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| 22 | <title>Help for GSAS-II</title> |
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| 24 | <o:DocumentProperties> |
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| 25 | <o:Author>Von Dreele</o:Author> |
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| 26 | <o:LastAuthor>Von Dreele</o:LastAuthor> |
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| 27 | <o:Revision>94</o:Revision> |
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| 28 | <o:TotalTime>2877</o:TotalTime> |
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| 29 | <o:Created>2011-11-28T16:49:00Z</o:Created> |
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| 34 | <o:Company>Argonne National Laboratory</o:Company> |
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|---|
| 307 | UnhideWhenUsed="false" Name="Light List Accent 6"/> |
|---|
| 308 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
|---|
| 309 | UnhideWhenUsed="false" Name="Light Grid Accent 6"/> |
|---|
| 310 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
|---|
| 311 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 6"/> |
|---|
| 312 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
|---|
| 313 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 6"/> |
|---|
| 314 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
|---|
| 315 | UnhideWhenUsed="false" Name="Medium List 1 Accent 6"/> |
|---|
| 316 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
|---|
| 317 | UnhideWhenUsed="false" Name="Medium List 2 Accent 6"/> |
|---|
| 318 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
|---|
| 319 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 6"/> |
|---|
| 320 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
|---|
| 321 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 6"/> |
|---|
| 322 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
|---|
| 323 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 6"/> |
|---|
| 324 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
|---|
| 325 | UnhideWhenUsed="false" Name="Dark List Accent 6"/> |
|---|
| 326 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
|---|
| 327 | UnhideWhenUsed="false" Name="Colorful Shading Accent 6"/> |
|---|
| 328 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
|---|
| 329 | UnhideWhenUsed="false" Name="Colorful List Accent 6"/> |
|---|
| 330 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
|---|
| 331 | UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/> |
|---|
| 332 | <w:LsdException Locked="false" Priority="19" SemiHidden="false" |
|---|
| 333 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Emphasis"/> |
|---|
| 334 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
|---|
| 335 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
|---|
| 336 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
|---|
| 337 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
|---|
| 338 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
|---|
| 339 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
|---|
| 340 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
|---|
| 341 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
|---|
| 342 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
|---|
| 343 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
|---|
| 344 | </w:LatentStyles> |
|---|
| 345 | </xml><![endif]--> |
|---|
| 346 | <style> |
|---|
| 347 | <!-- |
|---|
| 348 | /* Font Definitions */ |
|---|
| 349 | @font-face |
|---|
| 350 | {font-family:"Cambria Math"; |
