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332 | <w:LsdException Locked="false" Priority="19" SemiHidden="false" |
---|
333 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Emphasis"/> |
---|
334 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
---|
335 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
---|
336 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
---|
337 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
---|
338 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
---|
339 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
---|
340 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
---|
341 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
---|
342 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
---|
343 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
---|
344 | </w:LatentStyles> |
---|
345 | </xml><![endif]--> |
---|
346 | <style> |
---|
347 | <!-- |
---|
348 | /* Font Definitions */ |
---|
349 | @font-face |
---|
350 | {font-family:Calibri; |
---|
351 | panose-1:2 15 5 2 2 2 4 3 2 4; |
---|
352 | mso-font-charset:0; |
---|
353 | mso-generic-font-family:swiss; |
---|
354 | mso-font-pitch:variable; |
---|
355 | mso-font-signature:-536870145 1073786111 1 0 415 0;} |
---|
356 | @font-face |
---|
357 | {font-family:Tahoma; |
---|
358 | panose-1:2 11 6 4 3 5 4 4 2 4; |
---|
359 | mso-font-charset:0; |
---|
360 | mso-generic-font-family:swiss; |
---|
361 | mso-font-pitch:variable; |
---|
362 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
---|
363 | /* Style Definitions */ |
---|
364 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
---|
365 | {mso-style-unhide:no; |
---|
366 | mso-style-qformat:yes; |
---|
367 | mso-style-parent:""; |
---|
368 | margin:0in; |
---|
369 | margin-bottom:.0001pt; |
---|
370 | mso-pagination:widow-orphan; |
---|
371 | font-size:12.0pt; |
---|
372 | font-family:"Times New Roman","serif"; |
---|
373 | mso-fareast-font-family:"Times New Roman"; |
---|
374 | mso-fareast-theme-font:minor-fareast;} |
---|
375 | h1 |
---|
376 | {mso-style-priority:9; |
---|
377 | mso-style-unhide:no; |
---|
378 | mso-style-qformat:yes; |
---|
379 | mso-style-link:"Heading 1 Char"; |
---|
380 | mso-margin-top-alt:auto; |
---|
381 | margin-right:0in; |
---|
382 | mso-margin-bottom-alt:auto; |
---|
383 | margin-left:0in; |
---|
384 | mso-pagination:widow-orphan; |
---|
385 | mso-outline-level:1; |
---|
386 | font-size:24.0pt; |
---|
387 | font-family:"Times New Roman","serif"; |
---|
388 | mso-fareast-font-family:"Times New Roman"; |
---|
389 | mso-fareast-theme-font:minor-fareast; |
---|
390 | font-weight:bold;} |
---|
391 | h2 |
---|
392 | {mso-style-noshow:yes; |
---|
393 | mso-style-priority:9; |
---|
394 | mso-style-qformat:yes; |
---|
395 | mso-style-link:"Heading 2 Char"; |
---|
396 | mso-margin-top-alt:auto; |
---|
397 | margin-right:0in; |
---|
398 | mso-margin-bottom-alt:auto; |
---|
399 | margin-left:0in; |
---|
400 | mso-pagination:widow-orphan; |
---|
401 | mso-outline-level:2; |
---|
402 | font-size:18.0pt; |
---|
403 | font-family:"Times New Roman","serif"; |
---|
404 | mso-fareast-font-family:"Times New Roman"; |
---|
405 | mso-fareast-theme-font:minor-fareast; |
---|
406 | font-weight:bold;} |
---|
407 | h3 |
---|
408 | {mso-style-noshow:yes; |
---|
409 | mso-style-priority:9; |
---|
410 | mso-style-qformat:yes; |
---|
411 | mso-style-link:"Heading 3 Char"; |
---|
412 | mso-margin-top-alt:auto; |
---|
413 | margin-right:0in; |
---|
414 | mso-margin-bottom-alt:auto; |
---|
415 | margin-left:0in; |
---|
416 | mso-pagination:widow-orphan; |
---|
417 | mso-outline-level:3; |
---|
418 | font-size:13.5pt; |
---|
419 | font-family:"Times New Roman","serif"; |
---|
420 | mso-fareast-font-family:"Times New Roman"; |
---|
421 | mso-fareast-theme-font:minor-fareast; |
---|
422 | font-weight:bold;} |
---|
423 | h4 |
---|
424 | {mso-style-noshow:yes; |
---|
425 | mso-style-priority:9; |
---|
426 | mso-style-qformat:yes; |
---|
427 | mso-style-link:"Heading 4 Char"; |
---|
428 | mso-style-next:Normal; |
---|
429 | margin-top:10.0pt; |
---|
430 | margin-right:0in; |
---|
431 | margin-bottom:0in; |
---|
432 | margin-left:0in; |
---|
433 | margin-bottom:.0001pt; |
---|
434 | mso-pagination:widow-orphan lines-together; |
---|
435 | page-break-after:avoid; |
---|
436 | mso-outline-level:4; |
---|
437 | font-size:13.0pt; |
---|
438 | font-family:"Cambria","serif"; |
---|
439 | mso-ascii-font-family:Cambria; |
---|
440 | mso-ascii-theme-font:major-latin; |
---|
441 | mso-fareast-font-family:"Times New Roman"; |
---|
442 | mso-fareast-theme-font:major-fareast; |
---|
443 | mso-hansi-font-family:Cambria; |
---|
444 | mso-hansi-theme-font:major-latin; |
---|
445 | mso-bidi-font-family:"Times New Roman"; |
---|
446 | mso-bidi-theme-font:major-bidi; |
---|
447 | color:#4F81BD; |
---|
448 | mso-themecolor:accent1; |
---|
449 | font-weight:bold; |
---|
450 | font-style:italic;} |
---|
451 | h5 |
---|
452 | {mso-style-noshow:yes; |
---|
453 | mso-style-priority:9; |
---|
454 | mso-style-qformat:yes; |
---|
455 | mso-style-link:"Heading 5 Char"; |
---|
456 | mso-margin-top-alt:auto; |
---|
457 | margin-right:0in; |
---|
458 | mso-margin-bottom-alt:auto; |
---|
459 | margin-left:0in; |
---|
460 | mso-pagination:widow-orphan; |
---|
461 | mso-outline-level:5; |
---|
462 | font-size:12.0pt; |
---|
463 | font-family:"Times New Roman","serif"; |
---|
464 | mso-fareast-font-family:"Times New Roman"; |
---|
465 | mso-fareast-theme-font:minor-fareast; |
---|
466 | color:#4F4FFF; |
---|
467 | font-weight:bold;} |
---|
468 | a:link, span.MsoHyperlink |
---|
469 | {mso-style-noshow:yes; |
---|
470 | mso-style-priority:99; |
---|
471 | color:blue; |
---|
472 | text-decoration:underline; |
---|
473 | text-underline:single;} |
---|
474 | a:visited, span.MsoHyperlinkFollowed |
---|
475 | {mso-style-noshow:yes; |
---|
476 | mso-style-priority:99; |
---|
477 | color:purple; |
---|
478 | text-decoration:underline; |
---|
479 | text-underline:single;} |
---|
480 | p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap |
---|
481 | {mso-style-noshow:yes; |
---|
482 | mso-style-priority:99; |
---|
483 | mso-style-link:"Document Map Char"; |
---|
484 | margin:0in; |
---|
485 | margin-bottom:.0001pt; |
---|
486 | mso-pagination:widow-orphan; |
---|
487 | font-size:8.0pt; |
---|
488 | font-family:"Tahoma","sans-serif"; |
---|
489 | mso-fareast-font-family:"Times New Roman"; |
---|
490 | mso-fareast-theme-font:minor-fareast;} |
---|
491 | p |
---|
492 | {mso-style-noshow:yes; |
---|
493 | mso-style-priority:99; |
---|
494 | mso-margin-top-alt:auto; |
---|
495 | margin-right:0in; |
---|
496 | mso-margin-bottom-alt:auto; |
---|
497 | margin-left:0in; |
---|
498 | mso-pagination:widow-orphan; |
---|
499 | font-size:12.0pt; |
---|
500 | font-family:"Times New Roman","serif"; |
---|
501 | mso-fareast-font-family:"Times New Roman"; |
---|
502 | mso-fareast-theme-font:minor-fareast;} |
---|
503 | pre |
---|
504 | {mso-style-noshow:yes; |
---|
505 | mso-style-priority:99; |
---|
506 | mso-style-link:"HTML Preformatted Char"; |
---|
507 | margin:0in; |
---|
508 | margin-bottom:.0001pt; |
---|
509 | mso-pagination:widow-orphan; |
---|
510 | tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt; |
---|
511 | font-size:10.0pt; |
---|
512 | font-family:"Courier New"; |
---|
513 | mso-fareast-font-family:"Times New Roman";} |
---|
514 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
---|
515 | {mso-style-noshow:yes; |
---|
516 | mso-style-priority:99; |
---|
517 | mso-style-link:"Balloon Text Char"; |
---|
518 | margin:0in; |
---|
519 | margin-bottom:.0001pt; |
---|
520 | mso-pagination:widow-orphan; |
---|
521 | font-size:8.0pt; |
---|
522 | font-family:"Tahoma","sans-serif"; |
---|
523 | mso-fareast-font-family:"Times New Roman"; |
---|
524 | mso-fareast-theme-font:minor-fareast;} |
---|
525 | span.MsoPlaceholderText |
---|
526 | {mso-style-noshow:yes; |
---|
527 | mso-style-priority:99; |
---|
528 | mso-style-unhide:no; |
---|
529 | color:gray;} |
---|
530 | p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing |
---|
531 | {mso-style-noshow:yes; |
---|
532 | mso-style-priority:1; |
---|
533 | mso-style-unhide:no; |
---|
534 | mso-style-qformat:yes; |
---|
535 | mso-style-parent:""; |
---|
536 | margin:0in; |
---|
537 | margin-bottom:.0001pt; |
---|
538 | mso-pagination:widow-orphan; |
---|
539 | font-size:12.0pt; |
---|
540 | font-family:"Times New Roman","serif"; |
---|
541 | mso-fareast-font-family:"Times New Roman"; |
---|
542 | mso-fareast-theme-font:minor-fareast;} |
---|
543 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
