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332 | UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/> |
---|
333 | <w:LsdException Locked="false" Priority="19" SemiHidden="false" |
---|
334 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Emphasis"/> |
---|
335 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
---|
336 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
---|
337 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
---|
338 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
---|
339 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
---|
340 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
---|
341 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
---|
342 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
---|
343 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
---|
344 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
---|
345 | </w:LatentStyles> |
---|
346 | </xml><![endif]--> |
---|
347 | <style> |
---|
348 | <!-- |
---|
349 | /* Font Definitions */ |
---|
350 | @font-face |
---|
351 | {font-family:Calibri; |
---|
352 | panose-1:2 15 5 2 2 2 4 3 2 4; |
---|
353 | mso-font-charset:0; |
---|
354 | mso-generic-font-family:swiss; |
---|
355 | mso-font-pitch:variable; |
---|
356 | mso-font-signature:-520092929 1073786111 9 0 415 0;} |
---|
357 | @font-face |
---|
358 | {font-family:Tahoma; |
---|
359 | panose-1:2 11 6 4 3 5 4 4 2 4; |
---|
360 | mso-font-charset:0; |
---|
361 | mso-generic-font-family:swiss; |
---|
362 | mso-font-pitch:variable; |
---|
363 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
---|
364 | /* Style Definitions */ |
---|
365 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
---|
366 | {mso-style-unhide:no; |
---|
367 | mso-style-qformat:yes; |
---|
368 | mso-style-parent:""; |
---|
369 | margin:0in; |
---|
370 | margin-bottom:.0001pt; |
---|
371 | mso-pagination:widow-orphan; |
---|
372 | font-size:12.0pt; |
---|
373 | font-family:"Times New Roman","serif"; |
---|
374 | mso-fareast-font-family:"Times New Roman"; |
---|
375 | mso-fareast-theme-font:minor-fareast;} |
---|
376 | h1 |
---|
377 | {mso-style-priority:9; |
---|
378 | mso-style-unhide:no; |
---|
379 | mso-style-qformat:yes; |
---|
380 | mso-style-link:"Heading 1 Char"; |
---|
381 | mso-margin-top-alt:auto; |
---|
382 | margin-right:0in; |
---|
383 | mso-margin-bottom-alt:auto; |
---|
384 | margin-left:0in; |
---|
385 | mso-pagination:widow-orphan; |
---|
386 | mso-outline-level:1; |
---|
387 | font-size:24.0pt; |
---|
388 | font-family:"Times New Roman","serif"; |
---|
389 | mso-fareast-font-family:"Times New Roman"; |
---|
390 | mso-fareast-theme-font:minor-fareast; |
---|
391 | font-weight:bold;} |
---|
392 | h2 |
---|
393 | {mso-style-noshow:yes; |
---|
394 | mso-style-priority:9; |
---|
395 | mso-style-qformat:yes; |
---|
396 | mso-style-link:"Heading 2 Char"; |
---|
397 | mso-margin-top-alt:auto; |
---|
398 | margin-right:0in; |
---|
399 | mso-margin-bottom-alt:auto; |
---|
400 | margin-left:0in; |
---|
401 | mso-pagination:widow-orphan; |
---|
402 | mso-outline-level:2; |
---|
403 | font-size:18.0pt; |
---|
404 | font-family:"Times New Roman","serif"; |
---|
405 | mso-fareast-font-family:"Times New Roman"; |
---|
406 | mso-fareast-theme-font:minor-fareast; |
---|
407 | font-weight:bold;} |
---|
408 | h3 |
---|
409 | {mso-style-noshow:yes; |
---|
410 | mso-style-priority:9; |
---|
411 | mso-style-qformat:yes; |
---|
412 | mso-style-link:"Heading 3 Char"; |
---|
413 | mso-margin-top-alt:auto; |
---|
414 | margin-right:0in; |
---|
415 | mso-margin-bottom-alt:auto; |
---|
416 | margin-left:0in; |
---|
417 | mso-pagination:widow-orphan; |
---|
418 | mso-outline-level:3; |
---|
419 | font-size:13.5pt; |
---|
420 | font-family:"Times New Roman","serif"; |
---|
421 | mso-fareast-font-family:"Times New Roman"; |
---|
422 | mso-fareast-theme-font:minor-fareast; |
---|
423 | font-weight:bold;} |
---|
424 | h4 |
---|
425 | {mso-style-noshow:yes; |
---|
426 | mso-style-priority:9; |
---|
427 | mso-style-qformat:yes; |
---|
428 | mso-style-link:"Heading 4 Char"; |
---|
429 | mso-style-next:Normal; |
---|
430 | margin-top:10.0pt; |
---|
431 | margin-right:0in; |
---|
432 | margin-bottom:0in; |
---|
433 | margin-left:0in; |
---|
434 | margin-bottom:.0001pt; |
---|
435 | mso-pagination:widow-orphan lines-together; |
---|
436 | page-break-after:avoid; |
---|
437 | mso-outline-level:4; |
---|
438 | font-size:13.0pt; |
---|
439 | font-family:"Cambria","serif"; |
---|
440 | mso-ascii-font-family:Cambria; |
---|
441 | mso-ascii-theme-font:major-latin; |
---|
442 | mso-fareast-font-family:"Times New Roman"; |
---|
443 | mso-fareast-theme-font:major-fareast; |
---|
444 | mso-hansi-font-family:Cambria; |
---|
445 | mso-hansi-theme-font:major-latin; |
---|
446 | mso-bidi-font-family:"Times New Roman"; |
---|
447 | mso-bidi-theme-font:major-bidi; |
---|
448 | color:#4F81BD; |
---|
449 | mso-themecolor:accent1; |
---|
450 | font-weight:bold; |
---|
451 | font-style:italic;} |
---|
452 | h5 |
---|
453 | {mso-style-noshow:yes; |
---|
454 | mso-style-priority:9; |
---|
455 | mso-style-qformat:yes; |
---|
456 | mso-style-link:"Heading 5 Char"; |
---|
457 | mso-margin-top-alt:auto; |
---|
458 | margin-right:0in; |
---|
459 | mso-margin-bottom-alt:auto; |
---|
460 | margin-left:0in; |
---|
461 | mso-pagination:widow-orphan; |
---|
462 | mso-outline-level:5; |
---|
463 | font-size:12.0pt; |
---|
464 | font-family:"Times New Roman","serif"; |
---|
465 | mso-fareast-font-family:"Times New Roman"; |
---|
466 | mso-fareast-theme-font:minor-fareast; |
---|
467 | color:#4F4FFF; |
---|
468 | font-weight:bold;} |
---|
469 | p.MsoTitle, li.MsoTitle, div.MsoTitle |
---|
470 | {mso-style-noshow:yes; |
---|
471 | mso-style-priority:10; |
---|
472 | mso-style-unhide:no; |
---|
473 | mso-style-qformat:yes; |
---|
474 | mso-style-link:"Title Char"; |
---|
475 | mso-style-next:Normal; |
---|
476 | margin-top:0in; |
---|
477 | margin-right:0in; |
---|
478 | margin-bottom:15.0pt; |
---|
479 | margin-left:0in; |
---|
480 | mso-add-space:auto; |
---|
481 | mso-pagination:widow-orphan; |
---|
482 | border:none; |
---|
483 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
---|
484 | mso-border-bottom-themecolor:accent1; |
---|
485 | padding:0in; |
---|
486 | mso-padding-alt:0in 0in 4.0pt 0in; |
---|
487 | font-size:26.0pt; |
---|
488 | font-family:"Cambria","serif"; |
---|
489 | mso-ascii-font-family:Cambria; |
---|
490 | mso-ascii-theme-font:major-latin; |
---|
491 | mso-fareast-font-family:"Times New Roman"; |
---|
492 | mso-fareast-theme-font:major-fareast; |
---|
493 | mso-hansi-font-family:Cambria; |
---|
494 | mso-hansi-theme-font:major-latin; |
---|
495 | mso-bidi-font-family:"Times New Roman"; |
---|
496 | mso-bidi-theme-font:major-bidi; |
---|
497 | color:#17365D; |
---|
498 | mso-themecolor:text2; |
---|
499 | mso-themeshade:191; |
---|
500 | letter-spacing:.25pt; |
---|
501 | mso-font-kerning:14.0pt;} |
---|
502 | p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst |
---|
503 | {mso-style-noshow:yes; |
---|
504 | mso-style-priority:10; |
---|
505 | mso-style-unhide:no; |
---|
506 | mso-style-qformat:yes; |
---|
507 | mso-style-link:"Title Char"; |
---|
508 | mso-style-next:Normal; |
---|
509 | mso-style-type:export-only; |
---|
510 | margin:0in; |
---|
511 | margin-bottom:.0001pt; |
---|
512 | mso-add-space:auto; |
---|
513 | mso-pagination:widow-orphan; |
---|
514 | border:none; |
---|
515 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
---|
516 | mso-border-bottom-themecolor:accent1; |
---|
517 | padding:0in; |
---|
518 | mso-padding-alt:0in 0in 4.0pt 0in; |
---|
519 | font-size:26.0pt; |
---|
520 | font-family:"Cambria","serif"; |
---|
521 | mso-ascii-font-family:Cambria; |
---|
522 | mso-ascii-theme-font:major-latin; |
---|
523 | mso-fareast-font-family:"Times New Roman"; |
---|
524 | mso-fareast-theme-font:major-fareast; |
---|
525 | mso-hansi-font-family:Cambria; |
---|
526 | mso-hansi-theme-font:major-latin; |
---|
527 | mso-bidi-font-family:"Times New Roman"; |
---|
528 | mso-bidi-theme-font:major-bidi; |
---|
529 | color:#17365D; |
---|
530 | mso-themecolor:text2; |
---|
531 | mso-themeshade:191; |
---|
532 | letter-spacing:.25pt; |
---|
533 | mso-font-kerning:14.0pt;} |
---|
534 | p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle |
---|
535 | {mso-style-noshow:yes; |
---|
536 | mso-style-priority:10; |
---|
537 | mso-style-unhide:no; |
---|
538 | mso-style-qformat:yes; |
---|
539 | mso-style-link:"Title Char"; |
---|
540 | mso-style-next:Normal; |
---|
541 | mso-style-type:export-only; |
---|
542 | margin:0in; |
---|
543 | margin-bottom:.0001pt; |
---|
544 | mso-add-space:auto; |
---|
545 | mso-pagination:widow-orphan; |
---|
546 | border:none; |
---|
547 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
---|
548 | mso-border-bottom-themecolor:accent1; |
---|
549 | padding:0in; |
---|
550 | mso-padding-alt:0in 0in 4.0pt 0in; |
---|
551 | font-size:26.0pt; |
---|
552 | font-family:"Cambria","serif"; |
---|
553 | mso-ascii-font-family:Cambria; |
---|
554 | mso-ascii-theme-font:major-latin; |
---|
555 | mso-fareast-font-family:"Times New Roman"; |
---|
556 | mso-fareast-theme-font:major-fareast; |
---|
557 | mso-hansi-font-family:Cambria; |
---|
558 | mso-hansi-theme-font:major-latin; |
---|
559 | mso-bidi-font-family:"Times New Roman"; |
---|
560 | mso-bidi-theme-font:major-bidi; |
---|
561 | color:#17365D; |
---|
562 | mso-themecolor:text2; |
---|
563 | mso-themeshade:191; |
---|
564 | letter-spacing:.25pt; |
---|
565 | mso-font-kerning:14.0pt;} |
---|
566 | p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast |
---|
567 | {mso-style-noshow:yes; |
---|
568 | mso-style-priority:10; |
---|
569 | mso-style-unhide:no; |
---|
570 | mso-style-qformat:yes; |
---|
571 | mso-style-link:"Title Char"; |
---|
572 | mso-style-next:Normal; |
---|
573 | mso-style-type:export-only; |
---|
574 | margin-top:0in; |
---|
575 | margin-right:0in; |
---|
576 | margin-bottom:15.0pt; |
---|
577 | margin-left:0in; |
---|
578 | mso-add-space:auto; |
---|
579 | mso-pagination:widow-orphan; |
---|
580 | border:none; |
---|
581 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
---|
582 | mso-border-bottom-themecolor:accent1; |
---|
583 | padding:0in; |
---|
584 | mso-padding-alt:0in 0in 4.0pt 0in; |
---|
585 | font-size:26.0pt; |
---|
586 | font-family:"Cambria","serif"; |
---|
587 | mso-ascii-font-family:Cambria; |
