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| 23 | <o:Author>Von Dreele</o:Author> |
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| 27 | <o:Created>2012-05-10T13:32:00Z</o:Created> |
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| 306 | UnhideWhenUsed="false" Name="Light Grid Accent 6"/> |
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| 307 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
|---|
| 308 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 6"/> |
|---|
| 309 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
|---|
| 310 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 6"/> |
|---|
| 311 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
|---|
| 312 | UnhideWhenUsed="false" Name="Medium List 1 Accent 6"/> |
|---|
| 313 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
|---|
| 314 | UnhideWhenUsed="false" Name="Medium List 2 Accent 6"/> |
|---|
| 315 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
|---|
| 316 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 6"/> |
|---|
| 317 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
|---|
| 318 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 6"/> |
|---|
| 319 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
|---|
| 320 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 6"/> |
|---|
| 321 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
|---|
| 322 | UnhideWhenUsed="false" Name="Dark List Accent 6"/> |
|---|
| 323 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
|---|
| 324 | UnhideWhenUsed="false" Name="Colorful Shading Accent 6"/> |
|---|
| 325 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
|---|
| 326 | UnhideWhenUsed="false" Name="Colorful List Accent 6"/> |
|---|
| 327 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
|---|
| 328 | UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/> |
|---|
| 329 | <w:LsdException Locked="false" Priority="19" SemiHidden="false" |
|---|
| 330 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Emphasis"/> |
|---|
| 331 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
|---|
| 332 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
|---|
| 333 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
|---|
| 334 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
|---|
| 335 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
|---|
| 336 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
|---|
| 337 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
|---|
| 338 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
|---|
| 339 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
|---|
| 340 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
|---|
| 341 | </w:LatentStyles> |
|---|
| 342 | </xml><![endif]--> |
|---|
| 343 | <style> |
|---|
| 344 | <!-- |
|---|
| 345 | /* Font Definitions */ |
|---|
| 346 | @font-face |
|---|
| 347 | {font-family:Calibri; |
|---|
| 348 | panose-1:2 15 5 2 2 2 4 3 2 4; |
|---|
| 349 | mso-font-charset:0; |
|---|
| 350 | mso-generic-font-family:swiss; |
|---|
| 351 | mso-font-pitch:variable; |
|---|
| 352 | mso-font-signature:-520092929 1073786111 9 0 415 0;} |
|---|
| 353 | @font-face |
|---|
| 354 | {font-family:Tahoma; |
|---|
| 355 | panose-1:2 11 6 4 3 5 4 4 2 4; |
|---|
| 356 | mso-font-charset:0; |
|---|
| 357 | mso-generic-font-family:swiss; |
|---|
| 358 | mso-font-pitch:variable; |
|---|
| 359 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
|---|
| 360 | /* Style Definitions */ |
|---|
| 361 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
|---|
| 362 | {mso-style-unhide:no; |
|---|
| 363 | mso-style-qformat:yes; |
|---|
| 364 | mso-style-parent:""; |
|---|
| 365 | margin:0in; |
|---|
| 366 | margin-bottom:.0001pt; |
|---|
| 367 | mso-pagination:widow-orphan; |
|---|
| 368 | font-size:12.0pt; |
|---|
| 369 | font-family:"Times New Roman","serif"; |
|---|
| 370 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 371 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 372 | h1 |
|---|
| 373 | {mso-style-priority:9; |
|---|
| 374 | mso-style-unhide:no; |
|---|
| 375 | mso-style-qformat:yes; |
|---|
| 376 | mso-style-link:"Heading 1 Char"; |
|---|
| 377 | mso-margin-top-alt:auto; |
|---|
| 378 | margin-right:0in; |
|---|
| 379 | mso-margin-bottom-alt:auto; |
|---|
| 380 | margin-left:0in; |
|---|
| 381 | mso-pagination:widow-orphan; |
|---|
| 382 | mso-outline-level:1; |
|---|
| 383 | font-size:24.0pt; |
|---|
| 384 | font-family:"Times New Roman","serif"; |
|---|
| 385 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 386 | mso-fareast-theme-font:minor-fareast; |
|---|
| 387 | font-weight:bold;} |
|---|
| 388 | h2 |
|---|
| 389 | {mso-style-noshow:yes; |
|---|
| 390 | mso-style-priority:9; |
|---|
| 391 | mso-style-qformat:yes; |
|---|
| 392 | mso-style-link:"Heading 2 Char"; |
|---|
| 393 | mso-margin-top-alt:auto; |
|---|
| 394 | margin-right:0in; |
|---|
| 395 | mso-margin-bottom-alt:auto; |
|---|
| 396 | margin-left:0in; |
|---|
| 397 | mso-pagination:widow-orphan; |
|---|
| 398 | mso-outline-level:2; |
|---|
| 399 | font-size:18.0pt; |
|---|
| 400 | font-family:"Times New Roman","serif"; |
|---|
| 401 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 402 | mso-fareast-theme-font:minor-fareast; |
|---|
| 403 | font-weight:bold;} |
|---|
| 404 | h3 |
|---|
| 405 | {mso-style-noshow:yes; |
|---|
| 406 | mso-style-priority:9; |
|---|
| 407 | mso-style-qformat:yes; |
|---|
| 408 | mso-style-link:"Heading 3 Char"; |
|---|
| 409 | mso-margin-top-alt:auto; |
|---|
| 410 | margin-right:0in; |
|---|
| 411 | mso-margin-bottom-alt:auto; |
|---|
| 412 | margin-left:0in; |
|---|
| 413 | mso-pagination:widow-orphan; |
|---|
| 414 | mso-outline-level:3; |
|---|
| 415 | font-size:13.5pt; |
|---|
| 416 | font-family:"Times New Roman","serif"; |
|---|
| 417 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 418 | mso-fareast-theme-font:minor-fareast; |
|---|
| 419 | font-weight:bold;} |
|---|
| 420 | h4 |
|---|
| 421 | {mso-style-noshow:yes; |
|---|
| 422 | mso-style-priority:9; |
|---|
| 423 | mso-style-qformat:yes; |
|---|
| 424 | mso-style-link:"Heading 4 Char"; |
|---|
| 425 | mso-style-next:Normal; |
|---|
| 426 | margin-top:10.0pt; |
|---|
| 427 | margin-right:0in; |
|---|
| 428 | margin-bottom:0in; |
|---|
| 429 | margin-left:0in; |
|---|
| 430 | margin-bottom:.0001pt; |
|---|
| 431 | mso-pagination:widow-orphan lines-together; |
|---|
| 432 | page-break-after:avoid; |
|---|
| 433 | mso-outline-level:4; |
|---|
| 434 | font-size:13.0pt; |
|---|
| 435 | font-family:"Cambria","serif"; |
|---|
| 436 | mso-ascii-font-family:Cambria; |
|---|
| 437 | mso-ascii-theme-font:major-latin; |
|---|
| 438 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 439 | mso-fareast-theme-font:major-fareast; |
|---|
| 440 | mso-hansi-font-family:Cambria; |
|---|
| 441 | mso-hansi-theme-font:major-latin; |
|---|
| 442 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 443 | mso-bidi-theme-font:major-bidi; |
|---|
| 444 | color:#4F81BD; |
|---|
| 445 | mso-themecolor:accent1; |
|---|
| 446 | font-weight:bold; |
|---|
| 447 | font-style:italic;} |
|---|
| 448 | h5 |
|---|
| 449 | {mso-style-noshow:yes; |
|---|
| 450 | mso-style-priority:9; |
|---|
| 451 | mso-style-qformat:yes; |
|---|
| 452 | mso-style-link:"Heading 5 Char"; |
|---|
| 453 | mso-margin-top-alt:auto; |
|---|
| 454 | margin-right:0in; |
|---|
| 455 | mso-margin-bottom-alt:auto; |
|---|
| 456 | margin-left:0in; |
|---|
| 457 | mso-pagination:widow-orphan; |
|---|
| 458 | mso-outline-level:5; |
|---|
| 459 | font-size:12.0pt; |
|---|
| 460 | font-family:"Times New Roman","serif"; |
|---|
| 461 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 462 | mso-fareast-theme-font:minor-fareast; |
|---|
| 463 | color:#4F4FFF; |
|---|
| 464 | font-weight:bold;} |
|---|
| 465 | a:link, span.MsoHyperlink |
|---|
| 466 | {mso-style-noshow:yes; |
|---|
| 467 | mso-style-priority:99; |
|---|
| 468 | color:blue; |
|---|
| 469 | text-decoration:underline; |
|---|
| 470 | text-underline:single;} |
|---|
| 471 | a:visited, span.MsoHyperlinkFollowed |
|---|
| 472 | {mso-style-noshow:yes; |
|---|
| 473 | mso-style-priority:99; |
|---|
| 474 | color:purple; |
|---|
| 475 | text-decoration:underline; |
|---|
| 476 | text-underline:single;} |
|---|
| 477 | p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap |
|---|
| 478 | {mso-style-noshow:yes; |
|---|
| 479 | mso-style-priority:99; |
|---|
| 480 | mso-style-link:"Document Map Char"; |
|---|
| 481 | margin:0in; |
|---|
| 482 | margin-bottom:.0001pt; |
|---|
| 483 | mso-pagination:widow-orphan; |
|---|
| 484 | font-size:8.0pt; |
|---|
| 485 | font-family:"Tahoma","sans-serif"; |
|---|
| 486 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 487 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 488 | p |
|---|
| 489 | {mso-style-noshow:yes; |
|---|
| 490 | mso-style-priority:99; |
|---|
| 491 | mso-margin-top-alt:auto; |
|---|
| 492 | margin-right:0in; |
|---|
| 493 | mso-margin-bottom-alt:auto; |
|---|
| 494 | margin-left:0in; |
|---|
| 495 | mso-pagination:widow-orphan; |
|---|
| 496 | font-size:12.0pt; |
|---|
| 497 | font-family:"Times New Roman","serif"; |
|---|
| 498 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 499 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 500 | pre |
|---|
| 501 | {mso-style-noshow:yes; |
|---|
| 502 | mso-style-priority:99; |
|---|
| 503 | mso-style-link:"HTML Preformatted Char"; |
|---|
| 504 | margin:0in; |
|---|
| 505 | margin-bottom:.0001pt; |
|---|
| 506 | mso-pagination:widow-orphan; |
|---|
| 507 | 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; |
|---|
| 508 | font-size:10.0pt; |
|---|
| 509 | font-family:"Courier New"; |
|---|
| 510 | mso-fareast-font-family:"Times New Roman";} |
|---|
| 511 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
|---|
| 512 | {mso-style-noshow:yes; |
|---|
| 513 | mso-style-priority:99; |
|---|
| 514 | mso-style-link:"Balloon Text Char"; |
|---|
| 515 | margin:0in; |
|---|
| 516 | margin-bottom:.0001pt; |
|---|
| 517 | mso-pagination:widow-orphan; |
|---|
| 518 | font-size:8.0pt; |
|---|
| 519 | font-family:"Tahoma","sans-serif"; |
|---|
| 520 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 521 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 522 | span.MsoPlaceholderText |
|---|
| 523 | {mso-style-noshow:yes; |
|---|
| 524 | mso-style-priority:99; |
|---|
| 525 | mso-style-unhide:no; |
|---|
| 526 | color:gray;} |
|---|
| 527 | p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing |
|---|
| 528 | {mso-style-noshow:yes; |
|---|
| 529 | mso-style-priority:1; |
|---|
| 530 | mso-style-unhide:no; |
|---|
| 531 | mso-style-qformat:yes; |
|---|
| 532 | mso-style-parent:""; |
|---|
| 533 | margin:0in; |
|---|
| 534 | margin-bottom:.0001pt; |
|---|
| 535 | mso-pagination:widow-orphan; |
|---|
| 536 | font-size:12.0pt; |
|---|
| 537 | font-family:"Times New Roman","serif"; |
|---|
| 538 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 539 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 540 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
|---|
| 541 | {mso-style-noshow:yes; |
|---|
| 542 | mso-style-priority:34; |
|---|
| 543 | mso-style-unhide:no; |
|---|
| 544 | mso-style-qformat:yes; |
|---|
| 545 | margin-top:0in; |
|---|
| 546 | margin-right:0in; |
|---|
| 547 | margin-bottom:0in; |
|---|
| 548 | margin-left:.5in; |
|---|
| 549 | margin-bottom:.0001pt; |
|---|
| 550 | mso-add-space:auto; |
|---|
| 551 | mso-pagination:widow-orphan; |
|---|
| 552 | font-size:12.0pt; |
|---|
| 553 | font-family:"Times New Roman","serif"; |
|---|
| 554 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 555 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 556 | p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
|---|
| 557 | {mso-style-noshow:yes; |
|---|
| 558 | mso-style-priority:34; |
|---|
| 559 | mso-style-unhide:no; |
|---|
| 560 | mso-style-qformat:yes; |
|---|
| 561 | mso-style-type:export-only; |
|---|
| 562 | margin-top:0in; |
|---|
| 563 | margin-right:0in; |
|---|
| 564 | margin-bottom:0in; |
|---|
| 565 | margin-left:.5in; |
|---|
| 566 | margin-bottom:.0001pt; |
|---|
| 567 | mso-add-space:auto; |
|---|
| 568 | mso-pagination:widow-orphan; |
|---|
| 569 | font-size:12.0pt; |
|---|
| 570 | font-family:"Times New Roman","serif"; |
|---|
| 571 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 572 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 573 | p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
|---|
| 574 | {mso-style-noshow:yes; |
|---|
| 575 | mso-style-priority:34; |
|---|
| 576 | mso-style-unhide:no; |
|---|
| 577 | mso-style-qformat:yes; |
|---|
| 578 | mso-style-type:export-only; |
|---|
| 579 | margin-top:0in; |
|---|
| 580 | margin-right:0in; |
|---|
| 581 | margin-bottom:0in; |
|---|
| 582 | margin-left:.5in; |
|---|
| 583 | margin-bottom:.0001pt; |
|---|
| 584 | mso-add-space:auto; |
|---|
| 585 | mso-pagination:widow-orphan; |
|---|
| 586 | font-size:12.0pt; |
|---|
| 587 | font-family:"Times New Roman","serif"; |
|---|
| 588 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 589 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 590 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
|---|
| 591 | {mso-style-noshow:yes; |
|---|
| 592 | mso-style-priority:34; |
|---|
| 593 | mso-style-unhide:no; |
|---|
| 594 | mso-style-qformat:yes; |
|---|
| 595 | mso-style-type:export-only; |
|---|
| 596 | margin-top:0in; |
|---|
| 597 | margin-right:0in; |
|---|
| 598 | margin-bottom:0in; |
|---|
| 599 | margin-left:.5in; |
|---|
| 600 | margin-bottom:.0001pt; |
|---|
| 601 | mso-add-space:auto; |
|---|
| 602 | mso-pagination:widow-orphan; |
|---|
| 603 | font-size:12.0pt; |
|---|
| 604 | font-family:"Times New Roman","serif"; |
|---|
| 605 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 606 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 607 | span.MsoIntenseReference |
|---|
| 608 | {mso-style-priority:32; |
|---|
| 609 | mso-style-unhide:no; |
|---|
| 610 | mso-style-qformat:yes; |
|---|
| 611 | font-variant:small-caps; |
|---|
| 612 | color:#C0504D; |
|---|
| 613 | mso-themecolor:accent2; |
|---|
| 614 | letter-spacing:.25pt; |
|---|
| 615 | font-weight:bold; |
|---|
| 616 | text-decoration:underline; |
|---|
| 617 | text-underline:single;} |
|---|
| 618 | span.Heading1Char |
|---|
| 619 | {mso-style-name:"Heading 1 Char"; |
|---|
| 620 | mso-style-priority:9; |
|---|
| 621 | mso-style-unhide:no; |
|---|
| 622 | mso-style-locked:yes; |
|---|
| 623 | mso-style-link:"Heading 1"; |
|---|
| 624 | mso-ansi-font-size:24.0pt; |
|---|
| 625 | mso-bidi-font-size:24.0pt; |
|---|
| 626 | font-family:"Times New Roman","serif"; |
|---|
| 627 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 628 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 629 | mso-fareast-theme-font:minor-fareast; |
|---|
| 630 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 631 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 632 | mso-font-kerning:18.0pt; |
|---|
| 633 | font-weight:bold;} |
|---|
| 634 | span.Heading2Char |
|---|
| 635 | {mso-style-name:"Heading 2 Char"; |
|---|
| 636 | mso-style-noshow:yes; |
|---|