---|
544 | {mso-style-noshow:yes; |
---|
545 | mso-style-priority:34; |
---|
546 | mso-style-unhide:no; |
---|
547 | mso-style-qformat:yes; |
---|
548 | margin-top:0in; |
---|
549 | margin-right:0in; |
---|
550 | margin-bottom:0in; |
---|
551 | margin-left:.5in; |
---|
552 | margin-bottom:.0001pt; |
---|
553 | mso-add-space:auto; |
---|
554 | mso-pagination:widow-orphan; |
---|
555 | font-size:12.0pt; |
---|
556 | font-family:"Times New Roman","serif"; |
---|
557 | mso-fareast-font-family:"Times New Roman"; |
---|
558 | mso-fareast-theme-font:minor-fareast;} |
---|
559 | p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
---|
560 | {mso-style-noshow:yes; |
---|
561 | mso-style-priority:34; |
---|
562 | mso-style-unhide:no; |
---|
563 | mso-style-qformat:yes; |
---|
564 | mso-style-type:export-only; |
---|
565 | margin-top:0in; |
---|
566 | margin-right:0in; |
---|
567 | margin-bottom:0in; |
---|
568 | margin-left:.5in; |
---|
569 | margin-bottom:.0001pt; |
---|
570 | mso-add-space:auto; |
---|
571 | mso-pagination:widow-orphan; |
---|
572 | font-size:12.0pt; |
---|
573 | font-family:"Times New Roman","serif"; |
---|
574 | mso-fareast-font-family:"Times New Roman"; |
---|
575 | mso-fareast-theme-font:minor-fareast;} |
---|
576 | p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
---|
577 | {mso-style-noshow:yes; |
---|
578 | mso-style-priority:34; |
---|
579 | mso-style-unhide:no; |
---|
580 | mso-style-qformat:yes; |
---|
581 | mso-style-type:export-only; |
---|
582 | margin-top:0in; |
---|
583 | margin-right:0in; |
---|
584 | margin-bottom:0in; |
---|
585 | margin-left:.5in; |
---|
586 | margin-bottom:.0001pt; |
---|
587 | mso-add-space:auto; |
---|
588 | mso-pagination:widow-orphan; |
---|
589 | font-size:12.0pt; |
---|
590 | font-family:"Times New Roman","serif"; |
---|
591 | mso-fareast-font-family:"Times New Roman"; |
---|
592 | mso-fareast-theme-font:minor-fareast;} |
---|
593 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
---|
594 | {mso-style-noshow:yes; |
---|
595 | mso-style-priority:34; |
---|
596 | mso-style-unhide:no; |
---|
597 | mso-style-qformat:yes; |
---|
598 | mso-style-type:export-only; |
---|
599 | margin-top:0in; |
---|
600 | margin-right:0in; |
---|
601 | margin-bottom:0in; |
---|
602 | margin-left:.5in; |
---|
603 | margin-bottom:.0001pt; |
---|
604 | mso-add-space:auto; |
---|
605 | mso-pagination:widow-orphan; |
---|
606 | font-size:12.0pt; |
---|
607 | font-family:"Times New Roman","serif"; |
---|
608 | mso-fareast-font-family:"Times New Roman"; |
---|
609 | mso-fareast-theme-font:minor-fareast;} |
---|
610 | span.MsoIntenseReference |
---|
611 | {mso-style-priority:32; |
---|
612 | mso-style-unhide:no; |
---|
613 | mso-style-qformat:yes; |
---|
614 | font-variant:small-caps; |
---|
615 | color:#C0504D; |
---|
616 | mso-themecolor:accent2; |
---|
617 | letter-spacing:.25pt; |
---|
618 | font-weight:bold; |
---|
619 | text-decoration:underline; |
---|
620 | text-underline:single;} |
---|
621 | span.Heading1Char |
---|
622 | {mso-style-name:"Heading 1 Char"; |
---|
623 | mso-style-priority:9; |
---|
624 | mso-style-unhide:no; |
---|
625 | mso-style-locked:yes; |
---|
626 | mso-style-link:"Heading 1"; |
---|
627 | mso-ansi-font-size:24.0pt; |
---|
628 | mso-bidi-font-size:24.0pt; |
---|
629 | font-family:"Times New Roman","serif"; |
---|
630 | mso-ascii-font-family:"Times New Roman"; |
---|
631 | mso-fareast-font-family:"Times New Roman"; |
---|
632 | mso-fareast-theme-font:minor-fareast; |
---|
633 | mso-hansi-font-family:"Times New Roman"; |
---|
634 | mso-bidi-font-family:"Times New Roman"; |
---|
635 | mso-font-kerning:18.0pt; |
---|
636 | font-weight:bold;} |
---|
637 | span.Heading2Char |
---|
638 | {mso-style-name:"Heading 2 Char"; |
---|
639 | mso-style-noshow:yes; |
---|
640 | mso-style-priority:9; |
---|
641 | mso-style-unhide:no; |
---|
642 | mso-style-locked:yes; |
---|
643 | mso-style-link:"Heading 2"; |
---|
644 | mso-ansi-font-size:18.0pt; |
---|
645 | mso-bidi-font-size:18.0pt; |
---|
646 | font-family:"Times New Roman","serif"; |
---|
647 | mso-ascii-font-family:"Times New Roman"; |
---|
648 | mso-fareast-font-family:"Times New Roman"; |
---|
649 | mso-fareast-theme-font:minor-fareast; |
---|
650 | mso-hansi-font-family:"Times New Roman"; |
---|
651 | mso-bidi-font-family:"Times New Roman"; |
---|
652 | font-weight:bold;} |
---|
653 | span.Heading3Char |
---|
654 | {mso-style-name:"Heading 3 Char"; |
---|
655 | mso-style-noshow:yes; |
---|
656 | mso-style-priority:9; |
---|
657 | mso-style-unhide:no; |
---|
658 | mso-style-locked:yes; |
---|
659 | mso-style-link:"Heading 3"; |
---|
660 | mso-ansi-font-size:13.5pt; |
---|
661 | mso-bidi-font-size:13.5pt; |
---|
662 | font-family:"Times New Roman","serif"; |
---|
663 | mso-ascii-font-family:"Times New Roman"; |
---|
664 | mso-fareast-font-family:"Times New Roman"; |
---|
665 | mso-fareast-theme-font:minor-fareast; |
---|
666 | mso-hansi-font-family:"Times New Roman"; |
---|
667 | mso-bidi-font-family:"Times New Roman"; |
---|
668 | font-weight:bold;} |
---|
669 | span.Heading4Char |
---|
670 | {mso-style-name:"Heading 4 Char"; |
---|
671 | mso-style-noshow:yes; |
---|
672 | mso-style-priority:9; |
---|
673 | mso-style-unhide:no; |
---|
674 | mso-style-locked:yes; |
---|
675 | mso-style-link:"Heading 4"; |
---|
676 | mso-ansi-font-size:13.0pt; |
---|
677 | mso-bidi-font-size:13.0pt; |
---|
678 | font-family:"Cambria","serif"; |
---|
679 | mso-ascii-font-family:Cambria; |
---|
680 | mso-ascii-theme-font:major-latin; |
---|
681 | mso-fareast-font-family:"Times New Roman"; |
---|
682 | mso-fareast-theme-font:major-fareast; |
---|
683 | mso-hansi-font-family:Cambria; |
---|
684 | mso-hansi-theme-font:major-latin; |
---|
685 | mso-bidi-font-family:"Times New Roman"; |
---|
686 | mso-bidi-theme-font:major-bidi; |
---|
687 | color:#4F81BD; |
---|
688 | mso-themecolor:accent1; |
---|
689 | font-weight:bold; |
---|
690 | font-style:italic;} |
---|
691 | span.Heading5Char |
---|
692 | {mso-style-name:"Heading 5 Char"; |
---|
693 | mso-style-noshow:yes; |
---|
694 | mso-style-priority:9; |
---|
695 | mso-style-unhide:no; |
---|
696 | mso-style-locked:yes; |
---|
697 | mso-style-link:"Heading 5"; |
---|
698 | mso-ansi-font-size:12.0pt; |
---|
699 | mso-bidi-font-size:12.0pt; |
---|
700 | font-family:"Times New Roman","serif"; |
---|
701 | mso-ascii-font-family:"Times New Roman"; |
---|
702 | mso-fareast-font-family:"Times New Roman"; |
---|
703 | mso-fareast-theme-font:minor-fareast; |
---|
704 | mso-hansi-font-family:"Times New Roman"; |
---|
705 | mso-bidi-font-family:"Times New Roman"; |
---|
706 | color:#4F4FFF; |
---|
707 | font-weight:bold;} |
---|
708 | span.HTMLPreformattedChar |
---|
709 | {mso-style-name:"HTML Preformatted Char"; |
---|
710 | mso-style-noshow:yes; |
---|
711 | mso-style-priority:99; |
---|
712 | mso-style-unhide:no; |
---|
713 | mso-style-locked:yes; |
---|
714 | mso-style-link:"HTML Preformatted"; |
---|
715 | font-family:"Courier New"; |
---|
716 | mso-ascii-font-family:"Courier New"; |
---|
717 | mso-fareast-font-family:"Times New Roman"; |
---|
718 | mso-hansi-font-family:"Courier New"; |
---|
719 | mso-bidi-font-family:"Courier New";} |
---|
720 | span.DocumentMapChar |
---|
721 | {mso-style-name:"Document Map Char"; |
---|
722 | mso-style-noshow:yes; |
---|
723 | mso-style-priority:99; |
---|
724 | mso-style-unhide:no; |
---|
725 | mso-style-locked:yes; |
---|
726 | mso-style-link:"Document Map"; |
---|
727 | mso-ansi-font-size:8.0pt; |
---|
728 | mso-bidi-font-size:8.0pt; |
---|
729 | font-family:"Tahoma","sans-serif"; |
---|
730 | mso-ascii-font-family:Tahoma; |
---|
731 | mso-fareast-font-family:"Times New Roman"; |
---|
732 | mso-fareast-theme-font:minor-fareast; |
---|
733 | mso-hansi-font-family:Tahoma; |
---|
734 | mso-bidi-font-family:Tahoma;} |
---|
735 | span.BalloonTextChar |
---|
736 | {mso-style-name:"Balloon Text Char"; |
---|
737 | mso-style-noshow:yes; |
---|
738 | mso-style-priority:99; |
---|
739 | mso-style-unhide:no; |
---|
740 | mso-style-locked:yes; |
---|
741 | mso-style-link:"Balloon Text"; |
---|
742 | mso-ansi-font-size:8.0pt; |
---|
743 | mso-bidi-font-size:8.0pt; |
---|
744 | font-family:"Tahoma","sans-serif"; |
---|
745 | mso-ascii-font-family:Tahoma; |
---|
746 | mso-fareast-font-family:"Times New Roman"; |
---|
747 | mso-fareast-theme-font:minor-fareast; |
---|
748 | mso-hansi-font-family:Tahoma; |
---|
749 | mso-bidi-font-family:Tahoma;} |
---|
750 | span.SpellE |
---|
751 | {mso-style-name:""; |
---|
752 | mso-spl-e:yes;} |
---|
753 | span.GramE |
---|
754 | {mso-style-name:""; |
---|