|---|
| 351 | panose-1:2 4 5 3 5 4 6 3 2 4; |
|---|
| 352 | mso-font-charset:0; |
|---|
| 353 | mso-generic-font-family:roman; |
|---|
| 354 | mso-font-pitch:variable; |
|---|
| 355 | mso-font-signature:-536870145 1107305727 0 0 415 0;} |
|---|
| 356 | @font-face |
|---|
| 357 | {font-family:Cambria; |
|---|
| 358 | panose-1:2 4 5 3 5 4 6 3 2 4; |
|---|
| 359 | mso-font-charset:0; |
|---|
| 360 | mso-generic-font-family:roman; |
|---|
| 361 | mso-font-pitch:variable; |
|---|
| 362 | mso-font-signature:-536870145 1073743103 0 0 415 0;} |
|---|
| 363 | @font-face |
|---|
| 364 | {font-family:Tahoma; |
|---|
| 365 | panose-1:2 11 6 4 3 5 4 4 2 4; |
|---|
| 366 | mso-font-charset:0; |
|---|
| 367 | mso-generic-font-family:swiss; |
|---|
| 368 | mso-font-pitch:variable; |
|---|
| 369 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
|---|
| 370 | /* Style Definitions */ |
|---|
| 371 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
|---|
| 372 | {mso-style-unhide:no; |
|---|
| 373 | mso-style-qformat:yes; |
|---|
| 374 | mso-style-parent:""; |
|---|
| 375 | margin:0in; |
|---|
| 376 | margin-bottom:.0001pt; |
|---|
| 377 | mso-pagination:widow-orphan; |
|---|
| 378 | font-size:12.0pt; |
|---|
| 379 | font-family:"Times New Roman","serif"; |
|---|
| 380 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 381 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 382 | h1 |
|---|
| 383 | {mso-style-priority:9; |
|---|
| 384 | mso-style-unhide:no; |
|---|
| 385 | mso-style-qformat:yes; |
|---|
| 386 | mso-style-link:"Heading 1 Char"; |
|---|
| 387 | mso-margin-top-alt:auto; |
|---|
| 388 | margin-right:0in; |
|---|
| 389 | mso-margin-bottom-alt:auto; |
|---|
| 390 | margin-left:0in; |
|---|
| 391 | mso-pagination:widow-orphan; |
|---|
| 392 | mso-outline-level:1; |
|---|
| 393 | font-size:24.0pt; |
|---|
| 394 | font-family:"Times New Roman","serif"; |
|---|
| 395 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 396 | mso-fareast-theme-font:minor-fareast; |
|---|
| 397 | font-weight:bold;} |
|---|
| 398 | h2 |
|---|
| 399 | {mso-style-priority:9; |
|---|
| 400 | mso-style-unhide:no; |
|---|
| 401 | mso-style-qformat:yes; |
|---|
| 402 | mso-style-link:"Heading 2 Char"; |
|---|
| 403 | mso-margin-top-alt:auto; |
|---|
| 404 | margin-right:0in; |
|---|
| 405 | mso-margin-bottom-alt:auto; |
|---|
| 406 | margin-left:0in; |
|---|
| 407 | mso-pagination:widow-orphan; |
|---|
| 408 | mso-outline-level:2; |
|---|
| 409 | font-size:18.0pt; |
|---|
| 410 | font-family:"Times New Roman","serif"; |
|---|
| 411 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 412 | mso-fareast-theme-font:minor-fareast; |
|---|
| 413 | font-weight:bold;} |
|---|
| 414 | h3 |
|---|
| 415 | {mso-style-priority:9; |
|---|
| 416 | mso-style-unhide:no; |
|---|
| 417 | mso-style-qformat:yes; |
|---|
| 418 | mso-style-link:"Heading 3 Char"; |
|---|
| 419 | mso-margin-top-alt:auto; |
|---|
| 420 | margin-right:0in; |
|---|
| 421 | mso-margin-bottom-alt:auto; |
|---|
| 422 | margin-left:0in; |
|---|
| 423 | mso-pagination:widow-orphan; |
|---|
| 424 | mso-outline-level:3; |
|---|
| 425 | font-size:13.5pt; |
|---|
| 426 | font-family:"Times New Roman","serif"; |
|---|
| 427 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 428 | mso-fareast-theme-font:minor-fareast; |
|---|
| 429 | font-weight:bold;} |
|---|
| 430 | h4 |
|---|
| 431 | {mso-style-noshow:yes; |
|---|
| 432 | mso-style-priority:9; |
|---|
| 433 | mso-style-qformat:yes; |
|---|
| 434 | mso-style-link:"Heading 4 Char"; |
|---|
| 435 | mso-style-next:Normal; |
|---|