| 637 | mso-style-priority:9; |
|---|
| 638 | mso-style-unhide:no; |
|---|
| 639 | mso-style-locked:yes; |
|---|
| 640 | mso-style-link:"Heading 2"; |
|---|
| 641 | mso-ansi-font-size:18.0pt; |
|---|
| 642 | mso-bidi-font-size:18.0pt; |
|---|
| 643 | font-family:"Times New Roman","serif"; |
|---|
| 644 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 645 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 646 | mso-fareast-theme-font:minor-fareast; |
|---|
| 647 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 648 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 649 | font-weight:bold;} |
|---|
| 650 | span.Heading3Char |
|---|
| 651 | {mso-style-name:"Heading 3 Char"; |
|---|
| 652 | mso-style-noshow:yes; |
|---|
| 653 | mso-style-priority:9; |
|---|
| 654 | mso-style-unhide:no; |
|---|
| 655 | mso-style-locked:yes; |
|---|
| 656 | mso-style-link:"Heading 3"; |
|---|
| 657 | mso-ansi-font-size:13.5pt; |
|---|
| 658 | mso-bidi-font-size:13.5pt; |
|---|
| 659 | font-family:"Times New Roman","serif"; |
|---|
| 660 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 661 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 662 | mso-fareast-theme-font:minor-fareast; |
|---|
| 663 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 664 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 665 | font-weight:bold;} |
|---|
| 666 | span.Heading4Char |
|---|
| 667 | {mso-style-name:"Heading 4 Char"; |
|---|
| 668 | mso-style-noshow:yes; |
|---|
| 669 | mso-style-priority:9; |
|---|
| 670 | mso-style-unhide:no; |
|---|
| 671 | mso-style-locked:yes; |
|---|
| 672 | mso-style-link:"Heading 4"; |
|---|
| 673 | mso-ansi-font-size:13.0pt; |
|---|
| 674 | mso-bidi-font-size:13.0pt; |
|---|
| 675 | font-family:"Cambria","serif"; |
|---|
| 676 | mso-ascii-font-family:Cambria; |
|---|
| 677 | mso-ascii-theme-font:major-latin; |
|---|
| 678 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 679 | mso-fareast-theme-font:major-fareast; |
|---|
| 680 | mso-hansi-font-family:Cambria; |
|---|
| 681 | mso-hansi-theme-font:major-latin; |
|---|
| 682 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 683 | mso-bidi-theme-font:major-bidi; |
|---|
| 684 | color:#4F81BD; |
|---|
| 685 | mso-themecolor:accent1; |
|---|
| 686 | font-weight:bold; |
|---|
| 687 | font-style:italic;} |
|---|
| 688 | span.Heading5Char |
|---|
| 689 | {mso-style-name:"Heading 5 Char"; |
|---|
| 690 | mso-style-noshow:yes; |
|---|
| 691 | mso-style-priority:9; |
|---|
| 692 | mso-style-unhide:no; |
|---|
| 693 | mso-style-locked:yes; |
|---|
| 694 | mso-style-link:"Heading 5"; |
|---|
| 695 | mso-ansi-font-size:12.0pt; |
|---|
| 696 | mso-bidi-font-size:12.0pt; |
|---|
| 697 | font-family:"Times New Roman","serif"; |
|---|
| 698 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 699 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 700 | mso-fareast-theme-font:minor-fareast; |
|---|
| 701 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 702 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 703 | color:#4F4FFF; |
|---|
| 704 | font-weight:bold;} |
|---|
| 705 | span.HTMLPreformattedChar |
|---|
| 706 | {mso-style-name:"HTML Preformatted Char"; |
|---|
| 707 | mso-style-noshow:yes; |
|---|
| 708 | mso-style-priority:99; |
|---|
| 709 | mso-style-unhide:no; |
|---|
| 710 | mso-style-locked:yes; |
|---|
| 711 | mso-style-link:"HTML Preformatted"; |
|---|
| 712 | mso-ansi-font-size:10.0pt; |
|---|
| 713 | mso-bidi-font-size:10.0pt; |
|---|
| 714 | font-family:"Courier New"; |
|---|
| 715 | mso-ascii-font-family:"Courier New"; |
|---|
| 716 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 717 | mso-hansi-font-family:"Courier New"; |
|---|
| 718 | mso-bidi-font-family:"Courier New";} |
|---|
| 719 | span.DocumentMapChar |
|---|
| 720 | {mso-style-name:"Document Map Char"; |
|---|
| 721 | mso-style-noshow:yes; |
|---|
| 722 | mso-style-priority:99; |
|---|
| 723 | mso-style-unhide:no; |
|---|
| 724 | mso-style-locked:yes; |
|---|
| 725 | mso-style-link:"Document Map"; |
|---|
| 726 | mso-ansi-font-size:8.0pt; |
|---|
| 727 | mso-bidi-font-size:8.0pt; |
|---|
| 728 | font-family:"Tahoma","sans-serif"; |
|---|
| 729 | mso-ascii-font-family:Tahoma; |
|---|
| 730 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 731 | mso-fareast-theme-font:minor-fareast; |
|---|
| 732 | mso-hansi-font-family:Tahoma; |
|---|
| 733 | mso-bidi-font-family:Tahoma;} |
|---|
| 734 | span.BalloonTextChar |
|---|
| 735 | {mso-style-name:"Balloon Text Char"; |
|---|
| 736 | mso-style-noshow:yes; |
|---|
| 737 | mso-style-priority:99; |
|---|
| 738 | mso-style-unhide:no; |
|---|
| 739 | mso-style-locked:yes; |
|---|
| 740 | mso-style-link:"Balloon Text"; |
|---|
| 741 | mso-ansi-font-size:8.0pt; |
|---|
| 742 | mso-bidi-font-size:8.0pt; |
|---|
| 743 | font-family:"Tahoma","sans-serif"; |
|---|
| 744 | mso-ascii-font-family:Tahoma; |
|---|
| 745 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 746 | mso-fareast-theme-font:minor-fareast; |
|---|
| 747 | mso-hansi-font-family:Tahoma; |
|---|
| 748 | mso-bidi-font-family:Tahoma;} |
|---|
| 749 | span.SpellE |
|---|
| 750 | {mso-style-name:""; |
|---|
| 751 | mso-spl-e:yes;} |
|---|
| 752 | span.GramE |
|---|
| 753 | {mso-style-name:""; |
|---|
| 754 | mso-gram-e:yes;} |
|---|
| 755 | .MsoChpDefault |
|---|
| 756 | {mso-style-type:export-only; |
|---|
| 757 | mso-default-props:yes; |
|---|
| 758 | font-size:10.0pt; |
|---|
| 759 | mso-ansi-font-size:10.0pt; |
|---|
| 760 | mso-bidi-font-size:10.0pt; |
|---|
| 761 | font-family:"Calibri","sans-serif"; |
|---|
| 762 | mso-ascii-font-family:Calibri; |
|---|
| 763 | mso-ascii-theme-font:minor-latin; |
|---|
| 764 | mso-fareast-font-family:Calibri; |
|---|
| 765 | mso-fareast-theme-font:minor-latin; |
|---|
| 766 | mso-hansi-font-family:Calibri; |
|---|
| 767 | mso-hansi-theme-font:minor-latin; |
|---|
| 768 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 769 | mso-bidi-theme-font:minor-bidi;} |
|---|
| 770 | @page WordSection1 |
|---|
| 771 | {size:8.5in 11.0in; |
|---|
| 772 | margin:1.0in 1.0in 1.0in 1.0in; |
|---|
| 773 | mso-header-margin:.5in; |
|---|
| 774 | mso-footer-margin:.5in; |
|---|
| 775 | mso-paper-source:0;} |
|---|
| 776 | div.WordSection1 |
|---|
| 777 | {page:WordSection1;} |
|---|
| 778 | /* List Definitions */ |
|---|
| 779 | @list l0 |
|---|
| 780 | {mso-list-id:48263107; |
|---|
| 781 | mso-list-type:hybrid; |
|---|
| 782 | mso-list-template-ids:454311350 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 783 | @list l0:level1 |
|---|
| 784 | {mso-level-tab-stop:none; |
|---|
| 785 | mso-level-number-position:left; |
|---|
| 786 | text-indent:-.25in;} |
|---|
| 787 | @list l0:level2 |
|---|
| 788 | {mso-level-number-format:alpha-lower; |
|---|
| 789 | mso-level-tab-stop:none; |
|---|
| 790 | mso-level-number-position:left; |
|---|
| 791 | text-indent:-.25in;} |
|---|
| 792 | @list l0:level3 |
|---|
| 793 | {mso-level-number-format:roman-lower; |
|---|
| 794 | mso-level-tab-stop:none; |
|---|
| 795 | mso-level-number-position:right; |
|---|
| 796 | text-indent:-9.0pt;} |
|---|
| 797 | @list l0:level4 |
|---|
| 798 | {mso-level-tab-stop:none; |
|---|
| 799 | mso-level-number-position:left; |
|---|
| 800 | text-indent:-.25in;} |
|---|
| 801 | @list l0:level5 |
|---|
| 802 | {mso-level-number-format:alpha-lower; |
|---|
| 803 | mso-level-tab-stop:none; |
|---|
| 804 | mso-level-number-position:left; |
|---|
| 805 | text-indent:-.25in;} |
|---|
| 806 | @list l0:level6 |
|---|
| 807 | {mso-level-number-format:roman-lower; |
|---|
| 808 | mso-level-tab-stop:none; |
|---|
| 809 | mso-level-number-position:right; |
|---|
| 810 | text-indent:-9.0pt;} |
|---|
| 811 | @list l0:level7 |
|---|
| 812 | {mso-level-tab-stop:none; |
|---|
| 813 | mso-level-number-position:left; |
|---|
| 814 | text-indent:-.25in;} |
|---|
| 815 | @list l0:level8 |
|---|
| 816 | {mso-level-number-format:alpha-lower; |
|---|
| 817 | mso-level-tab-stop:none; |
|---|
| 818 | mso-level-number-position:left; |
|---|
| 819 | text-indent:-.25in;} |
|---|
| 820 | @list l0:level9 |
|---|
| 821 | {mso-level-number-format:roman-lower; |
|---|
| 822 | mso-level-tab-stop:none; |
|---|
| 823 | mso-level-number-position:right; |
|---|
| 824 | text-indent:-9.0pt;} |
|---|
| 825 | @list l1 |
|---|
| 826 | {mso-list-id:443815929; |
|---|
| 827 | mso-list-type:hybrid; |
|---|
| 828 | mso-list-template-ids:-766208474 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 829 | @list l1:level1 |
|---|
| 830 | {mso-level-tab-stop:none; |
|---|
| 831 | mso-level-number-position:left; |
|---|
| 832 | text-indent:-.25in;} |
|---|
| 833 | @list l1:level2 |
|---|
| 834 | {mso-level-number-format:alpha-lower; |
|---|
| 835 | mso-level-tab-stop:none; |
|---|
| 836 | mso-level-number-position:left; |
|---|
| 837 | text-indent:-.25in;} |
|---|
| 838 | @list l1:level3 |
|---|
| 839 | {mso-level-number-format:roman-lower; |
|---|
| 840 | mso-level-tab-stop:none; |
|---|
| 841 | mso-level-number-position:right; |
|---|
| 842 | text-indent:-9.0pt;} |
|---|
| 843 | @list l1:level4 |
|---|
| 844 | {mso-level-tab-stop:none; |
|---|
| 845 | mso-level-number-position:left; |
|---|
| 846 | text-indent:-.25in;} |
|---|
| 847 | @list l1:level5 |
|---|
| 848 | {mso-level-number-format:alpha-lower; |
|---|
| 849 | mso-level-tab-stop:none; |
|---|
| 850 | mso-level-number-position:left; |
|---|
| 851 | text-indent:-.25in;} |
|---|
| 852 | @list l1:level6 |
|---|
| 853 | {mso-level-number-format:roman-lower; |
|---|
| 854 | mso-level-tab-stop:none; |
|---|
| 855 | mso-level-number-position:right; |
|---|
| 856 | text-indent:-9.0pt;} |
|---|
| 857 | @list l1:level7 |
|---|
| 858 | {mso-level-tab-stop:none; |
|---|
| 859 | mso-level-number-position:left; |
|---|
| 860 | text-indent:-.25in;} |
|---|
| 861 | @list l1:level8 |
|---|
| 862 | {mso-level-number-format:alpha-lower; |
|---|
| 863 | mso-level-tab-stop:none; |
|---|
| 864 | mso-level-number-position:left; |
|---|
| 865 | text-indent:-.25in;} |
|---|
| 866 | @list l1:level9 |
|---|
| 867 | {mso-level-number-format:roman-lower; |
|---|
| 868 | mso-level-tab-stop:none; |
|---|
| 869 | mso-level-number-position:right; |
|---|
| 870 | text-indent:-9.0pt;} |
|---|
| 871 | @list l2 |
|---|
| 872 | {mso-list-id:608973138; |
|---|
| 873 | mso-list-type:hybrid; |
|---|
| 874 | mso-list-template-ids:-1449999034 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 875 | @list l2:level1 |
|---|
| 876 | {mso-level-tab-stop:none; |
|---|
| 877 | mso-level-number-position:left; |
|---|
| 878 | text-indent:-.25in;} |
|---|
| 879 | @list l2:level2 |
|---|
| 880 | {mso-level-number-format:alpha-lower; |
|---|
| 881 | mso-level-tab-stop:none; |
|---|
| 882 | mso-level-number-position:left; |
|---|
| 883 | text-indent:-.25in;} |
|---|
| 884 | @list l2:level3 |
|---|
| 885 | {mso-level-number-format:roman-lower; |
|---|
| 886 | mso-level-tab-stop:none; |
|---|
| 887 | mso-level-number-position:right; |
|---|
| 888 | text-indent:-9.0pt;} |
|---|
| 889 | @list l2:level4 |
|---|
| 890 | {mso-level-tab-stop:none; |
|---|
| 891 | mso-level-number-position:left; |
|---|
| 892 | text-indent:-.25in;} |
|---|
| 893 | @list l2:level5 |
|---|
| 894 | {mso-level-number-format:alpha-lower; |
|---|
| 895 | mso-level-tab-stop:none; |
|---|
| 896 | mso-level-number-position:left; |
|---|
| 897 | text-indent:-.25in;} |
|---|
| 898 | @list l2:level6 |
|---|
| 899 | {mso-level-number-format:roman-lower; |
|---|
| 900 | mso-level-tab-stop:none; |
|---|
| 901 | mso-level-number-position:right; |
|---|
| 902 | text-indent:-9.0pt;} |
|---|
| 903 | @list l2:level7 |
|---|
| 904 | {mso-level-tab-stop:none; |
|---|
| 905 | mso-level-number-position:left; |
|---|
| 906 | text-indent:-.25in;} |
|---|
| 907 | @list l2:level8 |
|---|
| 908 | {mso-level-number-format:alpha-lower; |
|---|
| 909 | mso-level-tab-stop:none; |
|---|
| 910 | mso-level-number-position:left; |
|---|
| 911 | text-indent:-.25in;} |
|---|
| 912 | @list l2:level9 |
|---|
| 913 | {mso-level-number-format:roman-lower; |
|---|
| 914 | mso-level-tab-stop:none; |
|---|
| 915 | mso-level-number-position:right; |
|---|
| 916 | text-indent:-9.0pt;} |
|---|
| 917 | ol |
|---|
| 918 | {margin-bottom:0in;} |
|---|
| 919 | ul |
|---|
| 920 | {margin-bottom:0in;} |
|---|
| 921 | --> |
|---|
| 922 | </style> |
|---|
| 923 | <!--[if gte mso 10]> |
|---|
| 924 | <style> |
|---|
| 925 | /* Style Definitions */ |
|---|
| 926 | table.MsoNormalTable |
|---|
| 927 | {mso-style-name:"Table Normal"; |
|---|
| 928 | mso-tstyle-rowband-size:0; |
|---|
| 929 | mso-tstyle-colband-size:0; |
|---|
| 930 | mso-style-noshow:yes; |
|---|
| 931 | mso-style-priority:99; |
|---|
| 932 | mso-style-parent:""; |
|---|
| 933 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
|---|
| 934 | mso-para-margin:0in; |
|---|
| 935 | mso-para-margin-bottom:.0001pt; |
|---|
| 936 | mso-pagination:widow-orphan; |
|---|
| 937 | font-size:10.0pt; |
|---|
| 938 | font-family:"Calibri","sans-serif"; |
|---|
| 939 | mso-ascii-font-family:Calibri; |
|---|
| 940 | mso-ascii-theme-font:minor-latin; |
|---|
| 941 | mso-hansi-font-family:Calibri; |
|---|
| 942 | mso-hansi-theme-font:minor-latin; |
|---|
| 943 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 944 | mso-bidi-theme-font:minor-bidi;} |
|---|
| 945 | table.MsoTableGrid |
|---|
| 946 | {mso-style-name:"Table Grid"; |
|---|
| 947 | mso-tstyle-rowband-size:0; |
|---|
| 948 | mso-tstyle-colband-size:0; |
|---|
| 949 | mso-style-priority:59; |
|---|
| 950 | mso-style-unhide:no; |
|---|
| 951 | border:solid windowtext 1.0pt; |
|---|
| 952 | mso-border-alt:solid windowtext .5pt; |
|---|
| 953 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
|---|
| 954 | mso-border-insideh:.5pt solid windowtext; |
|---|
| 955 | mso-border-insidev:.5pt solid windowtext; |
|---|
| 956 | mso-para-margin:0in; |
|---|
| 957 | mso-para-margin-bottom:.0001pt; |
|---|
| 958 | mso-pagination:widow-orphan; |
|---|
| 959 | font-size:11.0pt; |
|---|
| 960 | font-family:"Calibri","sans-serif"; |
|---|
| 961 | mso-ascii-font-family:Calibri; |
|---|
| 962 | mso-ascii-theme-font:minor-latin; |
|---|
| 963 | mso-hansi-font-family:Calibri; |
|---|
| 964 | mso-hansi-theme-font:minor-latin; |
|---|
| 965 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 966 | mso-bidi-theme-font:minor-bidi;} |
|---|
| 967 | table.MsoTableMediumShading2 |
|---|
| 968 | {mso-style-name:"Medium Shading 2"; |
|---|
| 969 | mso-tstyle-rowband-size:1; |
|---|
| 970 | mso-tstyle-colband-size:1; |
|---|
| 971 | mso-style-priority:64; |
|---|
| 972 | mso-style-unhide:no; |
|---|
| 973 | border-top:solid windowtext 2.25pt; |
|---|
| 974 | border-left:none; |
|---|
| 975 | border-bottom:solid windowtext 2.25pt; |
|---|
| 976 | border-right:none; |
|---|
| 977 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
|---|
| 978 | mso-para-margin:0in; |
|---|
| 979 | mso-para-margin-bottom:.0001pt; |
|---|
| 980 | mso-pagination:widow-orphan; |
|---|
| 981 | font-size:11.0pt; |
|---|
| 982 | font-family:"Calibri","sans-serif"; |
|---|
| 983 | mso-ascii-font-family:Calibri; |
|---|
| 984 | mso-ascii-theme-font:minor-latin; |
|---|
| 985 | mso-hansi-font-family:Calibri; |
|---|
| 986 | mso-hansi-theme-font:minor-latin; |
