.</p>
1987
1988<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
1989 id="Picture_x0020_47" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt;
1990 height:255pt;visibility:visible;mso-wrap-style:square'>
1991 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
1992  o:title=""/>
1993</v:shape><![endif]--><![if !vml]><img width=620 height=340
1994src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png"
1995v:shapes="Picture_x0020_47"><![endif]></span></p>
1996
1997<p class=MsoNormal><o:p>&nbsp;</o:p></p>
1998
1999<p class=MsoNormal>Next press <b style='mso-bidi-font-weight:normal'><span
2000style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
2001mso-hansi-theme-font:minor-latin'>OK</span></b>; the equation will be fitted to
2002the data and the results displayed on the console</p>
2003
2004<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2005 id="Picture_x0020_49" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:303.75pt;
2006 height:98.25pt;visibility:visible;mso-wrap-style:square'>
2007 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png"
2008  o:title=""/>
2009</v:shape><![endif]--><![if !vml]><img width=405 height=131
2010src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png"
2011v:shapes="Picture_x0020_49"><![endif]></span></p>
2012
2013<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2014
2015<p class=MsoNormal>And the plot shows the curve (in green) calculated from the
2016best fit, weighted by the <span class=SpellE>esds</span> on the data points, to
2017the model equation for a straight line.</p>
2018
2019<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
2020 id="Picture_x0020_50" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;
2021 height:450pt;visibility:visible;mso-wrap-style:square'>
2022 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png"
2023  o:title=""/>
2024</v:shape><![endif]--><![if !vml]><img width=700 height=600
2025src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png"
2026v:shapes="Picture_x0020_50"><![endif]></span></p>
2027
2028<p class=MsoNormal><o:p>&nbsp;</o:p></p>
2029
2030<p class=MsoNormal>For this particular experiment there was an expectation that
2031the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
2032mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Volume</span></b>s
2033obtained from the SASD model fits would match the makeup concentrations for
2034these samples so that the slope for this plot would be unity. One possible
2035explanation for the discrepancy is that the silica particles are partially
2036hydrated thus reducing the contrast from 175.6x10<sup>20</sup> cm<sup>-4</sup>
2037to something like 98x10<sup>20</sup>cm<sup>-4</sup>.</p>
2038
2039</div>
2040
2041</body>
2042
2043</html>
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