| 436 | margin-top:10.0pt; |
|---|
| 437 | margin-right:0in; |
|---|
| 438 | margin-bottom:0in; |
|---|
| 439 | margin-left:0in; |
|---|
| 440 | margin-bottom:.0001pt; |
|---|
| 441 | mso-pagination:widow-orphan lines-together; |
|---|
| 442 | page-break-after:avoid; |
|---|
| 443 | mso-outline-level:4; |
|---|
| 444 | font-size:13.0pt; |
|---|
| 445 | font-family:"Cambria","serif"; |
|---|
| 446 | mso-ascii-font-family:Cambria; |
|---|
| 447 | mso-ascii-theme-font:major-latin; |
|---|
| 448 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 449 | mso-fareast-theme-font:major-fareast; |
|---|
| 450 | mso-hansi-font-family:Cambria; |
|---|
| 451 | mso-hansi-theme-font:major-latin; |
|---|
| 452 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 453 | mso-bidi-theme-font:major-bidi; |
|---|
| 454 | color:#4F81BD; |
|---|
| 455 | mso-themecolor:accent1; |
|---|
| 456 | font-weight:bold; |
|---|
| 457 | font-style:italic;} |
|---|
| 458 | h5 |
|---|
| 459 | {mso-style-noshow:yes; |
|---|
| 460 | mso-style-priority:9; |
|---|
| 461 | mso-style-qformat:yes; |
|---|
| 462 | mso-style-link:"Heading 5 Char"; |
|---|
| 463 | mso-margin-top-alt:auto; |
|---|
| 464 | margin-right:0in; |
|---|
| 465 | mso-margin-bottom-alt:auto; |
|---|
| 466 | margin-left:0in; |
|---|
| 467 | mso-pagination:widow-orphan; |
|---|
| 468 | mso-outline-level:5; |
|---|
| 469 | font-size:12.0pt; |
|---|
| 470 | font-family:"Times New Roman","serif"; |
|---|
| 471 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 472 | mso-fareast-theme-font:minor-fareast; |
|---|
| 473 | color:#4F4FFF; |
|---|
| 474 | font-weight:bold;} |
|---|
| 475 | p.MsoTitle, li.MsoTitle, div.MsoTitle |
|---|
| 476 | {mso-style-noshow:yes; |
|---|
| 477 | mso-style-priority:10; |
|---|
| 478 | mso-style-unhide:no; |
|---|
| 479 | mso-style-qformat:yes; |
|---|
| 480 | mso-style-link:"Title Char"; |
|---|
| 481 | mso-style-next:Normal; |
|---|
| 482 | margin-top:0in; |
|---|
| 483 | margin-right:0in; |
|---|
| 484 | margin-bottom:15.0pt; |
|---|
| 485 | margin-left:0in; |
|---|
| 486 | mso-add-space:auto; |
|---|
| 487 | mso-pagination:widow-orphan; |
|---|
| 488 | border:none; |
|---|
| 489 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
|---|
| 490 | mso-border-bottom-themecolor:accent1; |
|---|
| 491 | padding:0in; |
|---|
| 492 | mso-padding-alt:0in 0in 4.0pt 0in; |
|---|
| 493 | font-size:26.0pt; |
|---|
| 494 | font-family:"Cambria","serif"; |
|---|
| 495 | mso-ascii-font-family:Cambria; |
|---|
| 496 | mso-ascii-theme-font:major-latin; |
|---|
| 497 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 498 | mso-fareast-theme-font:major-fareast; |
|---|
| 499 | mso-hansi-font-family:Cambria; |
|---|
| 500 | mso-hansi-theme-font:major-latin; |
|---|
| 501 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 502 | mso-bidi-theme-font:major-bidi; |
|---|
| 503 | color:#17365D; |
|---|
| 504 | mso-themecolor:text2; |
|---|
| 505 | mso-themeshade:191; |
|---|
| 506 | letter-spacing:.25pt; |
|---|
| 507 | mso-font-kerning:14.0pt;} |
|---|
| 508 | p.MsoTitleCxSpFirst, li.MsoTitleCxSpFirst, div.MsoTitleCxSpFirst |
|---|
| 509 | {mso-style-noshow:yes; |
|---|
| 510 | mso-style-priority:10; |
|---|
| 511 | mso-style-unhide:no; |
|---|
| 512 | mso-style-qformat:yes; |
|---|
| 513 | mso-style-link:"Title Char"; |
|---|
| 514 | mso-style-next:Normal; |
|---|
| 515 | mso-style-type:export-only; |
|---|
| 516 | margin:0in; |
|---|
| 517 | margin-bottom:.0001pt; |
|---|
| 518 | mso-add-space:auto; |
|---|
| 519 | mso-pagination:widow-orphan; |
|---|
| 520 | border:none; |
|---|