---|
588 | mso-ascii-theme-font:major-latin; |
---|
589 | mso-fareast-font-family:"Times New Roman"; |
---|
590 | mso-fareast-theme-font:major-fareast; |
---|
591 | mso-hansi-font-family:Cambria; |
---|
592 | mso-hansi-theme-font:major-latin; |
---|
593 | mso-bidi-font-family:"Times New Roman"; |
---|
594 | mso-bidi-theme-font:major-bidi; |
---|
595 | color:#17365D; |
---|
596 | mso-themecolor:text2; |
---|
597 | mso-themeshade:191; |
---|
598 | letter-spacing:.25pt; |
---|
599 | mso-font-kerning:14.0pt;} |
---|
600 | a:link, span.MsoHyperlink |
---|
601 | {mso-style-priority:99; |
---|
602 | color:blue; |
---|
603 | text-decoration:underline; |
---|
604 | text-underline:single;} |
---|
605 | a:visited, span.MsoHyperlinkFollowed |
---|
606 | {mso-style-noshow:yes; |
---|
607 | mso-style-priority:99; |
---|
608 | color:purple; |
---|
609 | text-decoration:underline; |
---|
610 | text-underline:single;} |
---|
611 | p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap |
---|
612 | {mso-style-noshow:yes; |
---|
613 | mso-style-priority:99; |
---|
614 | mso-style-link:"Document Map Char"; |
---|
615 | margin:0in; |
---|
616 | margin-bottom:.0001pt; |
---|
617 | mso-pagination:widow-orphan; |
---|
618 | font-size:8.0pt; |
---|
619 | font-family:"Tahoma","sans-serif"; |
---|
620 | mso-fareast-font-family:"Times New Roman"; |
---|
621 | mso-fareast-theme-font:minor-fareast;} |
---|
622 | p |
---|
623 | {mso-style-noshow:yes; |
---|
624 | mso-style-priority:99; |
---|
625 | mso-margin-top-alt:auto; |
---|
626 | margin-right:0in; |
---|
627 | mso-margin-bottom-alt:auto; |
---|
628 | margin-left:0in; |
---|
629 | mso-pagination:widow-orphan; |
---|
630 | font-size:12.0pt; |
---|
631 | font-family:"Times New Roman","serif"; |
---|
632 | mso-fareast-font-family:"Times New Roman"; |
---|
633 | mso-fareast-theme-font:minor-fareast;} |
---|
634 | pre |
---|
635 | {mso-style-noshow:yes; |
---|
636 | mso-style-priority:99; |
---|
637 | mso-style-link:"HTML Preformatted Char"; |
---|
638 | margin:0in; |
---|
639 | margin-bottom:.0001pt; |
---|
640 | mso-pagination:widow-orphan; |
---|
641 | 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; |
---|
642 | font-size:10.0pt; |
---|
643 | font-family:"Courier New"; |
---|
644 | mso-fareast-font-family:"Times New Roman";} |
---|
645 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
---|
646 | {mso-style-noshow:yes; |
---|
647 | mso-style-priority:99; |
---|
648 | mso-style-link:"Balloon Text Char"; |
---|
649 | margin:0in; |
---|
650 | margin-bottom:.0001pt; |
---|
651 | mso-pagination:widow-orphan; |
---|
652 | font-size:8.0pt; |
---|
653 | font-family:"Tahoma","sans-serif"; |
---|
654 | mso-fareast-font-family:"Times New Roman"; |
---|
655 | mso-fareast-theme-font:minor-fareast;} |
---|
656 | span.MsoPlaceholderText |
---|
657 | {mso-style-noshow:yes; |
---|
658 | mso-style-priority:99; |
---|
659 | mso-style-unhide:no; |
---|
660 | color:gray;} |
---|
661 | p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing |
---|
662 | {mso-style-noshow:yes; |
---|
663 | mso-style-priority:1; |
---|
664 | mso-style-unhide:no; |
---|
665 | mso-style-qformat:yes; |
---|
666 | mso-style-parent:""; |
---|
667 | margin:0in; |
---|
668 | margin-bottom:.0001pt; |
---|
669 | mso-pagination:widow-orphan; |
---|
670 | font-size:12.0pt; |
---|
671 | font-family:"Times New Roman","serif"; |
---|
672 | mso-fareast-font-family:"Times New Roman"; |
---|
673 | mso-fareast-theme-font:minor-fareast;} |
---|
674 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
---|
675 | {mso-style-noshow:yes; |
---|
676 | mso-style-priority:34; |
---|
677 | mso-style-unhide:no; |
---|
678 | mso-style-qformat:yes; |
---|
679 | margin-top:0in; |
---|
680 | margin-right:0in; |
---|
681 | margin-bottom:0in; |
---|
682 | margin-left:.5in; |
---|
683 | margin-bottom:.0001pt; |
---|
684 | mso-add-space:auto; |
---|
685 | mso-pagination:widow-orphan; |
---|
686 | font-size:12.0pt; |
---|
687 | font-family:"Times New Roman","serif"; |
---|
688 | mso-fareast-font-family:"Times New Roman"; |
---|
689 | mso-fareast-theme-font:minor-fareast;} |
---|
690 | p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
---|
691 | {mso-style-noshow:yes; |
---|
692 | mso-style-priority:34; |
---|
693 | mso-style-unhide:no; |
---|
694 | mso-style-qformat:yes; |
---|
695 | mso-style-type:export-only; |
---|
696 | margin-top:0in; |
---|
697 | margin-right:0in; |
---|
698 | margin-bottom:0in; |
---|
699 | margin-left:.5in; |
---|
700 | margin-bottom:.0001pt; |
---|
701 | mso-add-space:auto; |
---|
702 | mso-pagination:widow-orphan; |
---|
703 | font-size:12.0pt; |
---|
704 | font-family:"Times New Roman","serif"; |
---|
705 | mso-fareast-font-family:"Times New Roman"; |
---|
706 | mso-fareast-theme-font:minor-fareast;} |
---|
707 | p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
---|
708 | {mso-style-noshow:yes; |
---|
709 | mso-style-priority:34; |
---|
710 | mso-style-unhide:no; |
---|
711 | mso-style-qformat:yes; |
---|
712 | mso-style-type:export-only; |
---|
713 | margin-top:0in; |
---|
714 | margin-right:0in; |
---|
715 | margin-bottom:0in; |
---|
716 | margin-left:.5in; |
---|
717 | margin-bottom:.0001pt; |
---|
718 | mso-add-space:auto; |
---|
719 | mso-pagination:widow-orphan; |
---|
720 | font-size:12.0pt; |
---|
721 | font-family:"Times New Roman","serif"; |
---|
722 | mso-fareast-font-family:"Times New Roman"; |
---|
723 | mso-fareast-theme-font:minor-fareast;} |
---|
724 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
---|
725 | {mso-style-noshow:yes; |
---|
726 | mso-style-priority:34; |
---|
727 | mso-style-unhide:no; |
---|
728 | mso-style-qformat:yes; |
---|
729 | mso-style-type:export-only; |
---|
730 | margin-top:0in; |
---|
731 | margin-right:0in; |
---|
732 | margin-bottom:0in; |
---|
733 | margin-left:.5in; |
---|
734 | margin-bottom:.0001pt; |
---|
735 | mso-add-space:auto; |
---|
736 | mso-pagination:widow-orphan; |
---|
737 | font-size:12.0pt; |
---|
738 | font-family:"Times New Roman","serif"; |
---|
739 | mso-fareast-font-family:"Times New Roman"; |
---|
740 | mso-fareast-theme-font:minor-fareast;} |
---|
741 | span.MsoIntenseReference |
---|
742 | {mso-style-priority:32; |
---|
743 | mso-style-unhide:no; |
---|
744 | mso-style-qformat:yes; |
---|
745 | font-variant:small-caps; |
---|
746 | color:#C0504D; |
---|
747 | mso-themecolor:accent2; |
---|
748 | letter-spacing:.25pt; |
---|
749 | font-weight:bold; |
---|
750 | text-decoration:underline; |
---|
751 | text-underline:single;} |
---|
752 | span.Heading1Char |
---|
753 | {mso-style-name:"Heading 1 Char"; |
---|
754 | mso-style-priority:9; |
---|
755 | mso-style-unhide:no; |
---|
756 | mso-style-locked:yes; |
---|
757 | mso-style-link:"Heading 1"; |
---|
758 | mso-ansi-font-size:24.0pt; |
---|
759 | mso-bidi-font-size:24.0pt; |
---|
760 | font-family:"Times New Roman","serif"; |
---|
761 | mso-ascii-font-family:"Times New Roman"; |
---|
762 | mso-fareast-font-family:"Times New Roman"; |
---|
763 | mso-fareast-theme-font:minor-fareast; |
---|
764 | mso-hansi-font-family:"Times New Roman"; |
---|
765 | mso-bidi-font-family:"Times New Roman"; |
---|
766 | mso-font-kerning:18.0pt; |
---|
767 | font-weight:bold;} |
---|
768 | span.Heading2Char |
---|
769 | {mso-style-name:"Heading 2 Char"; |
---|
770 | mso-style-noshow:yes; |
---|
771 | mso-style-priority:9; |
---|
772 | mso-style-unhide:no; |
---|
773 | mso-style-locked:yes; |
---|
774 | mso-style-link:"Heading 2"; |
---|
775 | mso-ansi-font-size:18.0pt; |
---|
776 | mso-bidi-font-size:18.0pt; |
---|
777 | font-family:"Times New Roman","serif"; |
---|
778 | mso-ascii-font-family:"Times New Roman"; |
---|
779 | mso-fareast-font-family:"Times New Roman"; |
---|
780 | mso-fareast-theme-font:minor-fareast; |
---|
781 | mso-hansi-font-family:"Times New Roman"; |
---|
782 | mso-bidi-font-family:"Times New Roman"; |
---|
783 | font-weight:bold;} |
---|
784 | span.Heading3Char |
---|
785 | {mso-style-name:"Heading 3 Char"; |
---|
786 | mso-style-noshow:yes; |
---|
787 | mso-style-priority:9; |
---|
788 | mso-style-unhide:no; |
---|
789 | mso-style-locked:yes; |
---|
790 | mso-style-link:"Heading 3"; |
---|
791 | mso-ansi-font-size:13.5pt; |
---|
792 | mso-bidi-font-size:13.5pt; |
---|
793 | font-family:"Times New Roman","serif"; |
---|
794 | mso-ascii-font-family:"Times New Roman"; |
---|
795 | mso-fareast-font-family:"Times New Roman"; |
---|
796 | mso-fareast-theme-font:minor-fareast; |
---|
797 | mso-hansi-font-family:"Times New Roman"; |
---|
798 | mso-bidi-font-family:"Times New Roman"; |
---|
799 | font-weight:bold;} |
---|
800 | span.Heading4Char |
---|
801 | {mso-style-name:"Heading 4 Char"; |
---|
802 | mso-style-noshow:yes; |
---|
803 | mso-style-priority:9; |
---|
804 | mso-style-unhide:no; |
---|
805 | mso-style-locked:yes; |
---|
806 | mso-style-link:"Heading 4"; |
---|
807 | mso-ansi-font-size:13.0pt; |
---|
808 | mso-bidi-font-size:13.0pt; |
---|
809 | font-family:"Cambria","serif"; |
---|
810 | mso-ascii-font-family:Cambria; |
---|
811 | mso-ascii-theme-font:major-latin; |
---|
812 | mso-fareast-font-family:"Times New Roman"; |
---|
813 | mso-fareast-theme-font:major-fareast; |
---|
814 | mso-hansi-font-family:Cambria; |
---|
815 | mso-hansi-theme-font:major-latin; |
---|
816 | mso-bidi-font-family:"Times New Roman"; |
---|
817 | mso-bidi-theme-font:major-bidi; |
---|
818 | color:#4F81BD; |
---|
819 | mso-themecolor:accent1; |
---|
820 | font-weight:bold; |
---|
821 | font-style:italic;} |
---|
822 | span.Heading5Char |
---|
823 | {mso-style-name:"Heading 5 Char"; |
---|
824 | mso-style-noshow:yes; |
---|
825 | mso-style-priority:9; |
---|
826 | mso-style-unhide:no; |
---|
827 | mso-style-locked:yes; |
---|
828 | mso-style-link:"Heading 5"; |
---|
829 | mso-ansi-font-size:12.0pt; |
---|
830 | mso-bidi-font-size:12.0pt; |
---|
831 | font-family:"Times New Roman","serif"; |
---|
832 | mso-ascii-font-family:"Times New Roman"; |
---|
833 | mso-fareast-font-family:"Times New Roman"; |
---|
834 | mso-fareast-theme-font:minor-fareast; |
---|
835 | mso-hansi-font-family:"Times New Roman"; |
---|
836 | mso-bidi-font-family:"Times New Roman"; |
---|
837 | color:#4F4FFF; |
---|
838 | font-weight:bold;} |
---|
839 | span.HTMLPreformattedChar |
---|
840 | {mso-style-name:"HTML Preformatted Char"; |
---|
841 | mso-style-noshow:yes; |
---|
842 | mso-style-priority:99; |
---|
843 | mso-style-unhide:no; |
---|
844 | mso-style-locked:yes; |
---|