|---|
| 987 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 988 | mso-bidi-theme-font:minor-bidi;} |
|---|
| 989 | table.MsoTableMediumShading2FirstRow |
|---|
| 990 | {mso-style-name:"Medium Shading 2"; |
|---|
| 991 | mso-table-condition:first-row; |
|---|
| 992 | mso-style-priority:64; |
|---|
| 993 | mso-style-unhide:no; |
|---|
| 994 | mso-tstyle-shading:black; |
|---|
| 995 | mso-tstyle-shading-themecolor:text1; |
|---|
| 996 | mso-tstyle-border-top:2.25pt solid windowtext; |
|---|
| 997 | mso-tstyle-border-left:cell-none; |
|---|
| 998 | mso-tstyle-border-bottom:2.25pt solid windowtext; |
|---|
| 999 | mso-tstyle-border-right:cell-none; |
|---|
| 1000 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1001 | mso-tstyle-border-insidev:cell-none; |
|---|
| 1002 | mso-para-margin-top:auto; |
|---|
| 1003 | mso-para-margin-bottom:auto; |
|---|
| 1004 | line-height:normal; |
|---|
| 1005 | color:white; |
|---|
| 1006 | mso-themecolor:background1; |
|---|
| 1007 | mso-ansi-font-weight:bold; |
|---|
| 1008 | mso-bidi-font-weight:bold;} |
|---|
| 1009 | table.MsoTableMediumShading2LastRow |
|---|
| 1010 | {mso-style-name:"Medium Shading 2"; |
|---|
| 1011 | mso-table-condition:last-row; |
|---|
| 1012 | mso-style-priority:64; |
|---|
| 1013 | mso-style-unhide:no; |
|---|
| 1014 | mso-tstyle-shading:white; |
|---|
| 1015 | mso-tstyle-shading-themecolor:background1; |
|---|
| 1016 | mso-tstyle-border-top:2.25pt double windowtext; |
|---|
| 1017 | mso-tstyle-border-left:cell-none; |
|---|
| 1018 | mso-tstyle-border-bottom:2.25pt solid windowtext; |
|---|
| 1019 | mso-tstyle-border-right:cell-none; |
|---|
| 1020 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1021 | mso-tstyle-border-insidev:cell-none; |
|---|
| 1022 | mso-para-margin-top:auto; |
|---|
| 1023 | mso-para-margin-bottom:auto; |
|---|
| 1024 | line-height:normal; |
|---|
| 1025 | color:windowtext;} |
|---|
| 1026 | table.MsoTableMediumShading2FirstCol |
|---|
| 1027 | {mso-style-name:"Medium Shading 2"; |
|---|
| 1028 | mso-table-condition:first-column; |
|---|
| 1029 | mso-style-priority:64; |
|---|
| 1030 | mso-style-unhide:no; |
|---|
| 1031 | mso-tstyle-shading:black; |
|---|
| 1032 | mso-tstyle-shading-themecolor:text1; |
|---|
| 1033 | mso-tstyle-border-top:cell-none; |
|---|
| 1034 | mso-tstyle-border-left:cell-none; |
|---|
| 1035 | mso-tstyle-border-bottom:2.25pt solid windowtext; |
|---|
| 1036 | mso-tstyle-border-right:cell-none; |
|---|
| 1037 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1038 | mso-tstyle-border-insidev:cell-none; |
|---|
| 1039 | color:white; |
|---|
| 1040 | mso-themecolor:background1; |
|---|
| 1041 | mso-ansi-font-weight:bold; |
|---|
| 1042 | mso-bidi-font-weight:bold;} |
|---|
| 1043 | table.MsoTableMediumShading2LastCol |
|---|
| 1044 | {mso-style-name:"Medium Shading 2"; |
|---|
| 1045 | mso-table-condition:last-column; |
|---|
| 1046 | mso-style-priority:64; |
|---|
| 1047 | mso-style-unhide:no; |
|---|
| 1048 | mso-tstyle-shading:black; |
|---|
| 1049 | mso-tstyle-shading-themecolor:text1; |
|---|
| 1050 | mso-tstyle-border-left:cell-none; |
|---|
| 1051 | mso-tstyle-border-right:cell-none; |
|---|
| 1052 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1053 | mso-tstyle-border-insidev:cell-none; |
|---|
| 1054 | color:white; |
|---|
| 1055 | mso-themecolor:background1; |
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| 1056 | mso-ansi-font-weight:bold; |
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| 1057 | mso-bidi-font-weight:bold;} |
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| 1061 | mso-style-priority:64; |
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| 1062 | mso-style-unhide:no; |
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| 1063 | mso-tstyle-shading:#D8D8D8; |
|---|
| 1064 | mso-tstyle-shading-themecolor:background1; |
|---|
| 1065 | mso-tstyle-shading-themeshade:216; |
|---|
| 1066 | mso-tstyle-border-left:cell-none; |
|---|
| 1067 | mso-tstyle-border-right:cell-none; |
|---|
| 1068 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1069 | mso-tstyle-border-insidev:cell-none;} |
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| 1070 | table.MsoTableMediumShading2OddRow |
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| 1071 | {mso-style-name:"Medium Shading 2"; |
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| 1072 | mso-table-condition:odd-row; |
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| 1073 | mso-style-priority:64; |
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| 1074 | mso-style-unhide:no; |
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| 1075 | mso-tstyle-shading:#D8D8D8; |
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| 1076 | mso-tstyle-shading-themecolor:background1; |
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| 1077 | mso-tstyle-shading-themeshade:216;} |
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| 1078 | table.MsoTableMediumShading2NECell |
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| 1079 | {mso-style-name:"Medium Shading 2"; |
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| 1080 | mso-table-condition:ne-cell; |
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| 1081 | mso-style-priority:64; |
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| 1082 | mso-style-unhide:no; |
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| 1083 | mso-tstyle-border-top:2.25pt solid windowtext; |
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| 1084 | mso-tstyle-border-left:cell-none; |
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| 1085 | mso-tstyle-border-bottom:2.25pt solid windowtext; |
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| 1086 | mso-tstyle-border-right:cell-none; |
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| 1087 | mso-tstyle-border-insideh:cell-none; |
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| 1088 | mso-tstyle-border-insidev:cell-none;} |
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| 1089 | table.MsoTableMediumShading2NWCell |
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| 1090 | {mso-style-name:"Medium Shading 2"; |
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| 1091 | mso-table-condition:nw-cell; |
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| 1092 | mso-style-priority:64; |
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| 1093 | mso-style-unhide:no; |
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| 1094 | mso-tstyle-border-top:2.25pt solid windowtext; |
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| 1095 | mso-tstyle-border-left:cell-none; |
|---|
| 1096 | mso-tstyle-border-bottom:2.25pt solid windowtext; |
|---|
| 1097 | mso-tstyle-border-right:cell-none; |
|---|
| 1098 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1099 | mso-tstyle-border-insidev:cell-none; |
|---|
| 1100 | color:white; |
|---|
| 1101 | mso-themecolor:background1;} |
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| 1102 | table.MsoTableMediumShading1Accent6 |
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| 1103 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
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| 1104 | mso-tstyle-rowband-size:1; |
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| 1105 | mso-tstyle-colband-size:1; |
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| 1106 | mso-style-priority:63; |
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| 1107 | mso-style-unhide:no; |
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| 1108 | border:solid #F9B074 1.0pt; |
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| 1109 | mso-border-themecolor:accent6; |
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| 1110 | mso-border-themetint:191; |
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| 1111 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
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| 1112 | mso-border-insideh:1.0pt solid #F9B074; |
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| 1113 | mso-border-insideh-themecolor:accent6; |
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| 1114 | mso-border-insideh-themetint:191; |
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| 1115 | mso-para-margin:0in; |
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| 1116 | mso-para-margin-bottom:.0001pt; |
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| 1117 | mso-pagination:widow-orphan; |
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| 1118 | font-size:11.0pt; |
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| 1119 | font-family:"Calibri","sans-serif"; |
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| 1120 | mso-ascii-font-family:Calibri; |
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| 1121 | mso-ascii-theme-font:minor-latin; |
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| 1122 | mso-hansi-font-family:Calibri; |
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| 1123 | mso-hansi-theme-font:minor-latin; |
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| 1124 | mso-bidi-font-family:"Times New Roman"; |
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| 1125 | mso-bidi-theme-font:minor-bidi;} |
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| 1127 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
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| 1128 | mso-table-condition:first-row; |
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| 1129 | mso-style-priority:63; |
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| 1130 | mso-style-unhide:no; |
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| 1131 | mso-tstyle-shading:#F79646; |
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| 1132 | mso-tstyle-shading-themecolor:accent6; |
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| 1133 | mso-tstyle-border-top:1.0pt solid #F9B074; |
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| 1134 | mso-tstyle-border-top-themecolor:accent6; |
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| 1135 | mso-tstyle-border-top-themetint:191; |
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| 1136 | mso-tstyle-border-left:1.0pt solid #F9B074; |
|---|
| 1137 | mso-tstyle-border-left-themecolor:accent6; |
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| 1138 | mso-tstyle-border-left-themetint:191; |
|---|
| 1139 | mso-tstyle-border-bottom:1.0pt solid #F9B074; |
|---|
| 1140 | mso-tstyle-border-bottom-themecolor:accent6; |
|---|
| 1141 | mso-tstyle-border-bottom-themetint:191; |
|---|
| 1142 | mso-tstyle-border-right:1.0pt solid #F9B074; |
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| 1143 | mso-tstyle-border-right-themecolor:accent6; |
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| 1144 | mso-tstyle-border-right-themetint:191; |
|---|
| 1145 | mso-tstyle-border-insideh:cell-none; |
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| 1146 | mso-tstyle-border-insidev:cell-none; |
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| 1147 | mso-para-margin-top:auto; |
|---|
| 1148 | mso-para-margin-bottom:auto; |
|---|
| 1149 | line-height:normal; |
|---|
| 1150 | color:white; |
|---|
| 1151 | mso-themecolor:background1; |
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| 1152 | mso-ansi-font-weight:bold; |
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| 1153 | mso-bidi-font-weight:bold;} |
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| 1155 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
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| 1156 | mso-table-condition:last-row; |
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| 1157 | mso-style-priority:63; |
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| 1159 | mso-tstyle-border-top:2.25pt double #F9B074; |
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| 1160 | mso-tstyle-border-top-themecolor:accent6; |
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| 1161 | mso-tstyle-border-top-themetint:191; |
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| 1162 | mso-tstyle-border-left:1.0pt solid #F9B074; |
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| 1163 | mso-tstyle-border-left-themecolor:accent6; |
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| 1164 | mso-tstyle-border-left-themetint:191; |
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| 1165 | mso-tstyle-border-bottom:1.0pt solid #F9B074; |
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| 1166 | mso-tstyle-border-bottom-themecolor:accent6; |
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| 1167 | mso-tstyle-border-bottom-themetint:191; |
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| 1168 | mso-tstyle-border-right:1.0pt solid #F9B074; |
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| 1169 | mso-tstyle-border-right-themecolor:accent6; |
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| 1170 | mso-tstyle-border-right-themetint:191; |
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| 1171 | mso-tstyle-border-insideh:cell-none; |
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| 1172 | mso-tstyle-border-insidev:cell-none; |
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| 1173 | mso-para-margin-top:auto; |
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| 1174 | mso-para-margin-bottom:auto; |
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| 1175 | line-height:normal; |
|---|
| 1176 | mso-ansi-font-weight:bold; |
|---|
| 1177 | mso-bidi-font-weight:bold;} |
|---|
| 1178 | table.MsoTableMediumShading1Accent6FirstCol |
|---|
| 1179 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
|---|
| 1180 | mso-table-condition:first-column; |
|---|
| 1181 | mso-style-priority:63; |
|---|
| 1182 | mso-style-unhide:no; |
|---|
| 1183 | mso-ansi-font-weight:bold; |
|---|
| 1184 | mso-bidi-font-weight:bold;} |
|---|
| 1185 | table.MsoTableMediumShading1Accent6LastCol |
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| 1186 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
|---|
| 1187 | mso-table-condition:last-column; |
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| 1188 | mso-style-priority:63; |
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| 1189 | mso-style-unhide:no; |
|---|
| 1190 | mso-ansi-font-weight:bold; |
|---|
| 1191 | mso-bidi-font-weight:bold;} |
|---|
| 1192 | table.MsoTableMediumShading1Accent6OddColumn |
|---|
| 1193 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
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|---|
| 1195 | mso-style-priority:63; |
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| 1196 | mso-style-unhide:no; |
|---|
| 1197 | mso-tstyle-shading:#FDE4D0; |
|---|
| 1198 | mso-tstyle-shading-themecolor:accent6; |
|---|
| 1199 | mso-tstyle-shading-themetint:63;} |
|---|
| 1200 | table.MsoTableMediumShading1Accent6OddRow |
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| 1201 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
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| 1202 | mso-table-condition:odd-row; |
|---|
| 1203 | mso-style-priority:63; |
|---|