755 | mso-gram-e:yes;} |
---|
756 | .MsoChpDefault |
---|
757 | {mso-style-type:export-only; |
---|
758 | mso-default-props:yes; |
---|
759 | font-size:10.0pt; |
---|
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882 | |
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883 | <div class=WordSection1> |
---|
884 | |
---|
885 | <h1><strong>Fitting</strong><strong><span style='mso-bidi-font-weight:normal'> |
---|
886 | Small Angle X-Ray Data Alumina Powder</span><o:p></o:p></strong></h1> |
---|
887 | |
---|
888 | <p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In |
---|
889 | this tutorial you will fit small angle scattering data for an alumina polishing |
---|
890 | powder using data from a constant wavelength synchrotron X-ray USAXS |
---|
891 | instrument. You will use both a lognormal distribution of spherical particles |
---|
892 | model and a unified <span class=SpellE>Guinier-Porod</span> model. The data |
---|
893 | were collected from <span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font: |
---|
894 | minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>powders |
---|
895 | spread onto sticky tape and covered with another layer of the same tape. The |
---|
896 | data were corrected for background using data collected from two layers of |
---|
897 | sticky tape. However, the sample thickness is not</span> accurately known <span |
---|
898 | style='mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin; |
---|
899 | mso-bidi-font-weight:bold;mso-bidi-font-style:italic'>so the data are not |
---|
900 | calibrated on an absolute scale.<o:p></o:p></span></p> |
---|
901 | |
---|
902 | <p class=MsoNormal>If you have not done so already, <a |
---|
903 | href="Starting%20GSAS.htm">start GSAS-II</a>.</p> |
---|
904 | |
---|
905 | <h2>Step 1: read in the data file</h2> |
---|
906 | |
---|
907 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
---|
908 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
---|
909 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>If |
---|
910 | you have saved the GSAS-II project file from the <b style='mso-bidi-font-weight: |
---|
911 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
912 | minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> |
---|
913 | tutorial, use <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
914 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
915 | minor-latin'>File/Open project
</span></b> menu item to retrieve the data; |
---|
916 | plots of the size distribution and the data will appear. Then go to <!--[if supportFields]><b |
---|
917 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
918 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'><span |
---|
919 | style='mso-element:field-begin'></span><span |
---|
920 | style='mso-spacerun:yes'> </span>REF _Ref386704789 \h<span |
---|
921 | style='mso-spacerun:yes'> </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b |
---|
922 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
923 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 2: Set |
---|
924 | Limits<!--[if gte mso 9]><xml> |
---|
925 | <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003700300034003700380039000000</w:data> |
---|
926 | </xml><![endif]--></span></b><!--[if supportFields]><b style='mso-bidi-font-weight: |
---|
927 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
928 | minor-latin;mso-hansi-theme-font:minor-latin'><span style='mso-element:field-end'></span></span></b><![endif]-->. |
---|
929 | Otherwise, use the <b style='mso-bidi-font-weight:normal'><span |
---|
930 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
931 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
932 | minor-latin'>Import/Small Angle Data/from a q step QIE data file</span></b> |
---|
933 | menu item to read the data file into GSAS-II. This read option is set to read |
---|
934 | three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>, |
---|
935 | intensity and estimated standard deviation in intensity; there may be a header |
---|
936 | with metadata information in the front of this file.<span |
---|
937 | style='mso-spacerun:yes'> </span>Change the file directory to <b |
---|
938 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
939 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
---|
940 | Calibri;mso-bidi-theme-font:minor-latin'>Exercises/Small angle</span></b><span |
---|
941 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
942 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
943 | minor-latin'> to find the file</span>; you will have to select the <b |
---|
944 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
945 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file |
---|
946 | (*.*)</span></b> filter to see it.</p> |
---|
947 | |
---|
948 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
---|
949 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
---|
950 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
---|
951 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
952 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
---|
953 | Calibri;mso-bidi-theme-font:minor-latin'>alumina data.dat</span></b><span |
---|
954 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
955 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
956 | minor-latin'> data</span> file in the first dialog and press <b |
---|
957 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
958 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
---|
959 | Calibri;mso-bidi-theme-font:minor-latin'>Open</span></b>. There will be a |
---|
960 | Dialog box asking <span class=GramE><b style='mso-bidi-font-weight:normal'><span |
---|
961 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
962 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
963 | minor-latin'>Is</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
964 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
965 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
966 | minor-latin'> this the file you want?</span></b> Press <span class=GramE><b |
---|
967 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
968 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
---|
969 | Calibri;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> button to |
---|
970 | proceed.</p> |
---|
971 | |
---|
972 | <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span |
---|
973 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
974 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
---|
975 | minor-latin'>GSAS-II data tree</span></b> window will have several entries and |
---|
976 | the plot window will show the SASD pattern as a log-log plot of intensity vs. Q</p> |
---|
977 | |
---|
978 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype |
---|
979 | id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t" |
---|
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---|
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---|
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---|
983 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
---|
984 | <v:f eqn="sum @0 1 0"/> |
---|
985 | <v:f eqn="sum 0 0 @1"/> |
---|
986 | <v:f eqn="prod @2 1 2"/> |
---|
987 | <v:f eqn="prod @3 21600 pixelWidth"/> |
---|
988 | <v:f eqn="prod @3 21600 pixelHeight"/> |
---|
989 | <v:f eqn="sum @0 0 1"/> |
---|
990 | <v:f eqn="prod @6 1 2"/> |
---|
991 | <v:f eqn="prod @7 21600 pixelWidth"/> |
---|
992 | <v:f eqn="sum @8 21600 0"/> |
---|
993 | <v:f eqn="prod @7 21600 pixelHeight"/> |
---|
994 | <v:f eqn="sum @10 21600 0"/> |
---|
995 | </v:formulas> |
---|
996 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
---|
997 | <o:lock v:ext="edit" aspectratio="t"/> |
---|
998 | </v:shapetype><v:shape id="Picture_x0020_6" o:spid="_x0000_i1047" type="#_x0000_t75" |
---|
999 | style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1000 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" |
---|
1001 | o:title=""/> |
---|
1002 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1003 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image001.png" v:shapes="Picture_x0020_6"><![endif]></span></p> |
---|
1004 | |
---|
1005 | <h2><a name="_Ref386704789">Step 2: Set Limits</a></h2> |
---|
1006 | |
---|
1007 | <p class=MsoNormal>For this step we will reposition the limits to exclude only |
---|
1008 | the last point in the pattern as it does appear to be somewhat suspect (see |
---|
1009 | plot). Select <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1010 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1011 | minor-latin'>Limits</span></b> under <b style='mso-bidi-font-weight:normal'><span |