| 521 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
|---|
| 522 | mso-border-bottom-themecolor:accent1; |
|---|
| 523 | padding:0in; |
|---|
| 524 | mso-padding-alt:0in 0in 4.0pt 0in; |
|---|
| 525 | font-size:26.0pt; |
|---|
| 526 | font-family:"Cambria","serif"; |
|---|
| 527 | mso-ascii-font-family:Cambria; |
|---|
| 528 | mso-ascii-theme-font:major-latin; |
|---|
| 529 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 530 | mso-fareast-theme-font:major-fareast; |
|---|
| 531 | mso-hansi-font-family:Cambria; |
|---|
| 532 | mso-hansi-theme-font:major-latin; |
|---|
| 533 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 534 | mso-bidi-theme-font:major-bidi; |
|---|
| 535 | color:#17365D; |
|---|
| 536 | mso-themecolor:text2; |
|---|
| 537 | mso-themeshade:191; |
|---|
| 538 | letter-spacing:.25pt; |
|---|
| 539 | mso-font-kerning:14.0pt;} |
|---|
| 540 | p.MsoTitleCxSpMiddle, li.MsoTitleCxSpMiddle, div.MsoTitleCxSpMiddle |
|---|
| 541 | {mso-style-noshow:yes; |
|---|
| 542 | mso-style-priority:10; |
|---|
| 543 | mso-style-unhide:no; |
|---|
| 544 | mso-style-qformat:yes; |
|---|
| 545 | mso-style-link:"Title Char"; |
|---|
| 546 | mso-style-next:Normal; |
|---|
| 547 | mso-style-type:export-only; |
|---|
| 548 | margin:0in; |
|---|
| 549 | margin-bottom:.0001pt; |
|---|
| 550 | mso-add-space:auto; |
|---|
| 551 | mso-pagination:widow-orphan; |
|---|
| 552 | border:none; |
|---|
| 553 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
|---|
| 554 | mso-border-bottom-themecolor:accent1; |
|---|
| 555 | padding:0in; |
|---|
| 556 | mso-padding-alt:0in 0in 4.0pt 0in; |
|---|
| 557 | font-size:26.0pt; |
|---|
| 558 | font-family:"Cambria","serif"; |
|---|
| 559 | mso-ascii-font-family:Cambria; |
|---|
| 560 | mso-ascii-theme-font:major-latin; |
|---|
| 561 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 562 | mso-fareast-theme-font:major-fareast; |
|---|
| 563 | mso-hansi-font-family:Cambria; |
|---|
| 564 | mso-hansi-theme-font:major-latin; |
|---|
| 565 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 566 | mso-bidi-theme-font:major-bidi; |
|---|
| 567 | color:#17365D; |
|---|
| 568 | mso-themecolor:text2; |
|---|
| 569 | mso-themeshade:191; |
|---|
| 570 | letter-spacing:.25pt; |
|---|
| 571 | mso-font-kerning:14.0pt;} |
|---|
| 572 | p.MsoTitleCxSpLast, li.MsoTitleCxSpLast, div.MsoTitleCxSpLast |
|---|
| 573 | {mso-style-noshow:yes; |
|---|
| 574 | mso-style-priority:10; |
|---|
| 575 | mso-style-unhide:no; |
|---|
| 576 | mso-style-qformat:yes; |
|---|
| 577 | mso-style-link:"Title Char"; |
|---|
| 578 | mso-style-next:Normal; |
|---|
| 579 | mso-style-type:export-only; |
|---|
| 580 | margin-top:0in; |
|---|
| 581 | margin-right:0in; |
|---|
| 582 | margin-bottom:15.0pt; |
|---|
| 583 | margin-left:0in; |
|---|
| 584 | mso-add-space:auto; |
|---|
| 585 | mso-pagination:widow-orphan; |
|---|
| 586 | border:none; |
|---|
| 587 | mso-border-bottom-alt:solid #4F81BD 1.0pt; |
|---|
| 588 | mso-border-bottom-themecolor:accent1; |
|---|
| 589 | padding:0in; |
|---|
| 590 | mso-padding-alt:0in 0in 4.0pt 0in; |
|---|
| 591 | font-size:26.0pt; |
|---|
| 592 | font-family:"Cambria","serif"; |
|---|
| 593 | mso-ascii-font-family:Cambria; |
|---|
| 594 | mso-ascii-theme-font:major-latin; |
|---|
| 595 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 596 | mso-fareast-theme-font:major-fareast; |
|---|
| 597 | mso-hansi-font-family:Cambria; |
|---|
| 598 | mso-hansi-theme-font:major-latin; |
|---|
| 599 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 600 | mso-bidi-theme-font:major-bidi; |
|---|