| 1204 | mso-style-unhide:no; |
|---|
| 1205 | mso-tstyle-shading:#FDE4D0; |
|---|
| 1206 | mso-tstyle-shading-themecolor:accent6; |
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| 1207 | mso-tstyle-shading-themetint:63; |
|---|
| 1208 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1209 | mso-tstyle-border-insidev:cell-none;} |
|---|
| 1210 | table.MsoTableMediumShading1Accent6EvenRow |
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| 1211 | {mso-style-name:"Medium Shading 1 - Accent 6"; |
|---|
| 1212 | mso-table-condition:even-row; |
|---|
| 1213 | mso-style-priority:63; |
|---|
| 1214 | mso-style-unhide:no; |
|---|
| 1215 | mso-tstyle-border-insideh:cell-none; |
|---|
| 1216 | mso-tstyle-border-insidev:cell-none;} |
|---|
| 1217 | </style> |
|---|
| 1218 | <![endif]--><!--[if gte mso 9]><xml> |
|---|
| 1219 | <o:shapedefaults v:ext="edit" spidmax="1026"/> |
|---|
| 1220 | </xml><![endif]--><!--[if gte mso 9]><xml> |
|---|
| 1221 | <o:shapelayout v:ext="edit"> |
|---|
| 1222 | <o:idmap v:ext="edit" data="1"/> |
|---|
| 1223 | </o:shapelayout></xml><![endif]--> |
|---|
| 1224 | </head> |
|---|
| 1225 | |
|---|
| 1226 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
|---|
| 1227 | |
|---|
| 1228 | <div class=WordSection1> |
|---|
| 1229 | |
|---|
| 1230 | <h1>Combined X-ray/neutron refinement PbSO<sub>4</sub></h1> |
|---|
| 1231 | |
|---|
| 1232 | <p class=MsoNormal>In this training exercise you will refine the structure of |
|---|
| 1233 | lead <span class=SpellE>sulphate</span> using both constant wavelength X-ray |
|---|
| 1234 | and neutron data. The problem here is that the two experiments were done at different |
|---|
| 1235 | temperatures (X-ray at room temperature & neutron at low temperature) so |
|---|
| 1236 | the patterns dont correspond to the same lattice parameters. The structure is |
|---|
| 1237 | orthorhombic with five different atomic sites. The exercise will finish with |
|---|
| 1238 | the generation of the two Fourier maps and you can then see the effects the |
|---|
| 1239 | different neutron scattering lengths and x-ray scattering factors have on the |
|---|
| 1240 | maps. The neutron data was taken on the D1a powder diffractometer at the ILL, |
|---|
| 1241 | Grenoble, France using 1.909Å wavelength neutrons, while the x-ray data was |
|---|
| 1242 | taken on a standard laboratory Bragg-Brentano diffractometer with Cu K<span |
|---|
| 1243 | style='font-family:Symbol'>a</span> radiation.</p> |
|---|
| 1244 | |
|---|
| 1245 | <p class=MsoNormal>We recommend that you do the two exercises <strong><a |
|---|
| 1246 | href="Laboratory%20X.htm"><span style='font-weight:normal'>Lab X-ray powder |
|---|
| 1247 | pattern Rietveld refinement</span></a> </strong><strong><span style='font-weight: |
|---|
| 1248 | normal;mso-bidi-font-weight:bold'>and</span> <a |
|---|
| 1249 | href="Neutron%20CW%20Powder%20Data.htm"><span style='font-weight:normal'>CW |
|---|
| 1250 | Neutron powder pattern Rietveld refinement with constraints</span></a> </strong><strong><span |
|---|
| 1251 | style='font-weight:normal;mso-bidi-font-weight:bold'>first</span>.</strong></p> |
|---|
| 1252 | |
|---|
| 1253 | <p class=MsoNormal>If you have not done so already, <a |
|---|
| 1254 | href="Starting%20GSAS.htm">start GSAS-II</a>.</p> |
|---|
| 1255 | |
|---|
| 1256 | <h2>Step 1: Read in the data files</h2> |
|---|
| 1257 | |
|---|
| 1258 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1259 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1260 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use |
|---|
| 1261 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1262 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1263 | minor-latin'>Import/Powder Data/from GSAS file</span></b> menu item to read the |
|---|
| 1264 | first data file into GSAS-II. This read option is set to read any of the powder |
|---|
| 1265 | data formats (except neutron TOF time map files) defined for GSAS (angles in <span |
|---|
| 1266 | class=SpellE>centidegrees</span>). Other submenu items will read the <span |
|---|
| 1267 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1268 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1269 | minor-latin;mso-bidi-theme-font:minor-latin'>cif</span></b></span> format or |
|---|
| 1270 | the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1271 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1272 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xye</span></b></span> |
|---|
| 1273 | format (angles in degrees) used by <span class=SpellE>Topas</span>, etc.<span |
|---|
| 1274 | style='mso-spacerun:yes'> </span>Change the file directory to <b |
|---|
| 1275 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1276 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1277 | minor-latin'>Exercises/PbSO4</span></b><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1278 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1279 | minor-latin'> to find the file; you will need to change the file type to <b |
|---|
| 1280 | style='mso-bidi-font-weight:normal'>All files (*.*)</b> to find the desired |
|---|
| 1281 | file.</span></p> |
|---|
| 1282 | |
|---|
| 1283 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1284 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1285 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1286 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1287 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1288 | minor-latin'>PBSO4.CWN</span></b><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1289 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1290 | minor-latin'> data</span> file in the file dialog and press <b |
|---|
| 1291 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1292 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1293 | minor-latin'>Open</span></b>. There will be a Dialog box asking <span |
|---|
| 1294 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1295 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1296 | minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b |
|---|
| 1297 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1298 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1299 | minor-latin'> this the file you want?</span></b> Press <span class=GramE><b |
|---|
| 1300 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1301 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1302 | minor-latin'>Yes</span></b></span> button to proceed.</p> |
|---|
| 1303 | |
|---|
| 1304 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1305 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 1306 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1307 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1308 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1309 | minor-latin'>inst_d1a.prm</span></b> instrument parameter file in the second |
|---|
| 1310 | dialog and press <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1311 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1312 | minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>. The plot will |
|---|
| 1313 | show the neutron powder data.</p> |
|---|
| 1314 | |
|---|
| 1315 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1316 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 1317 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Again |
|---|
| 1318 | use <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1319 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1320 | minor-latin'>Data/Read powder data</span></b> menu item to read the second data |
|---|
| 1321 | file into GSAS-II<span class=GramE>; <span style='font-family:"Calibri","sans-serif"; |
|---|
| 1322 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1323 | minor-latin'>;</span></span><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1324 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1325 | minor-latin'> you will need to change the file type to <b style='mso-bidi-font-weight: |
|---|
| 1326 | normal'>All files (*.*)</b> to find the desired file.</span></p> |
|---|
| 1327 | |
|---|
| 1328 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1329 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 1330 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1331 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1332 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1333 | minor-latin'>PBSO4.XRA</span></b><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1334 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1335 | minor-latin'> data</span> file in the file dialog and press <b |
|---|
| 1336 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1337 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1338 | minor-latin'>Open</span></b>. There will be a Dialog box asking <span |
|---|
| 1339 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1340 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1341 | minor-latin;mso-bidi-theme-font:minor-latin'>Is</span></b></span><b |
|---|
| 1342 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1343 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1344 | minor-latin'> this the file you want?</span></b> Press <span class=GramE><b |
|---|
| 1345 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1346 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1347 | minor-latin'>Yes</span></b></span> button to proceed.</p> |
|---|
| 1348 | |
|---|
| 1349 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo2'><![if !supportLists]><span |
|---|
| 1350 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span |
|---|
| 1351 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1352 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1353 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1354 | minor-latin'>INST_XRY.PRM</span></b> instrument parameter file in the second |
|---|
| 1355 | dialog and press <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1356 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1357 | minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>. The plot will |
|---|
| 1358 | show both data sets; the x-ray one as green <b style='mso-bidi-font-weight: |
|---|
| 1359 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1360 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>+</span></b> |
|---|
| 1361 | marks and the neutron one as a blue curve.</p> |
|---|
| 1362 | |
|---|
| 1363 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype |
|---|
| 1364 | id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t" |
|---|
| 1365 | path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f"> |
|---|
| 1366 | <v:stroke joinstyle="miter"/> |
|---|
| 1367 | <v:formulas> |
|---|
| 1368 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
|---|
| 1369 | <v:f eqn="sum @0 1 0"/> |
|---|
| 1370 | <v:f eqn="sum 0 0 @1"/> |
|---|
| 1371 | <v:f eqn="prod @2 1 2"/> |
|---|
| 1372 | <v:f eqn="prod @3 21600 pixelWidth"/> |
|---|
| 1373 | <v:f eqn="prod @3 21600 pixelHeight"/> |
|---|
| 1374 | <v:f eqn="sum @0 0 1"/> |
|---|
| 1375 | <v:f eqn="prod @6 1 2"/> |
|---|
| 1376 | <v:f eqn="prod @7 21600 pixelWidth"/> |
|---|
| 1377 | <v:f eqn="sum @8 21600 0"/> |
|---|
| 1378 | <v:f eqn="prod @7 21600 pixelHeight"/> |
|---|
| 1379 | <v:f eqn="sum @10 21600 0"/> |
|---|
| 1380 | </v:formulas> |
|---|
| 1381 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
|---|
| 1382 | <o:lock v:ext="edit" aspectratio="t"/> |
|---|
| 1383 | </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_i1039" type="#_x0000_t75" |
|---|
| 1384 | style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1385 | <v:imagedata src="Combined%20refinement_files/image001.png" o:title=""/> |
|---|
| 1386 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1387 | src="Combined%20refinement_files/image001.png" v:shapes="Picture_x0020_2"><![endif]></span></p> |
|---|
| 1388 | |
|---|
| 1389 | <p class=MsoNormal>If you set the focus on the plot (press a mouse button with |
|---|
| 1390 | the cursor in the plot frame) and then press <b style='mso-bidi-font-weight: |
|---|
| 1391 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1392 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>q</span></b>, |
|---|
| 1393 | the plot will be redrawn with q(=2<span style='font-family:Symbol'>p</span>/d) |
|---|
| 1394 | as the x-axis putting both data sets on the same scale for easier comparison.</p> |
|---|
| 1395 | |
|---|
| 1396 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1397 | id="Picture_x0020_1" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:525pt; |
|---|
| 1398 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1399 | <v:imagedata src="Combined%20refinement_files/image002.png" o:title=""/> |
|---|
| 1400 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1401 | src="Combined%20refinement_files/image002.png" v:shapes="Picture_x0020_1"><![endif]></span></p> |
|---|
| 1402 | |
|---|
| 1403 | <p class=MsoNormal>Now two sets of vertical dashed lines show the limits for |
|---|
| 1404 | each one. The <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1405 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1406 | minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b> now |
|---|
| 1407 | has two sets of <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1408 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1409 | minor-latin;mso-bidi-theme-font:minor-latin'>PWDR</span></b> entries; they can |
|---|
| 1410 | be distinguished by their different data set names. Ive expanded the window so |
|---|
| 1411 | the entire data tree is shown here.</p> |
|---|
| 1412 | |
|---|
| 1413 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1414 | id="Picture_x0020_3" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:288.75pt; |
|---|
| 1415 | height:415.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1416 | <v:imagedata src="Combined%20refinement_files/image003.png" o:title=""/> |
|---|
| 1417 | </v:shape><![endif]--><![if !vml]><img border=0 width=385 height=554 |
|---|
| 1418 | src="Combined%20refinement_files/image003.png" v:shapes="Picture_x0020_3"><![endif]></span></p> |
|---|
| 1419 | |
|---|
| 1420 | <h2><span class=GramE>Step 2.</span> Enter the phase information for PbSO<sub>4</sub></h2> |
|---|
| 1421 | |
|---|
| 1422 | <p class=MsoNormal>Lead <span class=SpellE>sulphate</span> has the same |
|---|
| 1423 | structure as BaSO<sub>4</sub>; we will start with the crystallographic |
|---|
| 1424 | information given in <span class=SpellE>Wycoff</span> (Crystal Structures <span |
|---|
| 1425 | class=SpellE>Vol</span> 3, p 46). The space group is <b style='mso-bidi-font-weight: |
|---|
| 1426 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1427 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>P |
|---|
| 1428 | n m a</span></b> (dont forget the spaces between the axial fields) with a = <b |
|---|
| 1429 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1430 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1431 | minor-latin'>8.480</span></b>, b = <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1432 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1433 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>5.398</span></b> |