845 | mso-style-link:"HTML Preformatted"; |
---|
846 | font-family:"Courier New"; |
---|
847 | mso-ascii-font-family:"Courier New"; |
---|
848 | mso-fareast-font-family:"Times New Roman"; |
---|
849 | mso-hansi-font-family:"Courier New"; |
---|
850 | mso-bidi-font-family:"Courier New";} |
---|
851 | span.TitleChar |
---|
852 | {mso-style-name:"Title Char"; |
---|
853 | mso-style-priority:10; |
---|
854 | mso-style-unhide:no; |
---|
855 | mso-style-locked:yes; |
---|
856 | mso-style-link:Title; |
---|
857 | mso-ansi-font-size:26.0pt; |
---|
858 | mso-bidi-font-size:26.0pt; |
---|
859 | font-family:"Cambria","serif"; |
---|
860 | mso-ascii-font-family:Cambria; |
---|
861 | mso-ascii-theme-font:major-latin; |
---|
862 | mso-fareast-font-family:"Times New Roman"; |
---|
863 | mso-fareast-theme-font:major-fareast; |
---|
864 | mso-hansi-font-family:Cambria; |
---|
865 | mso-hansi-theme-font:major-latin; |
---|
866 | mso-bidi-font-family:"Times New Roman"; |
---|
867 | mso-bidi-theme-font:major-bidi; |
---|
868 | color:#17365D; |
---|
869 | mso-themecolor:text2; |
---|
870 | mso-themeshade:191; |
---|
871 | letter-spacing:.25pt; |
---|
872 | mso-font-kerning:14.0pt;} |
---|
873 | span.DocumentMapChar |
---|
874 | {mso-style-name:"Document Map Char"; |
---|
875 | mso-style-noshow:yes; |
---|
876 | mso-style-priority:99; |
---|
877 | mso-style-unhide:no; |
---|
878 | mso-style-locked:yes; |
---|
879 | mso-style-link:"Document Map"; |
---|
880 | mso-ansi-font-size:8.0pt; |
---|
881 | mso-bidi-font-size:8.0pt; |
---|
882 | font-family:"Tahoma","sans-serif"; |
---|
883 | mso-ascii-font-family:Tahoma; |
---|
884 | mso-fareast-font-family:"Times New Roman"; |
---|
885 | mso-fareast-theme-font:minor-fareast; |
---|
886 | mso-hansi-font-family:Tahoma; |
---|
887 | mso-bidi-font-family:Tahoma;} |
---|
888 | span.BalloonTextChar |
---|
889 | {mso-style-name:"Balloon Text Char"; |
---|
890 | mso-style-noshow:yes; |
---|
891 | mso-style-priority:99; |
---|
892 | mso-style-unhide:no; |
---|
893 | mso-style-locked:yes; |
---|
894 | mso-style-link:"Balloon Text"; |
---|
895 | mso-ansi-font-size:8.0pt; |
---|
896 | mso-bidi-font-size:8.0pt; |
---|
897 | font-family:"Tahoma","sans-serif"; |
---|
898 | mso-ascii-font-family:Tahoma; |
---|
899 | mso-fareast-font-family:"Times New Roman"; |
---|
900 | mso-fareast-theme-font:minor-fareast; |
---|
901 | mso-hansi-font-family:Tahoma; |
---|
902 | mso-bidi-font-family:Tahoma;} |
---|
903 | span.SpellE |
---|
904 | {mso-style-name:""; |
---|
905 | mso-spl-e:yes;} |
---|
906 | span.GramE |
---|
907 | {mso-style-name:""; |
---|
908 | mso-gram-e:yes;} |
---|
909 | .MsoChpDefault |
---|
910 | {mso-style-type:export-only; |
---|
911 | mso-default-props:yes; |
---|
912 | font-size:10.0pt; |
---|
913 | mso-ansi-font-size:10.0pt; |
---|
914 | mso-bidi-font-size:10.0pt; |
---|
915 | font-family:"Calibri","sans-serif"; |
---|
916 | mso-ascii-font-family:Calibri; |
---|
917 | mso-ascii-theme-font:minor-latin; |
---|
918 | mso-fareast-font-family:Calibri; |
---|
919 | mso-fareast-theme-font:minor-latin; |
---|
920 | mso-hansi-font-family:Calibri; |
---|
921 | mso-hansi-theme-font:minor-latin; |
---|
922 | mso-bidi-font-family:"Times New Roman"; |
---|
923 | mso-bidi-theme-font:minor-bidi;} |
---|
924 | @page WordSection1 |
---|
925 | {size:8.5in 11.0in; |
---|
926 | margin:1.0in 1.0in 1.0in 1.0in; |
---|
927 | mso-header-margin:.5in; |
---|
928 | mso-footer-margin:.5in; |
---|
929 | mso-paper-source:0;} |
---|
930 | div.WordSection1 |
---|
931 | {page:WordSection1;} |
---|
932 | /* List Definitions */ |
---|
933 | @list l0 |
---|
934 | {mso-list-id:608973138; |
---|
935 | mso-list-type:hybrid; |
---|
936 | mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
---|
937 | @list l0:level1 |
---|
938 | {mso-level-tab-stop:none; |
---|
939 | mso-level-number-position:left; |
---|
940 | text-indent:-.25in;} |
---|
941 | @list l0:level2 |
---|
942 | {mso-level-number-format:alpha-lower; |
---|
943 | mso-level-tab-stop:none; |
---|
944 | mso-level-number-position:left; |
---|
945 | text-indent:-.25in;} |
---|
946 | @list l0:level3 |
---|
947 | {mso-level-number-format:roman-lower; |
---|
948 | mso-level-tab-stop:none; |
---|
949 | mso-level-number-position:right; |
---|
950 | text-indent:-9.0pt;} |
---|
951 | @list l0:level4 |
---|
952 | {mso-level-tab-stop:none; |
---|
953 | mso-level-number-position:left; |
---|
954 | text-indent:-.25in;} |
---|
955 | @list l0:level5 |
---|
956 | {mso-level-number-format:alpha-lower; |
---|
957 | mso-level-tab-stop:none; |
---|
958 | mso-level-number-position:left; |
---|
959 | text-indent:-.25in;} |
---|
960 | @list l0:level6 |
---|
961 | {mso-level-number-format:roman-lower; |
---|
962 | mso-level-tab-stop:none; |
---|
963 | mso-level-number-position:right; |
---|
964 | text-indent:-9.0pt;} |
---|
965 | @list l0:level7 |
---|
966 | {mso-level-tab-stop:none; |
---|
967 | mso-level-number-position:left; |
---|
968 | text-indent:-.25in;} |
---|
969 | @list l0:level8 |
---|
970 | {mso-level-number-format:alpha-lower; |
---|
971 | mso-level-tab-stop:none; |
---|
972 | mso-level-number-position:left; |
---|
973 | text-indent:-.25in;} |
---|
974 | @list l0:level9 |
---|
975 | {mso-level-number-format:roman-lower; |
---|
976 | mso-level-tab-stop:none; |
---|
977 | mso-level-number-position:right; |
---|
978 | text-indent:-9.0pt;} |
---|
979 | @list l1 |
---|
980 | {mso-list-id:894583186; |
---|
981 | mso-list-type:hybrid; |
---|
982 | mso-list-template-ids:1821937756 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
---|
983 | @list l1:level1 |
---|
984 | {mso-level-tab-stop:none; |
---|
985 | mso-level-number-position:left; |
---|
986 | margin-left:39.0pt; |
---|
987 | text-indent:-.25in;} |
---|
988 | @list l1:level2 |
---|
989 | {mso-level-number-format:alpha-lower; |
---|
990 | mso-level-tab-stop:none; |
---|
991 | mso-level-number-position:left; |
---|
992 | margin-left:75.0pt; |
---|
993 | text-indent:-.25in;} |
---|
994 | @list l1:level3 |
---|
995 | {mso-level-number-format:roman-lower; |
---|
996 | mso-level-tab-stop:none; |
---|
997 | mso-level-number-position:right; |
---|
998 | margin-left:111.0pt; |
---|
999 | text-indent:-9.0pt;} |
---|
1000 | @list l1:level4 |
---|
1001 | {mso-level-tab-stop:none; |
---|
1002 | mso-level-number-position:left; |
---|
1003 | margin-left:147.0pt; |
---|
1004 | text-indent:-.25in;} |
---|
1005 | @list l1:level5 |
---|
1006 | {mso-level-number-format:alpha-lower; |
---|
1007 | mso-level-tab-stop:none; |
---|
1008 | mso-level-number-position:left; |
---|
1009 | margin-left:183.0pt; |
---|
1010 | text-indent:-.25in;} |
---|
1011 | @list l1:level6 |
---|
1012 | {mso-level-number-format:roman-lower; |
---|
1013 | mso-level-tab-stop:none; |
---|
1014 | mso-level-number-position:right; |
---|
1015 | margin-left:219.0pt; |
---|
1016 | text-indent:-9.0pt;} |
---|
1017 | @list l1:level7 |
---|
1018 | {mso-level-tab-stop:none; |
---|
1019 | mso-level-number-position:left; |
---|
1020 | margin-left:255.0pt; |
---|
1021 | text-indent:-.25in;} |
---|
1022 | @list l1:level8 |
---|
1023 | {mso-level-number-format:alpha-lower; |
---|
1024 | mso-level-tab-stop:none; |
---|
1025 | mso-level-number-position:left; |
---|
1026 | margin-left:291.0pt; |
---|
1027 | text-indent:-.25in;} |
---|
1028 | @list l1:level9 |
---|
1029 | {mso-level-number-format:roman-lower; |
---|
1030 | mso-level-tab-stop:none; |
---|
1031 | mso-level-number-position:right; |
---|
1032 | margin-left:327.0pt; |
---|
1033 | text-indent:-9.0pt;} |
---|
1034 | @list l2 |
---|
1035 | {mso-list-id:983856491; |
---|
1036 | mso-list-type:hybrid; |
---|
1037 | mso-list-template-ids:-44896332 67698703 67698713 461011134 67698703 67698713 67698715 67698703 67698713 67698715;} |
---|
1038 | @list l2:level1 |
---|
1039 | {mso-level-tab-stop:none; |
---|
1040 | mso-level-number-position:left; |
---|
1041 | text-indent:-.25in;} |
---|
1042 | @list l2:level2 |
---|
1043 | {mso-level-number-format:alpha-lower; |
---|
1044 | mso-level-tab-stop:none; |
---|
1045 | mso-level-number-position:left; |
---|
1046 | text-indent:-.25in;} |
---|
1047 | @list l2:level3 |
---|
1048 | {mso-level-start-at:0; |
---|
1049 | mso-level-number-format:bullet; |
---|
1050 | mso-level-text:\F0B7; |
---|
1051 | mso-level-tab-stop:none; |
---|
1052 | mso-level-number-position:left; |
---|
1053 | margin-left:117.0pt; |
---|
1054 | text-indent:-.25in; |
---|
1055 | font-family:Symbol; |
---|
1056 | mso-fareast-font-family:"Times New Roman"; |
---|
1057 | mso-fareast-theme-font:minor-fareast; |
---|
1058 | mso-bidi-font-family:"Times New Roman";} |
---|
1059 | @list l2:level4 |
---|
1060 | {mso-level-tab-stop:none; |
---|
1061 | mso-level-number-position:left; |
---|
1062 | text-indent:-.25in;} |
---|
1063 | @list l2:level5 |
---|
1064 | {mso-level-number-format:alpha-lower; |
---|
1065 | mso-level-tab-stop:none; |
---|
1066 | mso-level-number-position:left; |
---|
1067 | text-indent:-.25in;} |
---|
1068 | @list l2:level6 |
---|
1069 | {mso-level-number-format:roman-lower; |
---|
1070 | mso-level-tab-stop:none; |
---|
1071 | mso-level-number-position:right; |
---|
1072 | text-indent:-9.0pt;} |
---|
1073 | @list l2:level7 |
---|
1074 | {mso-level-tab-stop:none; |
---|
1075 | mso-level-number-position:left; |
---|
1076 | text-indent:-.25in;} |
---|
1077 | @list l2:level8 |
---|
1078 | {mso-level-number-format:alpha-lower; |
---|
1079 | mso-level-tab-stop:none; |
---|
1080 | mso-level-number-position:left; |
---|
1081 | text-indent:-.25in;} |
---|
1082 | @list l2:level9 |
---|
1083 | {mso-level-number-format:roman-lower; |
---|
1084 | mso-level-tab-stop:none; |
---|
1085 | mso-level-number-position:right; |
---|
1086 | text-indent:-9.0pt;} |
---|
1087 | ol |
---|
1088 | {margin-bottom:0in;} |
---|
1089 | ul |
---|
1090 | {margin-bottom:0in;} |
---|
1091 | --> |
---|
1092 | </style> |
---|
1093 | <!--[if gte mso 10]> |
---|
1094 | <style> |
---|
1095 | /* Style Definitions */ |
---|
1096 | table.MsoNormalTable |
---|
1097 | {mso-style-name:"Table Normal"; |
---|
1098 | mso-tstyle-rowband-size:0; |
---|
1099 | mso-tstyle-colband-size:0; |
---|
1100 | mso-style-noshow:yes; |
---|
1101 | mso-style-priority:99; |
---|
1102 | mso-style-parent:""; |
---|
1103 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
---|
1104 | mso-para-margin:0in; |
---|
1105 | mso-para-margin-bottom:.0001pt; |
---|
1106 | mso-pagination:widow-orphan; |
---|
1107 | font-size:10.0pt; |
---|