---|
1012 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1013 | mso-hansi-theme-font:minor-latin'>SASD alumina data.dat</span></b> from the |
---|
1014 | GSAS-II tree. Set the upper limit using the cursor on the plot by picking the |
---|
1015 | next-to-last point on the curve with the left or right mouse button. The limits |
---|
1016 | window should look like</p> |
---|
1017 | |
---|
1018 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1019 | id="Picture_x0020_15" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:225pt; |
---|
1020 | height:195pt;visibility:visible;mso-wrap-style:square'> |
---|
1021 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png" |
---|
1022 | o:title=""/> |
---|
1023 | </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260 |
---|
1024 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image002.png" v:shapes="Picture_x0020_15"><![endif]></span><span |
---|
1025 | style='mso-spacerun:yes'> </span></p> |
---|
1026 | |
---|
1027 | <h2>Step 3 Select the scattering substances for your sample</h2> |
---|
1028 | |
---|
1029 | <p class=MsoNormal><span style='mso-no-proof:yes'>If you have already done this |
---|
1030 | step in the </span><b style='mso-bidi-font-weight:normal'><span |
---|
1031 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1032 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size Distribution</span></b><span |
---|
1033 | style='mso-no-proof:yes'> tutorial, skip to </span><!--[if supportFields]><b |
---|
1034 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1035 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof: |
---|
1036 | yes'><span style='mso-element:field-begin'></span><span |
---|
1037 | style='mso-spacerun:yes'> </span>REF _Ref386699439 \h<span |
---|
1038 | style='mso-spacerun:yes'> </span>\* MERGEFORMAT <span style='mso-element:field-separator'></span></span></b><![endif]--><b |
---|
1039 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1040 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Step 4 |
---|
1041 | Creation and Refinement of Log Normal Particle Model<span style='mso-no-proof: |
---|
1042 | yes'><!--[if gte mso 9]><xml> |
---|
1043 | <w:data>08D0C9EA79F9BACE118C8200AA004BA90B02000000080000000E0000005F005200650066003300380036003600390039003400330039000000</w:data> |
---|
1044 | </xml><![endif]--></span></span></b><!--[if supportFields]><b style='mso-bidi-font-weight: |
---|
1045 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1046 | minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'><span |
---|
1047 | style='mso-element:field-end'></span></span></b><![endif]--><span |
---|
1048 | style='mso-no-proof:yes'>. Two substances need to be defined for your sample to |
---|
1049 | give the anticipated scattering contrast; in this case one is alumina and the |
---|
1050 | other is vacuum (really air). Parameters for a number of substances are |
---|
1051 | defined in the file </span><b style='mso-bidi-font-weight:normal'><span |
---|
1052 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1053 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span |
---|
1054 | style='mso-no-proof:yes'>. You can add your own substances to this or better |
---|
1055 | put them in </span><b style='mso-bidi-font-weight:normal'><span |
---|
1056 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1057 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span |
---|
1058 | style='mso-no-proof:yes'>; this is read after Substances.py when you load |
---|
1059 | substances for your selection. </span>Select <b style='mso-bidi-font-weight: |
---|
1060 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1061 | minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> under <b |
---|
1062 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1063 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina |
---|
1064 | data.dat</span></b> from the GSAS-II tree. Then do <b style='mso-bidi-font-weight: |
---|
1065 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1066 | minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance |
---|
1067 | from the menu; a popup window will appear with possible selections</p> |
---|
1068 | |
---|
1069 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1070 | id="Picture_x0020_3" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:259.5pt; |
---|
1071 | height:252pt;visibility:visible;mso-wrap-style:square'> |
---|
1072 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" |
---|
1073 | o:title=""/> |
---|
1074 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336 |
---|
1075 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image003.png" v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p> |
---|
1076 | |
---|
1077 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1078 | |
---|
1079 | <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span |
---|
1080 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1081 | mso-hansi-theme-font:minor-latin'>Alumina</span></b> and press <b |
---|
1082 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1083 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; |
---|
1084 | the relevant data for alumina (and vacuum) are displayed next</p> |
---|
1085 | |
---|
1086 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1087 | id="Picture_x0020_4" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:259.5pt; |
---|
1088 | height:195pt;visibility:visible;mso-wrap-style:square'> |
---|
1089 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png" |
---|
1090 | o:title=""/> |
---|
1091 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=260 |
---|
1092 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span><span |
---|
1093 | style='mso-spacerun:yes'> </span></p> |
---|
1094 | |
---|
1095 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1096 | |
---|
1097 | <p class=MsoNormal>If desired you can load/add as many substances as you desire |
---|
1098 | into this list; you can also delete any of them (except vacuum). The |
---|
1099 | composition, volume occupied by the atoms in the composition and the density |
---|
1100 | are given for each substance. These can each be edited; the other values will |
---|
1101 | change accordingly. If your substance isnt in the list, you can <b |
---|
1102 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1103 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add |
---|
1104 | substance</span></b> to create a new one (you will be asked for a name and the |
---|
1105 | set of elements in two successive popup windows). From this information the |
---|
1106 | scattering density and that as affected by resonant scattering for the listed |
---|
1107 | wavelength is displayed (the wavelength can be changed in the <b |
---|
1108 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1109 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Instrument |
---|
1110 | Parameters</span></b> GSAS-II tree item if needed). The resonant scattering |
---|
1111 | value is used for contrast calculations.</p> |
---|
1112 | |
---|
1113 | <h2><a name="_Ref386699439"></a><a name="_Ref386699331"><span style='mso-bookmark: |
---|
1114 | _Ref386699439'>Step 4 </span></a><span style='mso-bookmark:_Ref386699439'>Creation |
---|
1115 | and Refinement of Log Normal Particle Model</span></h2> |
---|
1116 | |
---|
1117 | <p class=MsoNormal>You are now ready to attempt fitting the data with a log |
---|
1118 | normal distribution of spherical particles. Thus youll need to select <b |
---|
1119 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1120 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b> |
---|
1121 | under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1122 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina |
---|
1123 | data.dat</span></b> from the GSAS-II tree; the data window will display the <b |
---|
1124 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1125 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b> |
---|
1126 | display;<span style='mso-no-proof:yes'> </span>change this to <b |
---|
1127 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1128 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b> |
---|
1129 | using the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1130 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Modeling by</span></b> |
---|
1131 | pull down. NB: GSAS-II will remember your selection the next time you enter |
---|
1132 | this <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1133 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models</span></b> |