|---|
| 1434 | and c = <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1435 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1436 | minor-latin'>6.958</span></b>. The coordinates given by <span class=SpellE>Wycoff</span> |
|---|
| 1437 | are</p> |
|---|
| 1438 | |
|---|
| 1439 | <table class=MsoTableGrid border=1 cellspacing=0 cellpadding=0 |
|---|
| 1440 | style='border-collapse:collapse;border:none;mso-border-alt:solid windowtext .5pt; |
|---|
| 1441 | mso-yfti-tbllook:1184;mso-padding-alt:0in 5.4pt 0in 5.4pt'> |
|---|
| 1442 | <tr style='mso-yfti-irow:0;mso-yfti-firstrow:yes;height:14.25pt'> |
|---|
| 1443 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1444 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1445 | <p class=MsoNormal align=center style='text-align:center'>Type</p> |
|---|
| 1446 | </td> |
|---|
| 1447 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1448 | border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt: |
|---|
| 1449 | solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1450 | <p class=MsoNormal align=center style='text-align:center'>X</p> |
|---|
| 1451 | </td> |
|---|
| 1452 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1453 | border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt: |
|---|
| 1454 | solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1455 | <p class=MsoNormal align=center style='text-align:center'>Y</p> |
|---|
| 1456 | </td> |
|---|
| 1457 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1458 | border-left:none;mso-border-left-alt:solid windowtext .5pt;mso-border-alt: |
|---|
| 1459 | solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1460 | <p class=MsoNormal align=center style='text-align:center'>Z</p> |
|---|
| 1461 | </td> |
|---|
| 1462 | </tr> |
|---|
| 1463 | <tr style='mso-yfti-irow:1;height:14.25pt'> |
|---|
| 1464 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1465 | border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt; |
|---|
| 1466 | padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1467 | <p class=MsoNormal align=center style='text-align:center'><span class=SpellE>Pb</span></p> |
|---|
| 1468 | </td> |
|---|
| 1469 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1470 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1471 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1472 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1473 | <p class=MsoNormal align=center style='text-align:center'>0.1882</p> |
|---|
| 1474 | </td> |
|---|
| 1475 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1476 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1477 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1478 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1479 | <p class=MsoNormal align=center style='text-align:center'>0.25</p> |
|---|
| 1480 | </td> |
|---|
| 1481 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1482 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1483 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1484 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1485 | <p class=MsoNormal align=center style='text-align:center'>0.167</p> |
|---|
| 1486 | </td> |
|---|
| 1487 | </tr> |
|---|
| 1488 | <tr style='mso-yfti-irow:2;height:14.25pt'> |
|---|
| 1489 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1490 | border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt; |
|---|
| 1491 | padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1492 | <p class=MsoNormal align=center style='text-align:center'>S</p> |
|---|
| 1493 | </td> |
|---|
| 1494 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1495 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1496 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1497 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1498 | <p class=MsoNormal align=center style='text-align:center'>0.063</p> |
|---|
| 1499 | </td> |
|---|
| 1500 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1501 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1502 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1503 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1504 | <p class=MsoNormal align=center style='text-align:center'>0.25</p> |
|---|
| 1505 | </td> |
|---|
| 1506 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1507 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1508 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1509 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1510 | <p class=MsoNormal align=center style='text-align:center'>0.686</p> |
|---|
| 1511 | </td> |
|---|
| 1512 | </tr> |
|---|
| 1513 | <tr style='mso-yfti-irow:3;height:14.25pt'> |
|---|
| 1514 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1515 | border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt; |
|---|
| 1516 | padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1517 | <p class=MsoNormal align=center style='text-align:center'>O</p> |
|---|
| 1518 | </td> |
|---|
| 1519 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1520 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1521 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1522 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1523 | <p class=MsoNormal align=center style='text-align:center'>-0.095</p> |
|---|
| 1524 | </td> |
|---|
| 1525 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1526 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1527 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1528 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1529 | <p class=MsoNormal align=center style='text-align:center'>0.25</p> |
|---|
| 1530 | </td> |
|---|
| 1531 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1532 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1533 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1534 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1535 | <p class=MsoNormal align=center style='text-align:center'>0.600</p> |
|---|
| 1536 | </td> |
|---|
| 1537 | </tr> |
|---|
| 1538 | <tr style='mso-yfti-irow:4;height:14.25pt'> |
|---|
| 1539 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1540 | border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt; |
|---|
| 1541 | padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1542 | <p class=MsoNormal align=center style='text-align:center'>O</p> |
|---|
| 1543 | </td> |
|---|
| 1544 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1545 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1546 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1547 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1548 | <p class=MsoNormal align=center style='text-align:center'>0.181</p> |
|---|
| 1549 | </td> |
|---|
| 1550 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1551 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1552 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1553 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1554 | <p class=MsoNormal align=center style='text-align:center'>0.25</p> |
|---|
| 1555 | </td> |
|---|
| 1556 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1557 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1558 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1559 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1560 | <p class=MsoNormal align=center style='text-align:center'>0.543</p> |
|---|
| 1561 | </td> |
|---|
| 1562 | </tr> |
|---|
| 1563 | <tr style='mso-yfti-irow:5;mso-yfti-lastrow:yes;height:14.25pt'> |
|---|
| 1564 | <td width=103 valign=top style='width:77.4pt;border:solid windowtext 1.0pt; |
|---|
| 1565 | border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt; |
|---|
| 1566 | padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1567 | <p class=MsoNormal align=center style='text-align:center'>O</p> |
|---|
| 1568 | </td> |
|---|
| 1569 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1570 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1571 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1572 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1573 | <p class=MsoNormal align=center style='text-align:center'>0.085</p> |
|---|
| 1574 | </td> |
|---|
| 1575 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1576 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1577 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1578 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1579 | <p class=MsoNormal align=center style='text-align:center'>0.026</p> |
|---|
| 1580 | </td> |
|---|
| 1581 | <td width=103 valign=top style='width:77.4pt;border-top:none;border-left: |
|---|
| 1582 | none;border-bottom:solid windowtext 1.0pt;border-right:solid windowtext 1.0pt; |
|---|
| 1583 | mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt; |
|---|
| 1584 | mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt;height:14.25pt'> |
|---|
| 1585 | <p class=MsoNormal align=center style='text-align:center'>0.806</p> |
|---|
| 1586 | </td> |
|---|
| 1587 | </tr> |
|---|
| 1588 | </table> |
|---|
| 1589 | |
|---|
| 1590 | <p class=MsoNormal>Begin by selecting <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1591 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1592 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data/Add |
|---|
| 1593 | phase</span></b> in the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1594 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1595 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data |
|---|
| 1596 | tree</span></b> menu, use <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1597 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1598 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PbSO4</span></b> |
|---|
| 1599 | for the phase name and then fill in the space group and lattice parameters in |
|---|
| 1600 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1601 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1602 | minor-latin'>General</span></b> tab of the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1603 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1604 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase data |
|---|
| 1605 | for PbSO4</span></b> window. When done, you should have</p> |
|---|
| 1606 | |
|---|
| 1607 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1608 | id="Picture_x0020_4" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:486pt; |
|---|
| 1609 | height:214.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1610 | <v:imagedata src="Combined%20refinement_files/image004.png" o:title=""/> |
|---|
| 1611 | </v:shape><![endif]--><![if !vml]><img border=0 width=648 height=286 |
|---|
| 1612 | src="Combined%20refinement_files/image004.png" v:shapes="Picture_x0020_4"><![endif]></span></p> |
|---|
| 1613 | |
|---|
| 1614 | <p class=MsoNormal>Next select the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1615 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1616 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> |
|---|
| 1617 | tab, select <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1618 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1619 | minor-latin;mso-bidi-theme-font:minor-latin'>Edit/Append</span></b> atom 5 |
|---|
| 1620 | times to fill in sufficient blank atoms for this structure. Then fill in the |
|---|
| 1621 | atom <b 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'>Type</span></b> and <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1624 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1625 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>xyz</span></b> |
|---|
| 1626 | positions. When done, you should have</p> |
|---|
| 1627 | |
|---|
| 1628 | <p class=MsoNormal><span style='mso-spacerun:yes'> </span><span |
|---|
| 1629 | style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" |
|---|
| 1630 | o:spid="_x0000_i1035" type="#_x0000_t75" style='width:525pt;height:225pt; |
|---|
| 1631 | visibility:visible;mso-wrap-style:square'> |
|---|
| 1632 | <v:imagedata src="Combined%20refinement_files/image005.png" o:title=""/> |
|---|
| 1633 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=300 |
|---|
| 1634 | src="Combined%20refinement_files/image005.png" v:shapes="Picture_x0020_5"><![endif]></span></p> |
|---|
| 1635 | |
|---|
| 1636 | <h2><span class=GramE>Step 3.</span> Add data to the phase</h2> |
|---|
| 1637 | |
|---|
| 1638 | <p class=MsoNormal>Next you have to select the powder patterns to be used for |
|---|
| 1639 | the PbSO<sub>4</sub> phase. To start select the <b style='mso-bidi-font-weight: |
|---|
| 1640 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1641 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b> |
|---|
| 1642 | tab of the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1643 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1644 | minor-latin;mso-bidi-theme-font:minor-latin'>Phase data for PbSO4</span></b> |
|---|
| 1645 | window. Then select the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1646 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1647 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit/Add |
|---|
| 1648 | powder data</span></b> menu item; select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1649 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1650 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>All PWDR</span></b> |
|---|
| 1651 | to include both patterns and press <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1652 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1653 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>. |
|---|
| 1654 | The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1655 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1656 | minor-latin'>Phase data for PBSO4</span></b> window will list both patterns </p> |
|---|
| 1657 | |
|---|
| 1658 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1659 | id="Picture_x0020_6" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:282.75pt; |
|---|
| 1660 | height:202.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1661 | <v:imagedata src="Combined%20refinement_files/image006.png" o:title=""/> |
|---|
| 1662 | </v:shape><![endif]--><![if !vml]><img border=0 width=377 height=270 |
|---|
| 1663 | src="Combined%20refinement_files/image006.png" v:shapes="Picture_x0020_6"><![endif]></span></p> |
|---|
| 1664 | |
|---|
| 1665 | <h2><span class=GramE>Step 4.</span> 1<sup>st</sup> Rietveld refinement</h2> |
|---|
| 1666 | |
|---|
| 1667 | <p class=MsoNormal>Now do a preliminary Rietveld refinement; GSAS-II will first |
|---|
| 1668 | ask for a project file name. We assume NXPbSO4.gpx is used (dont put in the |
|---|
| 1669 | extension). The refinement will finish with Rwp~26% for the neutron data and |
|---|
| 1670 | Rwp~39% for the X-ray pattern. Now look closely at the fit. The plot should be |
|---|
| 1671 | in q and with just one pattern selected (use <b style='mso-bidi-font-weight: |
|---|
| 1672 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1673 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>q</span></b> |