1108 | font-family:"Calibri","sans-serif"; |
---|
1109 | mso-ascii-font-family:Calibri; |
---|
1110 | mso-ascii-theme-font:minor-latin; |
---|
1111 | mso-hansi-font-family:Calibri; |
---|
1112 | mso-hansi-theme-font:minor-latin; |
---|
1113 | mso-bidi-font-family:"Times New Roman"; |
---|
1114 | mso-bidi-theme-font:minor-bidi;} |
---|
1115 | </style> |
---|
1116 | <![endif]--><!--[if gte mso 9]><xml> |
---|
1117 | <o:shapedefaults v:ext="edit" spidmax="1027"/> |
---|
1118 | </xml><![endif]--><!--[if gte mso 9]><xml> |
---|
1119 | <o:shapelayout v:ext="edit"> |
---|
1120 | <o:idmap v:ext="edit" data="1"/> |
---|
1121 | </o:shapelayout></xml><![endif]--> |
---|
1122 | </head> |
---|
1123 | |
---|
1124 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
---|
1125 | |
---|
1126 | <div class=WordSection1> |
---|
1127 | |
---|
1128 | <h1>Fit Peaks/<span class=SpellE>Autoindexing</span> in GSAS-II </h1> |
---|
1129 | |
---|
1130 | <p class=MsoNormal>In this exercise you will use GSAS-II to search for a unit |
---|
1131 | cell that matches a set of diffraction peaks -- a process known as |
---|
1132 | auto-indexing. First peaks must be located and optimized and then indexing can |
---|
1133 | be done.</p> |
---|
1134 | |
---|
1135 | <p class=MsoNormal>If you have not done so already, <a |
---|
1136 | href="Starting%20GSAS.htm">start GSAS-II</a>.</p> |
---|
1137 | |
---|
1138 | <h2>Step 1: read in the data file</h2> |
---|
1139 | |
---|
1140 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
---|
1141 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
---|
1142 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use |
---|
1143 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1144 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1145 | minor-latin'>Import/Powder Data/from GSAS file</span></b> menu item to read the |
---|
1146 | data file into the current GSAS-II project. This read option is set to read any |
---|
1147 | of the powder data formats (except neutron TOF time map files) defined for GSAS |
---|
1148 | (angles in <span class=SpellE>centidegrees</span>). Other submenu items will |
---|
1149 | read the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1150 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1151 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span> |
---|
1152 | format or the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1153 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1154 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span> |
---|
1155 | format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span |
---|
1156 | style='mso-spacerun:yes'> </span>Change the file directory to <b |
---|
1157 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1158 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1159 | minor-latin'>Exercises/LaB6</span></b><span style='font-family:"Calibri","sans-serif"; |
---|
1160 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1161 | minor-latin'> to find the file; you may need to change the file type to <b |
---|
1162 | style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find the desired |
---|
1163 | file.</span></p> |
---|
1164 | |
---|
1165 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
---|
1166 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
---|
1167 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
---|
1168 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1169 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1170 | minor-latin'>11bmb_3844.fxye</span></b><span style='font-family:"Calibri","sans-serif"; |
---|
1171 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1172 | minor-latin'> data</span> file in the first dialog and press <b |
---|
1173 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1174 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1175 | minor-latin'>Open</span></b>. There will be a Dialog box asking <span |
---|
1176 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1177 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1178 | minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b |
---|
1179 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1180 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1181 | minor-latin'> this the file you want?</span></b> Press <span class=GramE><b |
---|
1182 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1183 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1184 | minor-latin'>Yes</span></b></span> button to proceed.</p> |
---|
1185 | |
---|
1186 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
---|
1187 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
---|
1188 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>The |
---|
1189 | file <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1190 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1191 | minor-latin'>11bmb_3844.prm</span></b> instrument parameter file is |
---|
1192 | automatically selected; it was produced by 11BM-B instrument processing |
---|
1193 | software when the corresponding <span class=SpellE><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;mso-bidi-theme-font:minor-latin'>fxye</span></b></span> |
---|
1196 | file was created from the 12 detector raw data. If absent or the name doesnt |
---|
1197 | match the data file name, a file dialog will appear for you to select the |
---|
1198 | correct instrument parameter file.</p> |
---|
1199 | |
---|
1200 | <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span |
---|
1201 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1202 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data |
---|
1203 | tree</span></b> window will have several entries </p> |
---|
1204 | |
---|
1205 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype |
---|
1206 | id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t" |
---|
1207 | path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f"> |
---|
1208 | <v:stroke joinstyle="miter"/> |
---|
1209 | <v:formulas> |
---|
1210 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
---|
1211 | <v:f eqn="sum @0 1 0"/> |
---|
1212 | <v:f eqn="sum 0 0 @1"/> |
---|
1213 | <v:f eqn="prod @2 1 2"/> |
---|
1214 | <v:f eqn="prod @3 21600 pixelWidth"/> |
---|
1215 | <v:f eqn="prod @3 21600 pixelHeight"/> |
---|
1216 | <v:f eqn="sum @0 0 1"/> |
---|
1217 | <v:f eqn="prod @6 1 2"/> |
---|
1218 | <v:f eqn="prod @7 21600 pixelWidth"/> |
---|
1219 | <v:f eqn="sum @8 21600 0"/> |
---|
1220 | <v:f eqn="prod @7 21600 pixelHeight"/> |
---|
1221 | <v:f eqn="sum @10 21600 0"/> |
---|
1222 | </v:formulas> |
---|
1223 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
---|
1224 | <o:lock v:ext="edit" aspectratio="t"/> |
---|
1225 | </v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1046" type="#_x0000_t75" |
---|
1226 | style='width:225pt;height:187.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1227 | <v:imagedata src="Fit%20Peaks_files/image001.png" o:title=""/> |
---|
1228 | </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=250 |
---|
1229 | src="Fit%20Peaks_files/image001.png" v:shapes="Picture_x0020_1"><![endif]></span></p> |
---|
1230 | |
---|
1231 | <p class=MsoNormal><span class=GramE>and</span> the plot window will show the |
---|
1232 | powder pattern</p> |
---|
1233 | |
---|
1234 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1235 | id="Picture_x0020_2" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt; |
---|
1236 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1237 | <v:imagedata src="Fit%20Peaks_files/image002.png" o:title=""/> |
---|
1238 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1239 | src="Fit%20Peaks_files/image002.png" v:shapes="Picture_x0020_2"><![endif]></span></p> |
---|
1240 | |
---|
1241 | <h2>Step 2: Select Limits </h2> |
---|
1242 | |
---|
1243 | <p class=MsoNormal><span style='mso-spacerun:yes'> </span>This pattern has much |
---|
1244 | more data than we need, so it is helpful to cut down the range. Click on the <b |
---|
1245 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1246 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1247 | minor-latin'>Limits</span></b> item in the <b style='mso-bidi-font-weight:normal'><span |
---|
1248 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1249 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data |
---|
1250 | tree</span></b>. The small window is repainted. Use the <b style='mso-bidi-font-weight: |
---|
1251 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1252 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>changed</span></b> |
---|
1253 | row of entry boxes to set <span class=SpellE><b style='mso-bidi-font-weight: |
---|
1254 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1255 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmin</span></b></span> |
---|
1256 | and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1257 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1258 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Tmax</span></b></span> |
---|
1259 | to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1260 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1261 | minor-latin'>4</span></b> and <b style='mso-bidi-font-weight:normal'><span |
---|
1262 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1263 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>27.5</span></b>. |
---|
1264 | Notice on the plot that the limit lines have moved to these positions; the |
---|
1265 | green lower limit is just below the 1<sup>st</sup> peak and the red upper limit |
---|
1266 | is in a wide gap between peaks. You may also drag the limit lines to the |
---|
1267 | desired location or place them by a left mouse click on a data point for the |
---|
1268 | lower limit or a right click on a data point for the upper limit.</p> |
---|
1269 | |
---|
1270 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1271 | id="Picture_x0020_3" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:225pt; |
---|
1272 | height:120pt;visibility:visible;mso-wrap-style:square'> |
---|
1273 | <v:imagedata src="Fit%20Peaks_files/image003.png" o:title=""/> |
---|
1274 | </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=160 |
---|
1275 | src="Fit%20Peaks_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p> |
---|
1276 | |
---|
1277 | <h2>Step 3: Determine Peak Positions</h2> |
---|
1278 | |
---|
1279 | <p class=MsoListParagraphCxSpFirst style='margin-left:39.0pt;mso-add-space: |