---|
1134 | data tree item.</p> |
---|
1135 | |
---|
1136 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1137 | id="Picture_x0020_16" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:379.5pt; |
---|
1138 | height:142.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1139 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" |
---|
1140 | o:title=""/> |
---|
1141 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=190 |
---|
1142 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image005.png" v:shapes="Picture_x0020_16"><![endif]></span></p> |
---|
1143 | |
---|
1144 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1145 | |
---|
1146 | <p class=MsoNormal>If you had done the <b style='mso-bidi-font-weight:normal'><span |
---|
1147 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1148 | mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> tutorial, you |
---|
1149 | would know that there were two populations of particles in the sample. One had |
---|
1150 | a mean diameter of ~1300A and the other had a mean diameter of ~150A. You will |
---|
1151 | also need something to describe the very lowest Q portion of the data. Do <b |
---|
1152 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1153 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b> |
---|
1154 | from the menu; the data window will change and the plots will be refreshed. |
---|
1155 | Your first step is to change the <b style='mso-bidi-font-weight:normal'><span |
---|
1156 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1157 | mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight: |
---|
1158 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1159 | minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> and make sure |
---|
1160 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1161 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> |
---|
1162 | is something reasonable (<b style='mso-bidi-font-weight:normal'><span |
---|
1163 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1164 | mso-hansi-theme-font:minor-latin'>0.11</span></b>) based on the data at highest |
---|
1165 | Q; again the data window and plots will be refreshed.</p> |
---|
1166 | |
---|
1167 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1168 | id="Picture_x0020_17" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:379.5pt; |
---|
1169 | height:315pt;visibility:visible;mso-wrap-style:square'> |
---|
1170 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" |
---|
1171 | o:title=""/> |
---|
1172 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=420 |
---|
1173 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image006.png" v:shapes="Picture_x0020_17"><![endif]></span></p> |
---|
1174 | |
---|
1175 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1176 | |
---|
1177 | <p class=MsoNormal>The data plot shows a horizontal red line for the background |
---|
1178 | and a green one calculated from your selected model. </p> |
---|
1179 | |
---|
1180 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1181 | id="Picture_x0020_18" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt; |
---|
1182 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1183 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" |
---|
1184 | o:title=""/> |
---|
1185 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1186 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image007.png" v:shapes="Picture_x0020_18"><![endif]></span></p> |
---|
1187 | |
---|
1188 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1189 | |
---|
1190 | <p class=MsoNormal>You can manually adjust the calculated curve by using the |
---|
1191 | sliders: increase <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1192 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1193 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1194 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1195 | minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> and decrease <span |
---|
1196 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1197 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1198 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1199 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1200 | mso-hansi-theme-font:minor-latin'> Mean</span></b> to improve the fit. NB: The <span |
---|
1201 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1202 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1203 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1204 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1205 | mso-hansi-theme-font:minor-latin'> Mean</span></b> is a radius so its value is |
---|
1206 | roughly œ the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1207 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1208 | minor-latin'>Size Distribution</span></b> result. The sliders cover 2 orders of |
---|
1209 | magnitude; their range is reset if a value is entered in the value field. After |
---|
1210 | changing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1211 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1212 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1213 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1214 | minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> to <b |
---|
1215 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1216 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>700</span></b> |
---|
1217 | and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1218 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1219 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1220 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1221 | minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> to <b |
---|
1222 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1223 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.0953</span></b> |
---|
1224 | my plot is</p> |
---|
1225 | |
---|
1226 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1227 | id="Picture_x0020_19" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt; |
---|
1228 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1229 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" |
---|
1230 | o:title=""/> |
---|
1231 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1232 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image008.png" v:shapes="Picture_x0020_19"><![endif]></span></p> |
---|
1233 | |
---|
1234 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1235 | |
---|
1236 | <p class=MsoNormal>There is an obvious discrepancy at low Q and a much less |
---|
1237 | obvious one at Q~0.03-4Å<sup>-1</sup>; the latter is responsible for the ~150Å |
---|
1238 | peak in the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1239 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1240 | minor-latin'>Size Distribution</span></b> result. Do another <b |
---|
1241 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1242 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Add</span></b> |
---|
1243 | to include it. The data window now shows two components</p> |
---|
1244 | |
---|
1245 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1246 | id="Picture_x0020_20" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:379.5pt; |
---|
1247 | height:487.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1248 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" |
---|
1249 | o:title=""/> |
---|
1250 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=650 |
---|
1251 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image009.png" v:shapes="Picture_x0020_20"><![endif]></span></p> |
---|
1252 | |
---|
1253 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1254 | |
---|
1255 | <p class=MsoNormal>Note the <b style='mso-bidi-font-weight:normal'><span |
---|
1256 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1257 | mso-hansi-theme-font:minor-latin'>Material</span></b> for the new one is preset |
---|
1258 | to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1259 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Alumina</span></b> |
---|
1260 | to save you the easily forgotten step of setting it. Change <span class=SpellE><b |
---|
1261 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1262 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1263 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1264 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> |
---|
1265 | to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1266 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>75</span></b> |
---|