|---|
| 1674 | <span class=GramE>and <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'>s</span></b></span> |
|---|
| 1677 | options on the plot to get there). Although the fit is poor, the calculated |
|---|
| 1678 | peaks appear to be close to the right positions in the x-ray pattern</p> |
|---|
| 1679 | |
|---|
| 1680 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1681 | id="Picture_x0020_9" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt; |
|---|
| 1682 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1683 | <v:imagedata src="Combined%20refinement_files/image007.png" o:title=""/> |
|---|
| 1684 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1685 | src="Combined%20refinement_files/image007.png" v:shapes="Picture_x0020_9"><![endif]></span></p> |
|---|
| 1686 | |
|---|
| 1687 | <p class=MsoNormal><span class=GramE>but</span> are shifted to lower q in the |
|---|
| 1688 | neutron pattern.</p> |
|---|
| 1689 | |
|---|
| 1690 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1691 | id="Picture_x0020_8" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt; |
|---|
| 1692 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1693 | <v:imagedata src="Combined%20refinement_files/image008.png" o:title=""/> |
|---|
| 1694 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1695 | src="Combined%20refinement_files/image008.png" v:shapes="Picture_x0020_8"><![endif]></span></p> |
|---|
| 1696 | |
|---|
| 1697 | <p class=MsoNormal>This is the result of thermal expansion of PbSO4 and the |
|---|
| 1698 | lower temperature used for the neutron data collection.</p> |
|---|
| 1699 | |
|---|
| 1700 | <h2><span class=GramE>Step 5.</span> Select some parameters and 2<sup>nd</sup> |
|---|
| 1701 | Rietveld refinement</h2> |
|---|
| 1702 | |
|---|
| 1703 | <p class=MsoNormal>To improve the refinement you should first select the <b |
|---|
| 1704 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1705 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1706 | minor-latin'>Refine unit cell</span></b> in the <b style='mso-bidi-font-weight: |
|---|
| 1707 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1708 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> |
|---|
| 1709 | tab of the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1710 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1711 | minor-latin;mso-bidi-theme-font:minor-latin'>Phase data for PbSO4</span></b> |
|---|
| 1712 | window and then select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1713 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1714 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Refine</span></b> |
|---|
| 1715 | in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1716 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1717 | minor-latin'>GSAS-II data tree</span></b> window. The neutron <span |
|---|
| 1718 | class=SpellE>Rwp</span> will improve (~25%) but the x-ray <span class=SpellE>Rwp</span> |
|---|
| 1719 | will be a bit worse (~41%) as the least squares seeks a global minimum.</p> |
|---|
| 1720 | |
|---|
| 1721 | <h2><span class=GramE>Step 6.</span> Allow for thermal expansion and 3<sup>rd</sup> |
|---|
| 1722 | Rietveld refinement</h2> |
|---|
| 1723 | |
|---|
| 1724 | <p class=MsoNormal>In GSAS-II there are explicit parameters for thermal |
|---|
| 1725 | strain; find them in the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1726 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1727 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b> |
|---|
| 1728 | tab in the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1729 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1730 | minor-latin;mso-bidi-theme-font:minor-latin'>Phase data for PbSO4</span></b> |
|---|
| 1731 | window. Check the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1732 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1733 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Show</span></b> |
|---|
| 1734 | button for the neutron data. Ive expanded the window slightly to see |
|---|
| 1735 | everything</p> |
|---|
| 1736 | |
|---|
| 1737 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1738 | id="_x0000_i1031" type="#_x0000_t75" style='width:359.25pt;height:372pt; |
|---|
| 1739 | visibility:visible;mso-wrap-style:square'> |
|---|
| 1740 | <v:imagedata src="Combined%20refinement_files/image009.png" o:title=""/> |
|---|
| 1741 | </v:shape><![endif]--><![if !vml]><img border=0 width=479 height=496 |
|---|
| 1742 | src="Combined%20refinement_files/image009.png" v:shapes="_x0000_i1031"><![endif]></span></p> |
|---|
| 1743 | |
|---|
| 1744 | <p class=MsoNormal>Select the three parameters (<b style='mso-bidi-font-weight: |
|---|
| 1745 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1746 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>D11</span></b>, |
|---|
| 1747 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1748 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1749 | minor-latin'>D22</span></b> and <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1750 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1751 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>D33</span></b>) |
|---|
| 1752 | under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1753 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1754 | minor-latin'>Hydrostatic/Elastic strain</span></b> for refinement and do |
|---|
| 1755 | another Rietveld refinement. There is immediate improvement for both data sets; |
|---|
| 1756 | the neutron Rwp~11% and the x-ray Rwp~31%. Moreover, the peaks are in the right |
|---|
| 1757 | places for both data sets, although the shapes arent right. We will deal with |
|---|
| 1758 | them next.</p> |
|---|
| 1759 | |
|---|
| 1760 | <h2><span class=GramE>Step 7.</span> Crystallite size and <span class=SpellE>mustrain</span> |
|---|
| 1761 | selection and 4<sup>th</sup> Rietveld refinement</h2> |
|---|
| 1762 | |
|---|
| 1763 | <p class=MsoNormal>The peak shapes are affected by sample broadening; the |
|---|
| 1764 | relevant parameters are found in the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1765 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1766 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b> |
|---|
| 1767 | tab of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1768 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1769 | minor-latin'>Phase data for PbSO4</span></b> window. There is a set for each |
|---|
| 1770 | powder pattern. However, the neutron data is of much lower resolution than the |
|---|
| 1771 | x-ray data and is thus less sensitive to sample broadening effects. Select <span |
|---|
| 1772 | class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1773 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1774 | minor-latin;mso-bidi-theme-font:minor-latin'>Cryst</span></b></span><b |
|---|
| 1775 | 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'>. <span class=GramE>size(</span></span></b><b style='mso-bidi-font-weight: |
|---|
| 1778 | normal'><span style='font-family:Symbol;mso-bidi-font-family:Calibri; |
|---|
| 1779 | mso-bidi-theme-font:minor-latin'>m</span></b><b style='mso-bidi-font-weight: |
|---|
| 1780 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1781 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>m)</span></b> |
|---|
| 1782 | and <span class=SpellE><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1783 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1784 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>microstrain</span></b></span> |
|---|
| 1785 | only for the x-ray data (2 parameters) and then do another Rietveld refinement. |
|---|
| 1786 | The x-ray fit is significantly improved (Rwp~17%) while the neutron fit is |
|---|
| 1787 | unchanged (Rwp~11%). Examine the two plots in detail; the neutron plot shows |
|---|
| 1788 | mostly differences in peak intensity and the x-ray data shows differences in |
|---|
| 1789 | peak positions.</p> |
|---|
| 1790 | |
|---|
| 1791 | <h2><span class=GramE>Step 8.</span> Structure and x-ray sample displacement |
|---|
| 1792 | and 5<sup>th</sup> Rietveld refinement</h2> |
|---|
| 1793 | |
|---|
| 1794 | <p class=MsoNormal>The peak intensity differences in the neutron case are more |
|---|
| 1795 | apparent than in the x-ray case because all atoms contribute about equally to |
|---|
| 1796 | the neutron scattering, while the <span class=SpellE>Pb</span> atom dominates |
|---|
| 1797 | the x-ray pattern. On the other hand, the sample position in a Bragg-Brentano |
|---|
| 1798 | diffractometer is almost never properly located tangent to the focusing circle. |
|---|
| 1799 | So well refine these things next.</p> |
|---|
| 1800 | |
|---|
| 1801 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
|---|
| 1802 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1803 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1804 | the <b 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'>PWDR PBSO4.XRA: BANK1</span></b> item in the <b style='mso-bidi-font-weight: |
|---|
| 1807 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1808 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II |
|---|
| 1809 | data tree</span></b> and select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1810 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1811 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample |
|---|
| 1812 | Parameters</span></b>. Check <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1813 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1814 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Sample |
|---|
| 1815 | displacement</span></b> for refinement.</p> |
|---|
| 1816 | |
|---|
| 1817 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
|---|
| 1818 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1819 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 1820 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1821 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1822 | minor-latin'>Phases/PbSO4</span></b> in the <b style='mso-bidi-font-weight: |
|---|
| 1823 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1824 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II |
|---|
| 1825 | data tree</span></b> and select the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1826 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1827 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Atoms</span></b> |
|---|
| 1828 | tab. Double click the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1829 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1830 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>refine</span></b> |
|---|
| 1831 | column heading. Select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1832 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1833 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>X</span></b> |
|---|
| 1834 | and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1835 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1836 | minor-latin'>U</span></b> for refinement and press <b style='mso-bidi-font-weight: |
|---|
| 1837 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1838 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>.</p> |
|---|
| 1839 | |
|---|
| 1840 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo4'><![if !supportLists]><span |
|---|
| 1841 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 1842 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Do |
|---|
| 1843 | the Rietveld refinement. The fit improves on both patterns; <span class=SpellE>Rwp</span>=8.23% |
|---|
| 1844 | for the neutron data and <span class=SpellE>Rwp</span>=12.26% for the x-ray |
|---|
| 1845 | data.</p> |
|---|
| 1846 | |
|---|
| 1847 | <h2><span class=GramE>Step 9.</span> Instrument parameters <span |
|---|
| 1848 | class=Heading2Char><span style='font-weight:normal'>a</span></span>nd 6<sup>th</sup> |
|---|
| 1849 | Rietveld refinement</h2> |
|---|
| 1850 | |
|---|
| 1851 | <p class=MsoNormal>Finally (perhaps), we can do the refinement of the <b |
|---|
| 1852 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1853 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1854 | minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1855 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1856 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>V</span></b> |
|---|
| 1857 | and & <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1858 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 1859 | minor-latin'>W</span></b> Gaussian profile parameters for both data sets and |
|---|
| 1860 | the neutron <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1861 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1862 | minor-latin;mso-bidi-theme-font:minor-latin'>Zero</span></b> point. These are |
|---|
| 1863 | found in the Instrument Parameters item under each <b style='mso-bidi-font-weight: |
|---|
| 1864 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1865 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>PWDR</span></b> |
|---|
| 1866 | entry in the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1867 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1868 | minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data tree</span></b>. |
|---|
| 1869 | Dont refine the x-ray <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1870 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1871 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Zero</span></b>, |
|---|
| 1872 | that isnt usually the problem if the instrument is reasonably well cared for |
|---|
| 1873 | (zero calibration makes it 0.001<span style='font-family:Symbol;mso-ascii-font-family: |
|---|
| 1874 | "Times New Roman";mso-hansi-font-family:"Times New Roman";mso-char-type:symbol; |
|---|
| 1875 | mso-symbol-font-family:Symbol'><span style='mso-char-type:symbol;mso-symbol-font-family: |
|---|
| 1876 | Symbol'>°</span></span> or better). Additional changes to consider are to move |
|---|
| 1877 | the lower limit on the x-ray and neutron data to just below the 1<sup>st</sup> |
|---|
| 1878 | peak, set the upper limit to the gap just below the end of the neutron pattern. |
|---|
| 1879 | With this the final <span class=SpellE>Rwp</span>=5.55% for the neutron data |
|---|
| 1880 | and <span class=SpellE>Rwp</span>=11.26% for the x-ray data. The x-ray plot is</p> |
|---|
| 1881 | |
|---|
| 1882 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1883 | id="Picture_x0020_10" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:525pt; |
|---|
| 1884 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1885 | <v:imagedata src="Combined%20refinement_files/image010.png" o:title=""/> |
|---|
| 1886 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1887 | src="Combined%20refinement_files/image010.png" v:shapes="Picture_x0020_10"><![endif]></span></p> |
|---|
| 1888 | |
|---|
| 1889 | <p class=MsoNormal>I adjusted the plot with the <b style='mso-bidi-font-weight: |
|---|
| 1890 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1891 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Pan</span></b> |