---|
1280 | auto;text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
---|
1281 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
---|
1282 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Click |
---|
1283 | on the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1284 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1285 | minor-latin'>Peak List</span></b> item in the <b style='mso-bidi-font-weight: |
---|
1286 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1287 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II |
---|
1288 | data tree</span></b>. This creates an empty window of peak positions (the <b |
---|
1289 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1290 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1291 | minor-latin'>Limits</span></b> window is erased). At this point it is wise <span |
---|
1292 | class=GramE>to<span style='mso-spacerun:yes'> </span>zoom</span> in on the |
---|
1293 | data that will be used for indexing. </p> |
---|
1294 | |
---|
1295 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1296 | auto;text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
---|
1297 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
---|
1298 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Click |
---|
1299 | on the Zoom button, <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1300 | id="Picture_x0020_4" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:21.75pt; |
---|
1301 | height:18.75pt;visibility:visible;mso-wrap-style:square'> |
---|
1302 | <v:imagedata src="Fit%20Peaks_files/image004.jpg" o:title="" croptop="1f" |
---|
1303 | cropbottom="-1f" cropleft="35827f" cropright="19224f"/> |
---|
1304 | </v:shape><![endif]--><![if !vml]><img border=0 width=29 height=25 |
---|
1305 | src="Fit%20Peaks_files/image005.jpg" v:shapes="Picture_x0020_4"><![endif]></span>, |
---|
1306 | then press the left mouse in one corner of the region to be used; holding the |
---|
1307 | mouse button down, drag over the region to the opposite corner; a box will be |
---|
1308 | drawn over the region to be zoomed. </p> |
---|
1309 | |
---|
1310 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1311 | auto;text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
---|
1312 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
---|
1313 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
---|
1314 | style='mso-bidi-font-weight:normal'>Important</b>: Click on the Zoom <span |
---|
1315 | style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" |
---|
1316 | o:spid="_x0000_i1042" type="#_x0000_t75" style='width:23.25pt;height:20.25pt; |
---|
1317 | visibility:visible;mso-wrap-style:square'> |
---|
1318 | <v:imagedata src="Fit%20Peaks_files/image004.jpg" o:title="" croptop="1f" |
---|
1319 | cropbottom="-1f" cropleft="35827f" cropright="19224f"/> |
---|
1320 | </v:shape><![endif]--><![if !vml]><img border=0 width=31 height=27 |
---|
1321 | src="Fit%20Peaks_files/image006.jpg" v:shapes="Picture_x0020_5"><![endif]></span><span |
---|
1322 | style='mso-spacerun:yes'> </span>button again to turn off the zoom mode. </p> |
---|
1323 | |
---|
1324 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1325 | auto;text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
---|
1326 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
---|
1327 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Using |
---|
1328 | the left mouse button, click on a data point near the top of each peak to be |
---|
1329 | added to the peak list. It is usually best to start at the upper end of the |
---|
1330 | pattern as the next peak to pick isnt obscured by the tool tip. As this is |
---|
1331 | done, a vertical blue line is drawn in the plot window<span |
---|
1332 | style='mso-spacerun:yes'> </span>for each peak selected</p> |
---|
1333 | |
---|
1334 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1335 | auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6" |
---|
1336 | o:spid="_x0000_i1041" type="#_x0000_t75" style='width:525pt;height:450pt; |
---|
1337 | visibility:visible;mso-wrap-style:square'> |
---|
1338 | <v:imagedata src="Fit%20Peaks_files/image007.png" o:title=""/> |
---|
1339 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1340 | src="Fit%20Peaks_files/image007.png" v:shapes="Picture_x0020_6"><![endif]></span></p> |
---|
1341 | |
---|
1342 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1343 | auto'><span class=GramE>and</span> peaks are added to the <b style='mso-bidi-font-weight: |
---|
1344 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1345 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak |
---|
1346 | List</span></b> window in order of increasing 2<span style='font-family:Symbol'>Q</span>.</p> |
---|
1347 | |
---|
1348 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1349 | auto'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" |
---|
1350 | o:spid="_x0000_i1040" type="#_x0000_t75" style='width:401.25pt;height:262.5pt; |
---|
1351 | visibility:visible;mso-wrap-style:square'> |
---|
1352 | <v:imagedata src="Fit%20Peaks_files/image008.png" o:title=""/> |
---|
1353 | </v:shape><![endif]--><![if !vml]><img border=0 width=535 height=350 |
---|
1354 | src="Fit%20Peaks_files/image008.png" v:shapes="Picture_x0020_7"><![endif]></span></p> |
---|
1355 | |
---|
1356 | <p class=MsoListParagraphCxSpMiddle style='margin-left:39.0pt;mso-add-space: |
---|
1357 | auto'>Note that if peaks are not being added, you probably have not exited zoom |
---|
1358 | mode.</p> |
---|
1359 | |
---|
1360 | <p class=MsoListParagraphCxSpLast style='margin-left:39.0pt;mso-add-space:auto'>Add |
---|
1361 | approximately 20-25 peaks total to the peak list (there will be 20 in this |
---|
1362 | example). Be sure to add the lowest angle peaks that are visible in the plot. |
---|
1363 | You may drag a peak position as needed; be sure the zoom/shift buttons are off. |
---|
1364 | A position may be deleted with a right click with the mouse on the blue line.</p> |
---|
1365 | |
---|
1366 | <h2>Step 4: Refine Peak Positions</h2> |
---|
1367 | |
---|
1368 | <p class=MsoNormal>This refinement proceeds stepwise; first doing the default |
---|
1369 | refinement and then adding <span class=GramE>a parameters</span> to complete |
---|
1370 | the fitting,</p> |
---|
1371 | |
---|
1372 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span |
---|
1373 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
---|
1374 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Refine |
---|
1375 | the peak intensities and the background. These parameters have their refinement |
---|
1376 | flags turned on by default. Use the menu item <b style='mso-bidi-font-weight: |
---|
1377 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1378 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak |
---|
1379 | Fitting/LSQ <span class=SpellE>PeakFit</span> </span></b>on the<b |
---|
1380 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1381 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1382 | minor-latin'> Peak List </span></b>window. Do <b style='mso-bidi-font-weight: |
---|
1383 | normal'>NOT</b> use the <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;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> |
---|
1386 | menu item in the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1387 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1388 | minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> |
---|
1389 | window; that it to be used for Rietveld/Pawley refinements. You will be asked |
---|
1390 | to save the current project before the fit will proceed; change directory if |
---|
1391 | desired and provide a suitable name (we assume <b style='mso-bidi-font-weight: |
---|
1392 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1393 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>LaB6</span></b>). |
---|
1394 | A window will show the progress of the refinement and will close when the |
---|
1395 | least-squares fit <span class=GramE>is</span> complete (usually very fast). The |
---|
1396 | plot is updated with the fit, the peak list window is updated with the new peak |
---|
1397 | values and a summary of the refinement is shown on the console window as well.</p> |
---|
1398 | |
---|
1399 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1400 | id="Picture_x0020_8" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:525pt; |
---|
1401 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1402 | <v:imagedata src="Fit%20Peaks_files/image009.png" o:title=""/> |
---|
1403 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1404 | src="Fit%20Peaks_files/image009.png" v:shapes="Picture_x0020_8"><![endif]></span></p> |
---|
1405 | |
---|
1406 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1407 | id="Picture_x0020_9" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:401.25pt; |
---|
1408 | height:262.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1409 | <v:imagedata src="Fit%20Peaks_files/image010.png" o:title=""/> |
---|
1410 | </v:shape><![endif]--><![if !vml]><img border=0 width=535 height=350 |
---|
1411 | src="Fit%20Peaks_files/image010.png" v:shapes="Picture_x0020_9"><![endif]></span></p> |
---|
1412 | |
---|
1413 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span |
---|
1414 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
---|
1415 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Now |
---|
1416 | add refinement of the peak positions. This can be done by clicking on all the |
---|
1417 | refinement flags for the individual peaks or it is possible to set them all at |
---|
1418 | the same time using this recipe: </p> |
---|
1419 | |
---|
1420 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
---|
1421 | auto;text-indent:-.25in;mso-list:l2 level2 lfo6'><![if !supportLists]><span |
---|
1422 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
---|
1423 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
---|
1424 | class=GramE>single-click</span> on any value in the table to select it, for |
---|
1425 | example the first peak position. A black box appears around the value. </p> |
---|
1426 | |
---|
1427 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
---|
1428 | text-indent:-.25in;mso-list:l2 level2 lfo6'><![if !supportLists]><span |
---|
1429 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
---|