1267 | (i.e. œ of 150) and reduce <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1268 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1269 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1270 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1271 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> |
---|
1272 | to make the green curve better match the data (you can inset <b |
---|
1273 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1274 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0</span></b>s |
---|
1275 | in the value & play with the slider something like <b style='mso-bidi-font-weight: |
---|
1276 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1277 | minor-latin;mso-hansi-theme-font:minor-latin'>0.0003</span></b> looks good). My |
---|
1278 | fit looked like</p> |
---|
1279 | |
---|
1280 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1281 | id="Picture_x0020_21" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt; |
---|
1282 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1283 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" |
---|
1284 | o:title=""/> |
---|
1285 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1286 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image010.png" v:shapes="Picture_x0020_21"><![endif]></span></p> |
---|
1287 | |
---|
1288 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1289 | |
---|
1290 | <p class=MsoNormal>Finally we need to deal with the low Q region this is |
---|
1291 | probably due to some agglomeration of the 1300Å articles which is best |
---|
1292 | described by a pure <span class=SpellE>Porod</span> power law scattering model. |
---|
1293 | Do another <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1294 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1295 | minor-latin'>Models/Add</span></b> and change the <b style='mso-bidi-font-weight: |
---|
1296 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1297 | minor-latin;mso-hansi-theme-font:minor-latin'>Distribution </span></b>selection |
---|
1298 | to <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1299 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1300 | mso-hansi-theme-font:minor-latin'>Porod</span></b></span>. The third component |
---|
1301 | is then (Ive shrunk the window & moved the scroll bar).</p> |
---|
1302 | |
---|
1303 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1304 | id="Picture_x0020_22" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:379.5pt; |
---|
1305 | height:270.75pt;visibility:visible;mso-wrap-style:square'> |
---|
1306 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" |
---|
1307 | o:title=""/> |
---|
1308 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=361 |
---|
1309 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image011.png" v:shapes="Picture_x0020_22"><![endif]></span></p> |
---|
1310 | |
---|
1311 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1312 | |
---|
1313 | <p class=MsoNormal>The green curve on the plot looks very poor</p> |
---|
1314 | |
---|
1315 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1316 | id="Picture_x0020_23" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt; |
---|
1317 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1318 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" |
---|
1319 | o:title=""/> |
---|
1320 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1321 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image012.png" v:shapes="Picture_x0020_23"><![endif]></span></p> |
---|
1322 | |
---|
1323 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1324 | |
---|
1325 | <p class=MsoNormal>Not to worry, all the problem is in the <span class=SpellE>Porod</span> |
---|
1326 | component variables. Remembering that this is likely to be an agglomeration of |
---|
1327 | 1300Å particles; set the <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1328 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1329 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1330 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1331 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> |
---|
1332 | to that value. That immediately restores the higher Q portion of the fit.</p> |
---|
1333 | |
---|
1334 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1335 | id="Picture_x0020_24" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt; |
---|
1336 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1337 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" |
---|
1338 | o:title=""/> |
---|
1339 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1340 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image013.png" v:shapes="Picture_x0020_24"><![endif]></span></p> |
---|
1341 | |
---|
1342 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1343 | |
---|
1344 | <p class=MsoNormal>Next use the <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1345 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1346 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1347 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1348 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> |
---|
1349 | (power law exponent) slider to adjust the fit. In this case setting <span |
---|
1350 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1351 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1352 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1353 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1354 | mso-hansi-theme-font:minor-latin'> P</span></b> to ~<b style='mso-bidi-font-weight: |
---|
1355 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1356 | minor-latin;mso-hansi-theme-font:minor-latin'>3.25</span></b> gives a pretty |
---|
1357 | good fit without needing to adjust the <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1358 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1359 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1360 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1361 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> B</span></b> |
---|
1362 | <span class=SpellE>prefactor</span>.</p> |
---|
1363 | |
---|
1364 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1365 | id="Picture_x0020_25" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt; |
---|
1366 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1367 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" |
---|
1368 | o:title=""/> |
---|
1369 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1370 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image014.png" v:shapes="Picture_x0020_25"><![endif]></span></p> |
---|
1371 | |
---|
1372 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1373 | |
---|
1374 | <p class=MsoNormal>Finally, you can refine these coefficients to find the best fit |
---|
1375 | to the data. As a beginner, Id start by refining just the two <span |
---|
1376 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1377 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1378 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1379 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1380 | mso-hansi-theme-font:minor-latin'> Volume</span></b> and the <span |
---|
1381 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1382 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1383 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1384 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1385 | mso-hansi-theme-font:minor-latin'> B</span></b> along with the <b |
---|
1386 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1387 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> |
---|
1388 | parameters (one might be able to refine everything at once, but then again it |
---|
1389 | might not work). Check the <b style='mso-bidi-font-weight:normal'><span |
---|
1390 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1391 | mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span class=GramE>boxes</span> |
---|
1392 | for these parameters. Do <b style='mso-bidi-font-weight:normal'><span |
---|
1393 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1394 | mso-hansi-theme-font:minor-latin'>Models/Fit </span></b>to do the least squares |
---|
1395 | refinement; convergence will occur very quickly. NB: if the refinement messes |
---|
1396 | up, you can recover the previous result; do <b style='mso-bidi-font-weight: |
---|
1397 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1398 | minor-latin;mso-hansi-theme-font:minor-latin'>Models/Undo</span></b> to |
---|