|---|
| 1892 | <span class=GramE>button</span> and repositioned the reflection tick marks; |
|---|
| 1893 | they can be dragged anywhere with the mouse. The neutron pattern looks like</p> |
|---|
| 1894 | |
|---|
| 1895 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1896 | id="_x0000_i1029" type="#_x0000_t75" style='width:525pt;height:450pt; |
|---|
| 1897 | visibility:visible;mso-wrap-style:square'> |
|---|
| 1898 | <v:imagedata src="Combined%20refinement_files/image011.png" o:title=""/> |
|---|
| 1899 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1900 | src="Combined%20refinement_files/image011.png" v:shapes="_x0000_i1029"><![endif]></span></p> |
|---|
| 1901 | |
|---|
| 1902 | <p class=MsoNormal>Again I repositioned the plot and the reflection tick marks. |
|---|
| 1903 | The console contains the complete refinement results (some lines have been |
|---|
| 1904 | trimmed).</p> |
|---|
| 1905 | |
|---|
| 1906 | <p class=MsoNormal><span style='font-size:8.0pt;font-family:"Courier New"'>Refinement |
|---|
| 1907 | results:<br> |
|---|
| 1908 | -----------------------------------------------------------------------------------------------------<br> |
|---|
| 1909 | Number of function calls: 12<span style='mso-spacerun:yes'> </span>Number of |
|---|
| 1910 | observations:<span style='mso-spacerun:yes'> </span>8546<span |
|---|
| 1911 | style='mso-spacerun:yes'> </span>Number of parameters:<span |
|---|
| 1912 | style='mso-spacerun:yes'> </span>40<br> |
|---|
| 1913 | Refinement time =<span style='mso-spacerun:yes'> </span>13.272s,<span |
|---|
| 1914 | style='mso-spacerun:yes'> </span>3.318s/cycle, for 4 cycles<br> |
|---|
| 1915 | <span class=SpellE>wRp</span> =<span style='mso-spacerun:yes'> </span>7.36%, |
|---|
| 1916 | chi**2 =<span style='mso-spacerun:yes'> </span>54212.2, reduced chi**2 |
|---|
| 1917 | =<span style='mso-spacerun:yes'> </span>6.37<br> |
|---|
| 1918 | <br> |
|---|
| 1919 | Phases:<br> |
|---|
| 1920 | Result for phase:<span style='mso-spacerun:yes'> </span>PbSO4<br> |
|---|
| 1921 | Reciprocal metric tensor:<br> |
|---|
| 1922 | <span style='mso-spacerun:yes'> </span>names :<span |
|---|
| 1923 | style='mso-spacerun:yes'> </span>A11<span |
|---|
| 1924 | style='mso-spacerun:yes'> </span>A22<span |
|---|
| 1925 | style='mso-spacerun:yes'> </span>A33<span |
|---|
| 1926 | style='mso-spacerun:yes'> </span>A12<span |
|---|
| 1927 | style='mso-spacerun:yes'> </span>A13<span |
|---|
| 1928 | style='mso-spacerun:yes'> </span><span |
|---|
| 1929 | style='mso-spacerun:yes'> </span>A23<br> |
|---|
| 1930 | <span style='mso-spacerun:yes'> </span>values:<span |
|---|
| 1931 | style='mso-spacerun:yes'> </span>0.013899931<span |
|---|
| 1932 | style='mso-spacerun:yes'> </span>0.034297294<span |
|---|
| 1933 | style='mso-spacerun:yes'> </span>0.020635291<span |
|---|
| 1934 | style='mso-spacerun:yes'> </span>0.000000000<span |
|---|
| 1935 | style='mso-spacerun:yes'> </span>0.000000000<span |
|---|
| 1936 | style='mso-spacerun:yes'> </span>0.000000000<br> |
|---|
| 1937 | <span style='mso-spacerun:yes'> </span><span class=SpellE>esds</span><span |
|---|
| 1938 | style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 1939 | </span>0.000000382<span style='mso-spacerun:yes'> </span>0.000000955<span |
|---|
| 1940 | style='mso-spacerun:yes'> </span>0.000000578<br> |
|---|
| 1941 | New unit cell:<br> |
|---|
| 1942 | <span style='mso-spacerun:yes'> </span>names :<span |
|---|
| 1943 | style='mso-spacerun:yes'> </span>a<span |
|---|
| 1944 | style='mso-spacerun:yes'> </span>b<span |
|---|
| 1945 | style='mso-spacerun:yes'> </span>c<span |
|---|
| 1946 | style='mso-spacerun:yes'> </span>alpha<span |
|---|
| 1947 | style='mso-spacerun:yes'> </span>beta<span |
|---|
| 1948 | style='mso-spacerun:yes'> </span>gamma<span |
|---|
| 1949 | style='mso-spacerun:yes'> </span>Volume<br> |
|---|
| 1950 | <span style='mso-spacerun:yes'> </span>values:<span |
|---|
| 1951 | style='mso-spacerun:yes'> </span>8.481910<span style='mso-spacerun:yes'> |
|---|
| 1952 | </span>5.399705<span style='mso-spacerun:yes'> </span>6.961370<span |
|---|
| 1953 | style='mso-spacerun:yes'> </span>90.0000<span style='mso-spacerun:yes'> |
|---|
| 1954 | </span>90.0000<span style='mso-spacerun:yes'> </span>90.0000<span |
|---|
| 1955 | style='mso-spacerun:yes'> </span>318.829<br> |
|---|
| 1956 | <span style='mso-spacerun:yes'> </span><span class=SpellE>esds</span><span |
|---|
| 1957 | style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 1958 | </span>0.000117<span style='mso-spacerun:yes'> </span>0.000075<span |
|---|
| 1959 | style='mso-spacerun:yes'> </span>0.000097<span |
|---|
| 1960 | style='mso-spacerun:yes'> |
|---|
| 1961 | </span>0.008<br> |
|---|
| 1962 | <br> |
|---|
| 1963 | Atoms:<br> |
|---|
| 1964 | <span style='mso-spacerun:yes'> </span>name<span |
|---|
| 1965 | style='mso-spacerun:yes'> </span>x<span style='mso-spacerun:yes'> |
|---|
| 1966 | </span>y<span style='mso-spacerun:yes'> </span>z<span |
|---|
| 1967 | style='mso-spacerun:yes'> </span><span class=SpellE>frac</span><span |
|---|
| 1968 | style='mso-spacerun:yes'> </span><span class=SpellE>Uiso</span><span |
|---|
| 1969 | style='mso-spacerun:yes'> </span>U11<span style='mso-spacerun:yes'> |
|---|
| 1970 | </span>U22<span style='mso-spacerun:yes'> </span>U33<span |
|---|
| 1971 | style='mso-spacerun:yes'> </span>U12<span style='mso-spacerun:yes'> |
|---|
| 1972 | </span>U13<span style='mso-spacerun:yes'> </span>U23<br> |
|---|
| 1973 | -------------------------------------------------------------------------------------------------------<br> |
|---|
| 1974 | <span style='mso-spacerun:yes'> </span><span class=SpellE>Pb</span>(1)<span |
|---|
| 1975 | style='mso-spacerun:yes'> </span><span class=SpellE>Pb</span>:<br> |
|---|
| 1976 | values:<span style='mso-spacerun:yes'> </span>0.18745<span |
|---|
| 1977 | style='mso-spacerun:yes'> </span>0.25000<span style='mso-spacerun:yes'> |
|---|
| 1978 | </span>0.16713<span style='mso-spacerun:yes'> </span>1.000 0.01857<br> |
|---|
| 1979 | sig<span style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 1980 | </span>0.00008<span style='mso-spacerun:yes'> </span>0.00012<span |
|---|
| 1981 | style='mso-spacerun:yes'> </span>0.00023<br> |
|---|
| 1982 | <span style='mso-spacerun:yes'> </span>S(2)<span |
|---|
| 1983 | style='mso-spacerun:yes'> </span>S:<br> |
|---|
| 1984 | values:<span style='mso-spacerun:yes'> </span>0.06448<span |
|---|
| 1985 | style='mso-spacerun:yes'> </span>0.25000<span style='mso-spacerun:yes'> |
|---|
| 1986 | </span>0.68365<span style='mso-spacerun:yes'> </span>1.000 0.00651<br> |
|---|
| 1987 | sig<span style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 1988 | </span>0.00031<span style='mso-spacerun:yes'> </span>0.00042<span |
|---|
| 1989 | style='mso-spacerun:yes'> </span>0.00061<br> |
|---|
| 1990 | <span style='mso-spacerun:yes'> </span>O(3)<span |
|---|
| 1991 | style='mso-spacerun:yes'> </span>O:<br> |
|---|
| 1992 | values:<span style='mso-spacerun:yes'> </span>-0.09305<span |
|---|
| 1993 | style='mso-spacerun:yes'> </span>0.25000<span style='mso-spacerun:yes'> |
|---|
| 1994 | </span>0.59559<span style='mso-spacerun:yes'> </span>1.000 0.02160<br> |
|---|
| 1995 | sig<span style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 1996 | </span>0.00023<span style='mso-spacerun:yes'> </span>0.00025<span |
|---|
| 1997 | style='mso-spacerun:yes'> </span><span |
|---|
| 1998 | style='mso-spacerun:yes'> </span>0.00052<br> |
|---|
| 1999 | <span style='mso-spacerun:yes'> </span>O(4)<span |
|---|
| 2000 | style='mso-spacerun:yes'> </span>O:<br> |
|---|
| 2001 | values:<span style='mso-spacerun:yes'> </span>0.19403<span |
|---|
| 2002 | style='mso-spacerun:yes'> </span>0.25000<span style='mso-spacerun:yes'> |
|---|
| 2003 | </span>0.54251<span style='mso-spacerun:yes'> </span>1.000 0.01468<br> |
|---|
| 2004 | sig<span style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 2005 | </span>0.00022<span style='mso-spacerun:yes'> </span>0.00029<span |
|---|
| 2006 | style='mso-spacerun:yes'> </span>0.00048<br> |
|---|
| 2007 | <span style='mso-spacerun:yes'> </span>O(5)<span |
|---|
| 2008 | style='mso-spacerun:yes'> </span>O:<br> |
|---|
| 2009 | values:<span style='mso-spacerun:yes'> </span>0.08069<span |
|---|
| 2010 | style='mso-spacerun:yes'> </span>0.02720<span style='mso-spacerun:yes'> |
|---|
| 2011 | </span>0.80909<span style='mso-spacerun:yes'> </span>1.000 0.01418<br> |
|---|
| 2012 | sig<span style='mso-spacerun:yes'> </span>:<span style='mso-spacerun:yes'> |
|---|
| 2013 | </span>0.00014<span style='mso-spacerun:yes'> </span>0.00020<span |
|---|
| 2014 | style='mso-spacerun:yes'> </span>0.00018<span |
|---|
| 2015 | style='mso-spacerun:yes'> </span>0.00033<br> |
|---|
| 2016 | <br> |
|---|
| 2017 | Phase:<span style='mso-spacerun:yes'> </span>PbSO4<span |
|---|
| 2018 | style='mso-spacerun:yes'> </span>in histogram:<span style='mso-spacerun:yes'> |
|---|
| 2019 | </span>PWDR PBSO4.CWN: BANK1<br> |
|---|
| 2020 | --------------------------------------------------------------------------------------------------------<br> |
|---|
| 2021 | Final refinement RF, RF^2 = 4.08%, 6.29% on 198 reflections<br> |
|---|
| 2022 | <br> |
|---|
| 2023 | Hydrostatic/elastic strain:<br> |
|---|
| 2024 | name<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2025 | style='mso-spacerun:yes'> </span>D11<span |
|---|
| 2026 | style='mso-spacerun:yes'> </span>D22<span |
|---|
| 2027 | style='mso-spacerun:yes'> </span>D33<br> |
|---|
| 2028 | value : -0.00309215 -0.00804206 -0.00468287<br> |
|---|
| 2029 | sig<span style='mso-spacerun:yes'> </span>: 3.11453e-05 7.85973e-05 |
|---|
| 2030 | 4.95176e-05<br> |
|---|
| 2031 | <br> |
|---|
| 2032 | Phase:<span style='mso-spacerun:yes'> </span>PbSO4<span |
|---|
| 2033 | style='mso-spacerun:yes'> </span>in histogram:<span style='mso-spacerun:yes'> |
|---|
| 2034 | </span>PWDR PBSO4.XRA: BANK1<br> |
|---|
| 2035 | ---------------------------------------------------------------------------------------------------------<br> |
|---|
| 2036 | Final refinement RF, RF^2 = 100.00%, 100.00% on 384 reflections<br> |
|---|
| 2037 | <br> |
|---|
| 2038 | Size model:<span style='mso-spacerun:yes'> </span>isotropic |
|---|
| 2039 | equatorial:<span style='mso-spacerun:yes'> </span>0.199, sig:<span |
|---|
| 2040 | style='mso-spacerun:yes'> </span>0.197 LG mix <span class=SpellE>coeff</span>.:<span |
|---|
| 2041 | style='mso-spacerun:yes'> </span>1.0000<br> |
|---|
| 2042 | <br> |
|---|
| 2043 | <span class=SpellE>Mustrain</span> model: isotropic equatorial:<span |
|---|
| 2044 | style='mso-spacerun:yes'> </span>1621.8, sig:<span |
|---|
| 2045 | style='mso-spacerun:yes'> </span>90.0 LG mix <span class=SpellE>coeff</span>.:<span |
|---|
| 2046 | style='mso-spacerun:yes'> </span>1.0000<br> |
|---|
| 2047 | <br> |
|---|
| 2048 | Histogram:<span style='mso-spacerun:yes'> </span>PWDR PBSO4.CWN: BANK1<span |
|---|
| 2049 | style='mso-spacerun:yes'> </span>histogram Id:<span style='mso-spacerun:yes'> |
|---|
| 2050 | </span>0<br> |
|---|
| 2051 | ---------------------------------------------------------------------------------------------------------<br> |
|---|
| 2052 | Final refinement <span class=SpellE>wRp</span> = 5.55% on 2723 observations in |
|---|
| 2053 | this histogram<br> |
|---|
| 2054 | Instrument type:<span style='mso-spacerun:yes'> </span>Debye-Scherrer<br> |
|---|
| 2055 | <br> |
|---|
| 2056 | Sample Parameters:<br> |
|---|
| 2057 | names :<span style='mso-spacerun:yes'> </span>Scale<span |
|---|
| 2058 | style='mso-spacerun:yes'> </span>Absorption<span |
|---|
| 2059 | style='mso-spacerun:yes'> </span><span class=SpellE>DisplaceX</span><span |
|---|
| 2060 | style='mso-spacerun:yes'> </span><span class=SpellE>DisplaceY</span><br> |
|---|
| 2061 | values:<span style='mso-spacerun:yes'> </span>8555.3713<span |
|---|
| 2062 | style='mso-spacerun:yes'> </span>0.0000<span |
|---|
| 2063 | style='mso-spacerun:yes'> </span>0.0000<span |
|---|
| 2064 | style='mso-spacerun:yes'> </span>0.0000<br> |
|---|
| 2065 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2066 | style='mso-spacerun:yes'> </span>32.0092<br> |
|---|
| 2067 | <br> |
|---|
| 2068 | Instrument Parameters:<br> |
|---|
| 2069 | names :<span style='mso-spacerun:yes'> </span>Lam<span |
|---|
| 2070 | style='mso-spacerun:yes'> </span>Zero<span style='mso-spacerun:yes'> |
|---|
| 2071 | </span><span class=SpellE>Polariz</span>.<span |
|---|
| 2072 | style='mso-spacerun:yes'> </span>U<span |
|---|
| 2073 | style='mso-spacerun:yes'> </span>V<span |
|---|
| 2074 | style='mso-spacerun:yes'> </span>W<span |
|---|
| 2075 | style='mso-spacerun:yes'> </span>X<span |
|---|
| 2076 | style='mso-spacerun:yes'> </span>Y<span style='mso-spacerun:yes'> |
|---|
| 2077 | </span><br> |
|---|
| 2078 | value :<span style='mso-spacerun:yes'> </span>1.909000<span |
|---|
| 2079 | style='mso-spacerun:yes'> </span>-0.128689<span style='mso-spacerun:yes'> |
|---|
| 2080 | </span>0.000000<span style='mso-spacerun:yes'> </span>279.279204 |
|---|
| 2081 | -763.938553<span style='mso-spacerun:yes'> </span>750.528985<span |
|---|
| 2082 | style='mso-spacerun:yes'> </span>0.001000<span style='mso-spacerun:yes'> |
|---|
| 2083 | </span>0.001000<span style='mso-spacerun:yes'> </span><br> |
|---|
| 2084 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2085 | style='mso-spacerun:yes'> </span>0.001134<span |
|---|
| 2086 | style='mso-spacerun:yes'> </span>7.041652<span |
|---|
| 2087 | style='mso-spacerun:yes'> </span>15.355314<span style='mso-spacerun:yes'> |
|---|
| 2088 | </span>7.638548<br> |
|---|
| 2089 | <br> |
|---|
| 2090 | Background function:<span style='mso-spacerun:yes'> </span><span class=SpellE>chebyschev</span><br> |
|---|
| 2091 | value :<span style='mso-spacerun:yes'> </span>190.9<span |
|---|
| 2092 | style='mso-spacerun:yes'> </span>0.7465 -0.002595<br> |
|---|
| 2093 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2094 | style='mso-spacerun:yes'> </span>1.147<span style='mso-spacerun:yes'> |
|---|
| 2095 | </span>0.03841 0.0002927<br> |
|---|
| 2096 | <br> |
|---|
| 2097 | Histogram:<span style='mso-spacerun:yes'> </span>PWDR PBSO4.XRA: BANK1<span |
|---|
| 2098 | style='mso-spacerun:yes'> </span>histogram Id:<span style='mso-spacerun:yes'> |
|---|
| 2099 | </span>1<br> |
|---|
| 2100 | ---------------------------------------------------------------------------------------------------------<br> |
|---|
| 2101 | Final refinement <span class=SpellE>wRp</span> = 11.26% on 5823 observations in |
|---|
| 2102 | this histogram<br> |
|---|
| 2103 | Instrument type:<span style='mso-spacerun:yes'> </span>Bragg-Brentano<br> |
|---|
| 2104 | <br> |
|---|
| 2105 | Sample Parameters:<br> |
|---|
| 2106 | names :<span style='mso-spacerun:yes'> </span>Scale<span |
|---|
| 2107 | style='mso-spacerun:yes'> </span>Shift<span style='mso-spacerun:yes'> |
|---|
| 2108 | </span>Transparency<br> |
|---|
| 2109 | values:<span style='mso-spacerun:yes'> </span>9.8653<span |
|---|
| 2110 | style='mso-spacerun:yes'> </span>33.1555<span |
|---|
| 2111 | style='mso-spacerun:yes'> </span>0.0000<br> |