1430 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
---|
1431 | class=GramE>single-click</span> on the refine label above the peak position |
---|
1432 | check-boxes. The entire column of checkboxes is highlighted in blue. Press the <b |
---|
1433 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1434 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1435 | minor-latin'>y</span></b> key to turn on all refinement flags (<b |
---|
1436 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1437 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1438 | minor-latin'>n</span></b> would turn them off).</p> |
---|
1439 | |
---|
1440 | <p class=MsoNormal style='margin-left:.5in'>Next, repeat the refinement using |
---|
1441 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1442 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1443 | minor-latin'>Peak Fitting/LSQ <span class=SpellE>PeakFit</span></span></b> menu |
---|
1444 | item in the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1445 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1446 | minor-latin;mso-bidi-theme-font:minor-latin'>Peak List</span></b> window.</p> |
---|
1447 | |
---|
1448 | <p class=MsoNormal style='margin-left:.5in'><span |
---|
1449 | style='mso-spacerun:yes'> </span>Now, select peak widths for refinement. <span |
---|
1450 | style='mso-fareast-font-family:"Times New Roman"'>This can be performed in 2 |
---|
1451 | different ways. Method 1: refine sigma (Gaussian width) and/or |
---|
1452 | gamma (Lorentzian width) for individual peaks. To do this, click the |
---|
1453 | refinement flags for sigma and/or gamma in the Peak List window. |
---|
1454 | Method 2: preferably, the LS refinement of peak |
---|
1455 | widths can be constrained to follow an instrumental broadening |
---|
1456 | equation as described below. Note - one cannot refine ALL peak widths |
---|
1457 | using both individual sigma & gamma values AND instrumental |
---|
1458 | broadening terms at the same time.<b style='mso-bidi-font-weight:normal'> </b><o:p></o:p></span></p> |
---|
1459 | |
---|
1460 | <p class=MsoNormal style='margin-left:.5in'><span style='mso-fareast-font-family: |
---|
1461 | "Times New Roman";mso-bidi-font-weight:bold'>To constrain refined peak widths |
---|
1462 | to an instrumental broadening equation, first<b> s</b></span>elect the <b |
---|
1463 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1464 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1465 | minor-latin'>Instrumental Parameters</span></b> item in the data tree. <span |
---|
1466 | class=GramE>This opens a window for peak profile terms<b> </b><span |
---|
1467 | style='mso-bidi-font-weight:bold'>and also create</span></span><span |
---|
1468 | style='mso-bidi-font-weight:bold'> a new plot window showing the |
---|
1469 | instrument profile resolution curve.</span></p> |
---|
1470 | |
---|
1471 | <p class=MsoNormal style='margin-left:.5in'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1472 | id="Picture_x0020_10" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:422.25pt; |
---|
1473 | height:154.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1474 | <v:imagedata src="Fit%20Peaks_files/image011.png" o:title=""/> |
---|
1475 | </v:shape><![endif]--><![if !vml]><img border=0 width=563 height=206 |
---|
1476 | src="Fit%20Peaks_files/image011.png" v:shapes="Picture_x0020_10"><![endif]></span></p> |
---|
1477 | |
---|
1478 | <p class=MsoListParagraphCxSpFirst>The plot window shows the resolution curves |
---|
1479 | corresponding to the values of the Gaussian U, V, W, Lorentzian X & Y |
---|
1480 | coefficients; + marks show the individual values based on the sig & gam |
---|
1481 | values for the peaks in Peak List. Select the refine flag checkbox for Gaussian |
---|
1482 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1483 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1484 | minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:normal'><span |
---|
1485 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1486 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>V</span></b>, |
---|
1487 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1488 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1489 | minor-latin'>W</span></b>, and Lorentzian <b style='mso-bidi-font-weight:normal'><span |
---|
1490 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1491 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b>, |
---|
1492 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1493 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1494 | minor-latin'>Y</span></b>. </p> |
---|
1495 | |
---|
1496 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo6'><![if !supportLists]><span |
---|
1497 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
---|
1498 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Then, |
---|
1499 | repeat the refinement. First click on the <b style='mso-bidi-font-weight:normal'><span |
---|
1500 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1501 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak List</span></b> |
---|
1502 | item in the data tree and then refine using the <b style='mso-bidi-font-weight: |
---|
1503 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1504 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak |
---|
1505 | Fitting/LSQ <span class=SpellE>PeakFit</span></span></b> menu item. At this |
---|
1506 | point a good fit should be seen by zooming in on individual peaks. (For example |
---|
1507 | see </p> |
---|
1508 | |
---|
1509 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1510 | id="Picture_x0020_11" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:525pt; |
---|
1511 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1512 | <v:imagedata src="Fit%20Peaks_files/image012.png" o:title=""/> |
---|
1513 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1514 | src="Fit%20Peaks_files/image012.png" v:shapes="Picture_x0020_11"><![endif]></span></p> |
---|
1515 | |
---|
1516 | <p class=MsoListParagraphCxSpLast>The <span class=SpellE>Rwp</span> is ~6% as |
---|
1517 | shown on the console window. Again the <b style='mso-bidi-font-weight:normal'><span |
---|
1518 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1519 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak List</span></b> |
---|
1520 | entries are all updated with new values and those in <b style='mso-bidi-font-weight: |
---|
1521 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1522 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Instrument |
---|
1523 | Parameters</span></b> are also updated.</p> |
---|
1524 | |
---|
1525 | <h2><span class=GramE>Step 5.</span> Prepare Indexing Peak List</h2> |
---|
1526 | |
---|
1527 | <p class=MsoNormal>A separate list of peaks is kept for use in <span |
---|
1528 | class=SpellE>autoindexing</span>. It is found in the <b style='mso-bidi-font-weight: |
---|
1529 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1530 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Index |
---|
1531 | Peak List</span></b> item in the data tree. In the initially empty window |
---|
1532 | created by this action, use menu item <b style='mso-bidi-font-weight:normal'><span |
---|
1533 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1534 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Index Peaks |
---|
1535 | Operations/Load</span></b> to copy the fitted peaks from the <b |
---|
1536 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1537 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1538 | minor-latin'>Peak List</span></b>.</p> |
---|
1539 | |
---|
1540 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1541 | id="Picture_x0020_12" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:367.5pt; |
---|
1542 | height:225pt;visibility:visible;mso-wrap-style:square'> |
---|
1543 | <v:imagedata src="Fit%20Peaks_files/image013.png" o:title=""/> |
---|
1544 | </v:shape><![endif]--><![if !vml]><img border=0 width=490 height=300 |
---|
1545 | src="Fit%20Peaks_files/image013.png" v:shapes="Picture_x0020_12"><![endif]></span></p> |
---|
1546 | |
---|
1547 | <p class=MsoNormal>Note that by default all peaks are selected to be used. You |
---|
1548 | may choose to not use a fitted peak (e.g. if suspected it is from a |
---|
1549 | contaminant).</p> |
---|
1550 | |
---|
1551 | <h2><span class=GramE>Step 6.</span> Run <span class=SpellE>Autoindexing</span></h2> |
---|
1552 | |
---|
1553 | <p class=MsoNormal>Select the <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;mso-bidi-theme-font:minor-latin'>Unit Cells |
---|
1556 | List</span></b> data item. This brings up a window for indexing and cell refinement |
---|
1557 | options</p> |
---|
1558 | |
---|
1559 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1560 | id="Picture_x0020_13" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:527.25pt; |
---|
1561 | height:204pt;visibility:visible;mso-wrap-style:square'> |
---|
1562 | <v:imagedata src="Fit%20Peaks_files/image014.png" o:title=""/> |
---|
1563 | </v:shape><![endif]--><![if !vml]><img border=0 width=703 height=272 |
---|
1564 | src="Fit%20Peaks_files/image014.png" v:shapes="Picture_x0020_13"><![endif]></span></p> |
---|
1565 | |
---|
1566 | <p class=MsoNormal>For the most rapid search (since we know the right answer), |
---|
1567 | select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1568 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1569 | minor-latin'>Cubic-P</span></b> and launch the search using menu item <b |
---|
1570 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1571 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1572 | minor-latin'>Cell Index/Index Cell</span></b>. The search then runs and the console |
---|
1573 | shows a running list of possible cells as they are found; the sorted by M20 |
---|
1574 | list of possible matching cells is shown in the <b style='mso-bidi-font-weight: |
---|
1575 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1576 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Unit |
---|
1577 | Cells List</span></b> window</p> |
---|
1578 | |
---|
1579 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1580 | id="Picture_x0020_14" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:527.25pt; |
---|
1581 | height:376.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1582 | <v:imagedata src="Fit%20Peaks_files/image015.png" o:title=""/> |