1399 | recover. Then add the two <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1400 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1401 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1402 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1403 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> |
---|
1404 | and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1405 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1406 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1407 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1408 | minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> parameters to the |
---|
1409 | refinement, again convergence is easily obtained. Finally, add the two <span |
---|
1410 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1411 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1412 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1413 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1414 | mso-hansi-theme-font:minor-latin'> <span class=SpellE>StdDev</span></span></b> |
---|
1415 | and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1416 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1417 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1418 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1419 | minor-latin;mso-hansi-theme-font:minor-latin'> Cutoff</span></b> parameters (a |
---|
1420 | total of ten) to the list. The result is a really nice fit to the data with |
---|
1421 | reasonable values; the console window shows the full results of the refinement</p> |
---|
1422 | |
---|
1423 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1424 | id="Picture_x0020_28" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:549.75pt; |
---|
1425 | height:206.25pt;visibility:visible;mso-wrap-style:square'> |
---|
1426 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" |
---|
1427 | o:title=""/> |
---|
1428 | </v:shape><![endif]--><![if !vml]><img border=0 width=733 height=275 |
---|
1429 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image015.png" v:shapes="Picture_x0020_28"><![endif]></span></p> |
---|
1430 | |
---|
1431 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1432 | |
---|
1433 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1434 | id="Picture_x0020_27" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt; |
---|
1435 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1436 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" |
---|
1437 | o:title=""/> |
---|
1438 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1439 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image016.png" v:shapes="Picture_x0020_27"><![endif]></span></p> |
---|
1440 | |
---|
1441 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1442 | |
---|
1443 | <p class=MsoNormal>If you had done a <b style='mso-bidi-font-weight:normal'><span |
---|
1444 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1445 | mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> analysis, these |
---|
1446 | results are plotted as component curves on that plot as well</p> |
---|
1447 | |
---|
1448 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1449 | id="Picture_x0020_29" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt; |
---|
1450 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1451 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" |
---|
1452 | o:title=""/> |
---|
1453 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1454 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image017.png" v:shapes="Picture_x0020_29"><![endif]></span></p> |
---|
1455 | |
---|
1456 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1457 | |
---|
1458 | <p class=MsoNormal>This is the sort of agreement one should expect between the |
---|
1459 | best log normal fit and the size distribution. To save these results you must |
---|
1460 | do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1461 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save |
---|
1462 | project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span |
---|
1463 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1464 | mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p> |
---|
1465 | |
---|
1466 | <h2>Step 6 Creation of a Unified <span class=SpellE>Guinier-Porod</span> Model</h2> |
---|
1467 | |
---|
1468 | <p class=MsoNormal>For the Unified model there is assumed to be particles with |
---|
1469 | some radius of gyration (<span class=SpellE>Guinier</span> model) with a power |
---|
1470 | law distribution tail (<span class=SpellE>Porod</span> model). This can be set |
---|
1471 | for your model by changing the <b style='mso-bidi-font-weight:normal'><span |
---|
1472 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1473 | mso-hansi-theme-font:minor-latin'>Distribution</span></b> for the first two |
---|
1474 | components to <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1475 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1476 | minor-latin'>Unified</span></b>. NB: the log normal coefficients are not lost |
---|
1477 | by this step; they can be recovered by simply changing the <b style='mso-bidi-font-weight: |
---|
1478 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1479 | minor-latin;mso-hansi-theme-font:minor-latin'>Distribution</span></b> back to <span |
---|
1480 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1481 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1482 | minor-latin'>LogNormal</span></b></span>. The data window values give the |
---|
1483 | defaults for these components</p> |
---|
1484 | |
---|
1485 | <p class=MsoNormal><span style='mso-no-proof:yes'><span |
---|
1486 | style='mso-spacerun:yes'> </span><!--[if gte vml 1]><v:shape id="Picture_x0020_30" |
---|
1487 | o:spid="_x0000_i1030" type="#_x0000_t75" style='width:379.5pt;height:546pt; |
---|
1488 | visibility:visible;mso-wrap-style:square'> |
---|
1489 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" |
---|
1490 | o:title=""/> |
---|
1491 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=728 |
---|
1492 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image018.png" v:shapes="Picture_x0020_30"><![endif]></span></p> |
---|
1493 | |
---|
1494 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1495 | |
---|
1496 | <p class=MsoNormal>And the plot shows a poor fit</p> |
---|
1497 | |
---|
1498 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1499 | id="Picture_x0020_31" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt; |
---|
1500 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1501 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" |
---|
1502 | o:title=""/> |
---|
1503 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1504 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image019.png" v:shapes="Picture_x0020_31"><![endif]></span></p> |
---|
1505 | |
---|
1506 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1507 | |
---|
1508 | <p class=MsoNormal>First, change the <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1509 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1510 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1511 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1512 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span |
---|
1513 | class=SpellE>Rg</span></span></b> values to be about œ the <b style='mso-bidi-font-weight: |
---|
1514 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1515 | minor-latin;mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> |
---|
1516 | results (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1517 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1518 | minor-latin'>700</span></b> & <b style='mso-bidi-font-weight:normal'><span |
---|
1519 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1520 | mso-hansi-theme-font:minor-latin'>75</span></b>), then set the <span |
---|
1521 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1522 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1523 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1524 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1525 | mso-hansi-theme-font:minor-latin'> Cutoff</span></b> value for the <span |
---|
1526 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1527 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1528 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1529 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1530 | mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b>=700 |
---|
1531 | one to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1532 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>100</span></b>. |