|---|
| 2112 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2113 | style='mso-spacerun:yes'> </span>0.0332<span |
|---|
| 2114 | style='mso-spacerun:yes'> </span>0.7352<br> |
|---|
| 2115 | <br> |
|---|
| 2116 | Instrument Parameters:<br> |
|---|
| 2117 | names :<span style='mso-spacerun:yes'> </span>Lam1<span |
|---|
| 2118 | style='mso-spacerun:yes'> </span>Lam2<span |
|---|
| 2119 | style='mso-spacerun:yes'> </span>Zero I(L2)/I(L1)<span |
|---|
| 2120 | style='mso-spacerun:yes'> </span><span class=SpellE>Polariz</span>.<span |
|---|
| 2121 | style='mso-spacerun:yes'> </span>U<span |
|---|
| 2122 | style='mso-spacerun:yes'> </span>V<span |
|---|
| 2123 | style='mso-spacerun:yes'> </span>W<span style='mso-spacerun:yes'> |
|---|
| 2124 | </span><br> |
|---|
| 2125 | <span class=GramE>value :</span><span style='mso-spacerun:yes'> |
|---|
| 2126 | </span>1.540500<span style='mso-spacerun:yes'> </span>1.544300<span |
|---|
| 2127 | style='mso-spacerun:yes'> </span>0.000000<span style='mso-spacerun:yes'> |
|---|
| 2128 | </span>0.500000<span style='mso-spacerun:yes'> </span>0.700000<span |
|---|
| 2129 | style='mso-spacerun:yes'> </span>-2.297447<span style='mso-spacerun:yes'> |
|---|
| 2130 | </span>-5.838506<span style='mso-spacerun:yes'> </span>7.992602<span |
|---|
| 2131 | style='mso-spacerun:yes'> </span><br> |
|---|
| 2132 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2133 | style='mso-spacerun:yes'> |
|---|
| 2134 | </span>0.625559<span style='mso-spacerun:yes'> </span>1.704050<span |
|---|
| 2135 | style='mso-spacerun:yes'> </span>0.647490<br> |
|---|
| 2136 | <br> |
|---|
| 2137 | Background function:<span style='mso-spacerun:yes'> </span><span class=SpellE>chebyschev</span><br> |
|---|
| 2138 | value :<span style='mso-spacerun:yes'> </span>103.9<span |
|---|
| 2139 | style='mso-spacerun:yes'> </span>-0.6181<span style='mso-spacerun:yes'> |
|---|
| 2140 | </span>0.01061<br> |
|---|
| 2141 | sig<span style='mso-spacerun:yes'> </span>:<span |
|---|
| 2142 | style='mso-spacerun:yes'> </span>1.381<span style='mso-spacerun:yes'> |
|---|
| 2143 | </span>0.04817 0.0003236<br> |
|---|
| 2144 | <br> |
|---|
| 2145 | ----------------------------------------------------------------------------------------------------------<o:p></o:p></span></p> |
|---|
| 2146 | |
|---|
| 2147 | <h2><span class=GramE>Step 10.</span> Fourier calculations and display</h2> |
|---|
| 2148 | |
|---|
| 2149 | <p class=MsoNormal>At the completion of the Rietveld refinement, one of the |
|---|
| 2150 | final processing steps is to extract a set of structure factors for each phase |
|---|
| 2151 | in each powder pattern used in the calculation. These can be found in |
|---|
| 2152 | Reflection Lists in each PWDR item in the GSAS-II data tree. For example, the |
|---|
| 2153 | one for the x-ray data is</p> |
|---|
| 2154 | |
|---|
| 2155 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 2156 | id="Picture_x0020_12" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:492.75pt; |
|---|
| 2157 | height:262.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 2158 | <v:imagedata src="Combined%20refinement_files/image012.png" o:title=""/> |
|---|
| 2159 | </v:shape><![endif]--><![if !vml]><img border=0 width=657 height=350 |
|---|
| 2160 | src="Combined%20refinement_files/image012.png" v:shapes="Picture_x0020_12"><![endif]></span></p> |
|---|
| 2161 | |
|---|
| 2162 | <p class=MsoNormal>Ive widened the window so you can see all the columns that |
|---|
| 2163 | are given. With the values of the structure factors and their phases we can now |
|---|
| 2164 | construct density maps for both neutrons and x-rays.</p> |
|---|
| 2165 | |
|---|
| 2166 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2167 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2168 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 2169 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2170 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2171 | minor-latin'>Phases/PbSO4</span></b> from the <b style='mso-bidi-font-weight: |
|---|
| 2172 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2173 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II |
|---|
| 2174 | data tree</span></b>. In the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 2175 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 2176 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Fourier map |
|---|
| 2177 | controls</span></b> section near the bottom, select <b style='mso-bidi-font-weight: |
|---|
| 2178 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2179 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Fobs</span></b> |
|---|
| 2180 | for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2181 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2182 | minor-latin'>Map type</span></b>.</p> |
|---|
| 2183 | |
|---|
| 2184 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2185 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2186 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 2187 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2188 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2189 | minor-latin'>PWDR PBSO4.CWN: BANK1</span></b> for the <b style='mso-bidi-font-weight: |
|---|
| 2190 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2191 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Reflection |
|---|
| 2192 | set</span></b>.</p> |
|---|
| 2193 | |
|---|
| 2194 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2195 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2196 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Change |
|---|
| 2197 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2198 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2199 | minor-latin'>Resolution</span></b> to <b style='mso-bidi-font-weight:normal'><span |
|---|
| 2200 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 2201 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>0.5</span></b>. |
|---|
| 2202 | This will mean that the map points will be 0.5A apart along all three axial |
|---|
| 2203 | directions.</p> |
|---|
| 2204 | |
|---|
| 2205 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2206 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2207 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 2208 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2209 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2210 | minor-latin'>Compute/Fourier map</span></b> from the <b style='mso-bidi-font-weight: |
|---|
| 2211 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2212 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> |
|---|
| 2213 | menu. A map will immediately be calculated via fast Fourier transform |
|---|
| 2214 | techniques. If the project is saved, this map will be included in the project |
|---|
| 2215 | file. The console gives a few lines of output:</p> |
|---|
| 2216 | |
|---|
| 2217 | <p class=MsoListParagraphCxSpMiddle><o:p> </o:p></p> |
|---|
| 2218 | |
|---|
| 2219 | <p class=MsoListParagraphCxSpMiddle><span style='font-size:8.0pt;font-family: |
|---|
| 2220 | "Courier New"'>Fourier map time: 0.0500 no. elements: 25920<br> |
|---|
| 2221 | Fobs computed: <span class=SpellE>rhomax</span> = 3.239 <span class=SpellE>rhomin</span> |
|---|
| 2222 | = -0.474 sigma = 0.295 <o:p></o:p></span></p> |
|---|
| 2223 | |
|---|
| 2224 | <p class=MsoListParagraphCxSpMiddle><o:p> </o:p></p> |
|---|
| 2225 | |
|---|
| 2226 | <p class=MsoListParagraphCxSpMiddle><span class=GramE>and</span> the plot shows |
|---|
| 2227 | the structure (4 atoms) and a blue dot which is the highest density point in |
|---|
| 2228 | the map. <b style='mso-bidi-font-weight:normal'>NB</b>: it might be hidden |
|---|
| 2229 | underneath at atom.</p> |
|---|
| 2230 | |
|---|
| 2231 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2232 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 2233 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 2234 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2235 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2236 | minor-latin'>Draw Options</span></b> in the <b style='mso-bidi-font-weight: |
|---|
| 2237 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2238 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Phase |
|---|
| 2239 | data for PbSO4</span></b> window. Note the additional controls that have |
|---|
| 2240 | appeared</p> |
|---|
| 2241 | |
|---|
| 2242 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 2243 | id="Picture_x0020_13" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:274.5pt; |
|---|
| 2244 | height:296.25pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 2245 | <v:imagedata src="Combined%20refinement_files/image013.png" o:title=""/> |
|---|
| 2246 | </v:shape><![endif]--><![if !vml]><img border=0 width=366 height=395 |
|---|
| 2247 | src="Combined%20refinement_files/image013.png" v:shapes="Picture_x0020_13"><![endif]></span></p> |
|---|
| 2248 | |
|---|
| 2249 | <p class=MsoListParagraphCxSpMiddle>You can lower the contour level and then |
|---|
| 2250 | rotate the drawing around (hold down left mouse button or the mouse wheel) to |
|---|
| 2251 | see the neutron scattering density. It helps to reduce the van der Waals scale |
|---|
| 2252 | to see the density underneath the atoms. You can also slide the structure (hold |
|---|
| 2253 | down right mouse button) to put it where the density is drawn and turning the |
|---|
| 2254 | mouse wheel controls the camera distance (e.g. zoom).</p> |
|---|
| 2255 | |
|---|
| 2256 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'> |
|---|
| 2257 | <img border=0 width=620 height=534 |
|---|
| 2258 | src="Combined%20refinement_files/image015.jpg" v:shapes="Picture_x0020_14"></span></p> |
|---|
| 2259 | |
|---|
| 2260 | <p class=MsoListParagraphCxSpMiddle>Notice that the density (size of point |
|---|
| 2261 | really a small octahedron) is higher at the <span class=SpellE>Pb</span> atom |
|---|
| 2262 | & lowest for the S atom; these are in proportion to their neutron |
|---|
| 2263 | scattering lengths.</p> |
|---|
| 2264 | |
|---|
| 2265 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
|---|
| 2266 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span |
|---|
| 2267 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Now |
|---|
| 2268 | lets try the same thing for the x-ray data. Select the <b style='mso-bidi-font-weight: |
|---|
| 2269 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2270 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> |
|---|
| 2271 | tab in <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2272 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2273 | minor-latin'>Phase data for PbSO4</span></b> window. Choose <b |
|---|
| 2274 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 2275 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
|---|
| 2276 | minor-latin'>PWDR PBSO4.XRA: BANK1</span></b> for the <b style='mso-bidi-font-weight: |
|---|
| 2277 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 2278 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Reflection |
|---|
| 2279 | set</span></b>. Then select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 2280 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 2281 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Compute/Fourier |
|---|
| 2282 | map</span></b> from the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 2283 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 2284 | mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>General</span></b> |
|---|
| 2285 | menu. A map will be immediately calculated; this will replace the neutron map |
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| 2286 | with the newly made x-ray map. If the project is saved then this map will be in |
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| 2287 | the project. The plot will be redrawn showing the atoms and a small blue dot.</p> |
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| 2288 | |
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| 2289 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo6'><![if !supportLists]><span |
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| 2290 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span |
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| 2291 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Again |
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| 2292 | select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
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| 2293 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: |
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| 2294 | minor-latin'>Draw Options</span></b> tab, adjust the <b style='mso-bidi-font-weight: |
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| 2295 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
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| 2296 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Contour |
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| 2297 | level</span></b> and move the drawing around to your liking.</p> |
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| 2298 | |
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| 2299 | <p class=MsoListParagraphCxSpMiddle><span style='mso-no-proof:yes'> |
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| 2300 | <img border=0 width=620 height=532 |
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| 2301 | src="Combined%20refinement_files/image017.jpg" v:shapes="Picture_x0020_15"></span></p> |
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| 2302 | |
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| 2303 | <p class=MsoListParagraphCxSpMiddle>This time only the <span class=SpellE>Pb</span> |
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| 2304 | atoms can be seen in the density map, the S atoms are barely visible at the |
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| 2305 | lowest contour level setting and the O atoms are invisible. This is also |
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| 2306 | expected based on the relative x-ray scattering power of these atoms; <span |
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| 2307 | class=SpellE>Pb</span> with 82 e<sup>-</sup> far <span class=SpellE>outscatters</span> |
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| 2308 | S (16 e<sup>-</sup>) and O (8 e<sup>-</sup>).</p> |
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| 2309 | |
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| 2310 | <p class=MsoListParagraphCxSpLast><o:p> </o:p></p> |
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| 2311 | |
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| 2312 | </div> |
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| 2313 | |
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| 2314 | </body> |
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| 2315 | |
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| 2316 | </html> |
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