---|
1583 | </v:shape><![endif]--><![if !vml]><img border=0 width=703 height=502 |
---|
1584 | src="Fit%20Peaks_files/image015.png" v:shapes="Picture_x0020_14"><![endif]></span></p> |
---|
1585 | |
---|
1586 | <h2><span class=GramE>Step 7.</span> Review Cell Choices</h2> |
---|
1587 | |
---|
1588 | <p class=MsoNormal>Review the list of cells associated with the <b |
---|
1589 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1590 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1591 | minor-latin'>Unit Cells List</span></b> data item. Note that as one selects a |
---|
1592 | unit cell, the generated reflections for that cell are shown in the plot with |
---|
1593 | dashed red lines. Sliding the cursor over these lines shows a small popup |
---|
1594 | window with the indexed <span class=SpellE>hkl</span> for them. Note how the |
---|
1595 | first cell in the list (M20~3000) with a=5.87864 Å generates very many lines |
---|
1596 | with no corresponding peaks (NB: this solution might not always show up!)</p> |
---|
1597 | |
---|
1598 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1599 | id="Picture_x0020_15" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt; |
---|
1600 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1601 | <v:imagedata src="Fit%20Peaks_files/image016.png" o:title=""/> |
---|
1602 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1603 | src="Fit%20Peaks_files/image016.png" v:shapes="Picture_x0020_15"><![endif]></span><span |
---|
1604 | style='mso-spacerun:yes'> </span></p> |
---|
1605 | |
---|
1606 | <p class=MsoNormal><span class=GramE>while</span> the (M20~600) cell with |
---|
1607 | a=2.93932 Å generates not enough lines to match all the peaks</p> |
---|
1608 | |
---|
1609 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1610 | id="Picture_x0020_16" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:525pt; |
---|
1611 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1612 | <v:imagedata src="Fit%20Peaks_files/image017.png" o:title=""/> |
---|
1613 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1614 | src="Fit%20Peaks_files/image017.png" v:shapes="Picture_x0020_16"><![endif]></span></p> |
---|
1615 | |
---|
1616 | <h2><span class=GramE>Step 8.</span> Select/Refine Cell</h2> |
---|
1617 | |
---|
1618 | <p class=MsoNormal>Select the cell with M20 ~ 2900 with a = 4.1568 Å. This |
---|
1619 | indexes all peaks with almost a perfect fit to the peak positions (compare |
---|
1620 | dashed red lines to solid blue ones). Import the cell information using the <b |
---|
1621 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1622 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1623 | minor-latin'>Cell Index/Copy Cell</span></b> menu option. Then optimize the |
---|
1624 | cell by refining the lattice parameters and the two-theta zero: click on the |
---|
1625 | refine checkbox next to the <b style='mso-bidi-font-weight:normal'><span |
---|
1626 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1627 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Zero offset</span></b> |
---|
1628 | value and then the <b style='mso-bidi-font-weight:normal'><span |
---|
1629 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1630 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell |
---|
1631 | Index/Refine Cell</span></b> menu option. <span class=GramE>The a</span> cell |
---|
1632 | parameter value shifts from 4.15679 to 4.15684 when zero is refined. Press the <b |
---|
1633 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1634 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1635 | minor-latin'>Show refined <span class=SpellE>hkl</span> positions + Zero offset</span></b> |
---|
1636 | button to update the plot including the refined <b style='mso-bidi-font-weight: |
---|
1637 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1638 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Zero |
---|
1639 | offset</span></b> (in this case hardly anything happens!) </p> |
---|
1640 | |
---|
1641 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1642 | id="Picture_x0020_17" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:527.25pt; |
---|
1643 | height:334.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1644 | <v:imagedata src="Fit%20Peaks_files/image018.png" o:title=""/> |
---|
1645 | </v:shape><![endif]--><![if !vml]><img border=0 width=703 height=446 |
---|
1646 | src="Fit%20Peaks_files/image018.png" v:shapes="Picture_x0020_17"><![endif]></span></p> |
---|
1647 | |
---|
1648 | <p class=MsoNormal>Notice that a new entry heads the list in the <b |
---|
1649 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1650 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1651 | minor-latin'>Indexing Result</span></b> section of the <b style='mso-bidi-font-weight: |
---|
1652 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1653 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell |
---|
1654 | Index/Refine</span></b> window with an improved M20(=3614.66) and a new value |
---|
1655 | for <b 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;mso-bidi-theme-font: |
---|
1657 | minor-latin'>Zero offset</span></b> is shown.</p> |
---|
1658 | |
---|
1659 | <p class=MsoNormal>(Optional) Finally, use of the <b style='mso-bidi-font-weight: |
---|
1660 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1661 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cell |
---|
1662 | Index/New phase</span></b> menu option allows one to create a phase with these |
---|
1663 | lattice parameters in the data tree under <b style='mso-bidi-font-weight:normal'><span |
---|
1664 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1665 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phases</span></b>.<span |
---|
1666 | style='mso-spacerun:yes'> </span>A name for the new phase is requested. This |
---|
1667 | creates the tree item <b style='mso-bidi-font-weight:normal'><span |
---|
1668 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1669 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phases</span></b> |
---|
1670 | (if it wasnt already present). This new phase can be used in future analysis |
---|
1671 | (e.g. Rietveld or Pawley refinement).</p> |
---|
1672 | |
---|
1673 | <p class=MsoNormal>To continue with the second part of this exercise, <span |
---|
1674 | class=GramE>do the menu item</span> <b style='mso-bidi-font-weight:normal'><span |
---|
1675 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1676 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>File/Close |
---|
1677 | project</span></b> in the <b style='mso-bidi-font-weight:normal'><span |
---|
1678 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1679 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data |
---|
1680 | tree </span></b>window. You will be asked if you want it saved; if <span |
---|
1681 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
---|
1682 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
---|
1683 | minor-latin;mso-bidi-theme-font:minor-latin'>Yes</span></b></span> then all the |
---|
1684 | peak fitting/indexing & cell refinement results will be saved to the <b |
---|
1685 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1686 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1687 | minor-latin'>LaB6.gpx</span></b> file. If <b style='mso-bidi-font-weight:normal'><span |
---|
1688 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1689 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>No</span></b> |
---|
1690 | then the file will remain as it was when created at Step 4 above.</p> |
---|
1691 | |
---|
1692 | <h1>2<sup>nd</sup> Fit Peaks/<span class=SpellE>Autoindexing</span> in GSAS-II </h1> |
---|
1693 | |
---|
1694 | <p class=MsoNormal>In this exercise we will fit peaks and index them for the |
---|
1695 | new mineral <a href="http://en.wikipedia.org/wiki/Jadarite"><span class=SpellE>jadarite</span></a> |
---|
1696 | (aka <a href="http://en.wikipedia.org/wiki/Kryptonite">kryptonite</a>). The |
---|
1697 | data was also collected on 11BM-B at APS. The unit cell is monoclinic so is a |
---|
1698 | more substantial test of the indexing capability of GSAS-II.</p> |
---|
1699 | |
---|
1700 | <h2><span class=GramE>Step 1.</span> Read in the data. </h2> |
---|
1701 | |
---|
1702 | <p class=MsoNormal>The file is <b style='mso-bidi-font-weight:normal'><span |
---|
1703 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1704 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>\Exercises\<span |
---|
1705 | class=SpellE>krptonite</span>\11bmb_6231.fxye</span></b>; it has a |
---|
1706 | corresponding <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1707 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1708 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>prm</span></b></span> |
---|
1709 | file. Load them in & the plot is</p> |
---|
1710 | |
---|
1711 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1712 | id="Picture_x0020_18" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:525pt; |
---|
1713 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1714 | <v:imagedata src="Fit%20Peaks_files/image019.png" o:title=""/> |
---|
1715 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1716 | src="Fit%20Peaks_files/image019.png" v:shapes="Picture_x0020_18"><![endif]></span></p> |
---|
1717 | |
---|
1718 | <p class=MsoNormal>Ive zoomed in & shifted the plot some to highlight the |
---|
1719 | lower part of the pattern.</p> |
---|
1720 | |
---|
1721 | <h2>Step 2 Set limits</h2> |
---|
1722 | |
---|
1723 | <p class=MsoNormal>Set the limits as <b style='mso-bidi-font-weight:normal'><span |
---|
1724 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1725 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>3</span></b> |
---|
1726 | and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1727 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1728 | minor-latin'>10</span></b>.</p> |
---|
1729 | |
---|
1730 | <h2>Step 3 Pick peaks</h2> |
---|
1731 | |
---|
1732 | <p class=MsoNormal>Pick all peaks you can see between the limits (including the |
---|
1733 | small ones). Note some peaks have shoulders most notably at 5.07, 6.04, |
---|
1734 | 7.81deg. I found 28 peaks (there were a few very weak ones I skipped they |
---|
1735 | might be from a second phase? Well see later).</p> |
---|
1736 | |
---|