---|
1533 | Next, change the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1534 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1535 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1536 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1537 | minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> for the <span |
---|
1538 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1539 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1540 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1541 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1542 | mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=700</span></b> |
---|
1543 | one to be about the Intensity value for the lower Q bump in the data (~<b |
---|
1544 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1545 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1.0e6</span></b>). |
---|
1546 | Finally, reduce the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1547 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1548 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1549 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1550 | minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b> value for the <span |
---|
1551 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1552 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1553 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1554 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1555 | mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span>=75</span></b> |
---|
1556 | component to get the best fit to the data (~<b style='mso-bidi-font-weight: |
---|
1557 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1558 | minor-latin;mso-hansi-theme-font:minor-latin'>210</span></b>). The data window |
---|
1559 | looks like</p> |
---|
1560 | |
---|
1561 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1562 | id="Picture_x0020_32" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:379.5pt; |
---|
1563 | height:546pt;visibility:visible;mso-wrap-style:square'> |
---|
1564 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" |
---|
1565 | o:title=""/> |
---|
1566 | </v:shape><![endif]--><![if !vml]><img border=0 width=506 height=728 |
---|
1567 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image020.png" v:shapes="Picture_x0020_32"><![endif]></span></p> |
---|
1568 | |
---|
1569 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1570 | |
---|
1571 | <p class=MsoNormal>And the plot looks like</p> |
---|
1572 | |
---|
1573 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1574 | id="Picture_x0020_33" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt; |
---|
1575 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1576 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" |
---|
1577 | o:title=""/> |
---|
1578 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1579 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image021.png" v:shapes="Picture_x0020_33"><![endif]></span></p> |
---|
1580 | |
---|
1581 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1582 | |
---|
1583 | <p class=MsoNormal>This is probably close enough to do a refinement. Select <b |
---|
1584 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1585 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b> |
---|
1586 | For <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1587 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1588 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1589 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1590 | minor-latin;mso-hansi-theme-font:minor-latin'> G</span></b>, <span |
---|
1591 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1592 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1593 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1594 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1595 | mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> and <span |
---|
1596 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1597 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1598 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1599 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1600 | mso-hansi-theme-font:minor-latin'> B</span></b> for both components (the <span |
---|
1601 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1602 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1603 | minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight:normal'><span |
---|
1604 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1605 | mso-hansi-theme-font:minor-latin'> B</span></b>, <span class=SpellE><b |
---|
1606 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1607 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1608 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1609 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> P</span></b> |
---|
1610 | and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1611 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background |
---|
1612 | Refine?</span></b> boxes should also be checked). Then do <b style='mso-bidi-font-weight: |
---|
1613 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1614 | minor-latin;mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; it should |
---|
1615 | rapidly converge to give in the console window</p> |
---|
1616 | |
---|
1617 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1618 | id="Picture_x0020_34" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:549.75pt; |
---|
1619 | height:206.25pt;visibility:visible;mso-wrap-style:square'> |
---|
1620 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" |
---|
1621 | o:title=""/> |
---|
1622 | </v:shape><![endif]--><![if !vml]><img border=0 width=733 height=275 |
---|
1623 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image022.png" v:shapes="Picture_x0020_34"><![endif]></span></p> |
---|
1624 | |
---|
1625 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1626 | |
---|
1627 | <p class=MsoNormal>And the closeness of the fit to the data in the plot is</p> |
---|
1628 | |
---|
1629 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1630 | id="Picture_x0020_35" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt; |
---|
1631 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1632 | <v:imagedata src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" |
---|
1633 | o:title=""/> |
---|
1634 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1635 | src="Fitting%20Small%20Angle%20Scattering%20Data_files/image023.png" v:shapes="Picture_x0020_35"><![endif]></span></p> |
---|
1636 | |
---|
1637 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1638 | |
---|
1639 | <p class=MsoNormal>This fit is almost as close as the log normal one done |
---|
1640 | earlier. However, the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1641 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1642 | mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b style='mso-bidi-font-weight: |
---|
1643 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1644 | minor-latin;mso-hansi-theme-font:minor-latin'> <span class=SpellE>Rg</span></span></b> |
---|
1645 | values are a bit less than the corresponding <span class=SpellE><b |
---|
1646 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1647 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
---|
1648 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1649 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> |
---|
1650 | values obtained earlier. Also note that this model makes no reference to the substance |
---|
1651 | contrast used earlier (the <b style='mso-bidi-font-weight:normal'><span |
---|
1652 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1653 | mso-hansi-theme-font:minor-latin'>Size Distribution</span></b> plot will not |
---|
1654 | have curves calculated from this model). To save these results you must do <b |
---|
1655 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1656 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save |
---|
1657 | project </span></b>in the main <b style='mso-bidi-font-weight:normal'><span |
---|
1658 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1659 | mso-hansi-theme-font:minor-latin'>GSAS-II data tree</span></b> window.</p> |
---|
1660 | |
---|
1661 | <p class=MsoNormal>This concludes the SASD modeling tutorial.</p> |
---|
1662 | |
---|
1663 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1664 | |
---|
1665 | <p class=MsoNormal><o:p> </o:p></p> |
---|
1666 | |
---|
1667 | </div> |
---|
1668 | |
---|
1669 | </body> |
---|
1670 | |
---|
1671 | </html> |
---|