1737 | <p class=MsoNormal><!--[if gte vml 1]><v:shape id="Picture_x0020_19" o:spid="_x0000_s1026" |
---|
1738 | type="#_x0000_t75" style='position:absolute;margin-left:0;margin-top:0; |
---|
1739 | width:525pt;height:450pt;z-index:251658240;visibility:visible; |
---|
1740 | mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0; |
---|
1741 | mso-wrap-distance-left:9pt;mso-wrap-distance-top:0;mso-wrap-distance-right:9pt; |
---|
1742 | mso-wrap-distance-bottom:0;mso-position-horizontal:left; |
---|
1743 | mso-position-horizontal-relative:text;mso-position-vertical:top; |
---|
1744 | mso-position-vertical-relative:text;mso-width-percent:0;mso-height-percent:0; |
---|
1745 | mso-width-relative:page;mso-height-relative:page'> |
---|
1746 | <v:imagedata src="Fit%20Peaks_files/image020.png" o:title=""/> |
---|
1747 | <w:wrap type="square"/> |
---|
1748 | </v:shape><![endif]--><![if !vml]><img width=700 height=600 |
---|
1749 | src="Fit%20Peaks_files/image020.png" align=left hspace=12 v:shapes="Picture_x0020_19"><![endif]><br |
---|
1750 | clear=all style='mso-special-character:line-break'> |
---|
1751 | </p> |
---|
1752 | |
---|
1753 | <h2><span class=GramE>Step 4.</span> Refine peaks</h2> |
---|
1754 | |
---|
1755 | <p class=MsoNormal>Following the steps above, refine the peaks and the profile |
---|
1756 | shape parameters in <b style='mso-bidi-font-weight:normal'><span |
---|
1757 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1758 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Instrument |
---|
1759 | Parameters</span></b>. You will be asked for a project file name at the first |
---|
1760 | refinement (I used <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
---|
1761 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1762 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>jadarite</span></b></span><b |
---|
1763 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1764 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1765 | minor-latin'></span></b>). In the end my refinement converged at <span |
---|
1766 | class=SpellE>Rwp</span>=13.18% and some peaks do show some discrepancy as the |
---|
1767 | sample is more complex than the simple <b style='mso-bidi-font-weight:normal'><span |
---|
1768 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1769 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>U</span></b>, |
---|
1770 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1771 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1772 | minor-latin'>V</span></b>, <b style='mso-bidi-font-weight:normal'><span |
---|
1773 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1774 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>W</span></b>, |
---|
1775 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1776 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1777 | minor-latin'>X</span></b>, <b style='mso-bidi-font-weight:normal'><span |
---|
1778 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1779 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Y</span></b> |
---|
1780 | model can accommodate. However, this is good enough to proceed.</p> |
---|
1781 | |
---|
1782 | <h2><span class=GramE>Step 5.</span> Prepare Indexing Peak List</h2> |
---|
1783 | |
---|
1784 | <p class=MsoNormal>As before do <b style='mso-bidi-font-weight:normal'><span |
---|
1785 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1786 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Operations/Load/Reload</span></b> |
---|
1787 | in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1788 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1789 | minor-latin'>Index Peak List</span></b> window.</p> |
---|
1790 | |
---|
1791 | <h2><span class=GramE>Step 6.</span> Index the cell</h2> |
---|
1792 | |
---|
1793 | <p class=MsoNormal>Lets assume that we know the cell in primitive monoclinic. |
---|
1794 | In a real world case we wouldnt know this and we would have to try each <span |
---|
1795 | class=SpellE>Bravais</span> lattice. These can be done as a group, but it takes |
---|
1796 | time to go through all the bad cases.</p> |
---|
1797 | |
---|
1798 | <p class=MsoNormal>Select <b style='mso-bidi-font-weight:normal'><span |
---|
1799 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1800 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Monoclinic-P</span></b> |
---|
1801 | and do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1802 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1803 | minor-latin'>Cell Index/Refine/Index cell</span></b> in the <b |
---|
1804 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1805 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1806 | minor-latin'>Unit Cells List</span></b> window. Progress will be much slower |
---|
1807 | and suitable results will be slow in coming so be patient. Watch the console |
---|
1808 | window; the right answer will have an obviously large M20 (~630) and a volume |
---|
1809 | of ~594Å<sup>3</sup> (10<sup>th</sup> column of console display). Once this is |
---|
1810 | seen (it may take more than one try to get this) you can stop the indexing |
---|
1811 | search by pressing <b style='mso-bidi-font-weight:normal'><span |
---|
1812 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1813 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cancel</span></b> |
---|
1814 | on the progress bar window. It may take more than one press to fully stop it. |
---|
1815 | My result was </p> |
---|
1816 | |
---|
1817 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1818 | id="Picture_x0020_20" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:527.25pt; |
---|
1819 | height:376.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1820 | <v:imagedata src="Fit%20Peaks_files/image021.png" o:title=""/> |
---|
1821 | </v:shape><![endif]--><![if !vml]><img border=0 width=703 height=502 |
---|
1822 | src="Fit%20Peaks_files/image021.png" v:shapes="Picture_x0020_20"><![endif]></span></p> |
---|
1823 | |
---|
1824 | <p class=MsoNormal>Notice an equally good M20 result with twice the volume. The |
---|
1825 | plot shows every peak indexed including a couple of weak peaks not selected for |
---|
1826 | the peak fitting.</p> |
---|
1827 | |
---|
1828 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1829 | id="Picture_x0020_21" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:525pt; |
---|
1830 | height:450pt;visibility:visible;mso-wrap-style:square'> |
---|
1831 | <v:imagedata src="Fit%20Peaks_files/image022.png" o:title=""/> |
---|
1832 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
---|
1833 | src="Fit%20Peaks_files/image022.png" v:shapes="Picture_x0020_21"><![endif]></span></p> |
---|
1834 | |
---|
1835 | <p class=MsoNormal>Although the weak peak at 2<span style='font-family:Symbol; |
---|
1836 | mso-char-type:symbol;mso-symbol-font-family:Symbol'><span style='mso-char-type: |
---|
1837 | symbol;mso-symbol-font-family:Symbol'>Q</span></span>~7.3 has a shoulder that |
---|
1838 | wasnt indexed. I presume that is a contaminant. By sliding the cursor over the |
---|
1839 | index lines without any visible peak you can see that the missing ones are |
---|
1840 | (010, 100, 001, 110, 030, 111, 20-1, 10-2, 041, 050, 21-2, 23-1, 22-2, 141, |
---|
1841 | 201,102, 15-1, 112, & 24-1). Many of these are accidental but the 0k0; k≠2n |
---|
1842 | and h0l; h+l≠2n ones characterize the space group P2<sub>1</sub>/n. Armed |
---|
1843 | with this information you can <b style='mso-bidi-font-weight:normal'><span |
---|
1844 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1845 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Make new |
---|
1846 | phase</span></b> for the indexed cell (I called it <b style='mso-bidi-font-weight: |
---|
1847 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
---|
1848 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>kryptonite</span></b>) |
---|
1849 | and set the space group in the <b style='mso-bidi-font-weight:normal'><span |
---|
1850 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1851 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase Data |
---|
1852 | for kryptonite</span></b> window.</p> |
---|
1853 | |
---|
1854 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1855 | id="Picture_x0020_22" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:597.75pt; |
---|
1856 | height:214.5pt;visibility:visible;mso-wrap-style:square'> |
---|
1857 | <v:imagedata src="Fit%20Peaks_files/image023.png" o:title=""/> |
---|
1858 | </v:shape><![endif]--><![if !vml]><img border=0 width=797 height=286 |
---|
1859 | src="Fit%20Peaks_files/image023.png" v:shapes="Picture_x0020_22"><![endif]></span></p> |
---|
1860 | |
---|
1861 | <p class=MsoNormal>Setting the space group will show a window with some |
---|
1862 | information. Press <b style='mso-bidi-font-weight:normal'><span |
---|
1863 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1864 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b> |
---|
1865 | to close it.</p> |
---|
1866 | |
---|
1867 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
---|
1868 | id="Picture_x0020_23" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:333.75pt; |
---|
1869 | height:209.25pt;visibility:visible;mso-wrap-style:square'> |
---|
1870 | <v:imagedata src="Fit%20Peaks_files/image024.png" o:title=""/> |
---|
1871 | </v:shape><![endif]--><![if !vml]><img border=0 width=445 height=279 |
---|
1872 | src="Fit%20Peaks_files/image024.png" v:shapes="Picture_x0020_23"><![endif]></span></p> |
---|
1873 | |
---|
1874 | <p class=MsoNormal>This concludes this exercise; <span class=GramE><b |
---|
1875 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1876 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1877 | minor-latin'>Save</span></b></span> the project file as it is needed for the <b |
---|
1878 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
---|
1879 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
---|
1880 | minor-latin'><a href="Charge%20Flipping%20in%20GSAS.htm">Charge Flipping</a></span></b> |
---|
1881 | exercise. The features of the <b style='mso-bidi-font-weight:normal'><span |
---|
1882 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
---|
1883 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase Data</span></b> |
---|
1884 | window will be presented in other exercises.</p> |
---|
1885 | |
---|
1886 | </div> |
---|
1887 | |
---|
1888 | </body> |
---|
1889 | |
---|
1890 | </html> |
---|