| 601 | color:#17365D; |
|---|
| 602 | mso-themecolor:text2; |
|---|
| 603 | mso-themeshade:191; |
|---|
| 604 | letter-spacing:.25pt; |
|---|
| 605 | mso-font-kerning:14.0pt;} |
|---|
| 606 | a:link, span.MsoHyperlink |
|---|
| 607 | {mso-style-noshow:yes; |
|---|
| 608 | mso-style-priority:99; |
|---|
| 609 | color:blue; |
|---|
| 610 | text-decoration:underline; |
|---|
| 611 | text-underline:single;} |
|---|
| 612 | a:visited, span.MsoHyperlinkFollowed |
|---|
| 613 | {mso-style-noshow:yes; |
|---|
| 614 | mso-style-priority:99; |
|---|
| 615 | color:purple; |
|---|
| 616 | text-decoration:underline; |
|---|
| 617 | text-underline:single;} |
|---|
| 618 | p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap |
|---|
| 619 | {mso-style-noshow:yes; |
|---|
| 620 | mso-style-priority:99; |
|---|
| 621 | mso-style-link:"Document Map Char"; |
|---|
| 622 | margin:0in; |
|---|
| 623 | margin-bottom:.0001pt; |
|---|
| 624 | mso-pagination:widow-orphan; |
|---|
| 625 | font-size:8.0pt; |
|---|
| 626 | font-family:"Tahoma","sans-serif"; |
|---|
| 627 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 628 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 629 | p |
|---|
| 630 | {mso-style-noshow:yes; |
|---|
| 631 | mso-style-priority:99; |
|---|
| 632 | mso-margin-top-alt:auto; |
|---|
| 633 | margin-right:0in; |
|---|
| 634 | mso-margin-bottom-alt:auto; |
|---|
| 635 | margin-left:0in; |
|---|
| 636 | mso-pagination:widow-orphan; |
|---|
| 637 | font-size:12.0pt; |
|---|
| 638 | font-family:"Times New Roman","serif"; |
|---|
| 639 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 640 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 641 | pre |
|---|
| 642 | {mso-style-noshow:yes; |
|---|
| 643 | mso-style-priority:99; |
|---|
| 644 | mso-style-link:"HTML Preformatted Char"; |
|---|
| 645 | margin:0in; |
|---|
| 646 | margin-bottom:.0001pt; |
|---|
| 647 | mso-pagination:widow-orphan; |
|---|
| 648 | 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; |
|---|
| 649 | font-size:10.0pt; |
|---|
| 650 | font-family:"Courier New"; |
|---|
| 651 | mso-fareast-font-family:"Times New Roman";} |
|---|
| 652 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
|---|
| 653 | {mso-style-noshow:yes; |
|---|
| 654 | mso-style-priority:99; |
|---|
| 655 | mso-style-link:"Balloon Text Char"; |
|---|
| 656 | margin:0in; |
|---|
| 657 | margin-bottom:.0001pt; |
|---|
| 658 | mso-pagination:widow-orphan; |
|---|
| 659 | font-size:8.0pt; |
|---|
| 660 | font-family:"Tahoma","sans-serif"; |
|---|
| 661 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 662 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 663 | span.MsoPlaceholderText |
|---|
| 664 | {mso-style-noshow:yes; |
|---|
| 665 | mso-style-priority:99; |
|---|
| 666 | mso-style-unhide:no; |
|---|
| 667 | color:gray;} |
|---|
| 668 | p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing |
|---|
| 669 | {mso-style-noshow:yes; |
|---|
| 670 | mso-style-priority:1; |
|---|
| 671 | mso-style-unhide:no; |
|---|
| 672 | mso-style-qformat:yes; |
|---|
| 673 | mso-style-parent:""; |
|---|
| 674 | margin:0in; |
|---|
| 675 | margin-bottom:.0001pt; |
|---|
| 676 | mso-pagination:widow-orphan; |
|---|
| 677 | font-size:12.0pt; |
|---|
| 678 | font-family:"Times New Roman","serif"; |
|---|
| 679 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 680 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 681 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
|---|
| 682 | {mso-style-noshow:yes; |
|---|
| 683 | mso-style-priority:34; |
|---|
| 684 | mso-style-unhide:no; |
|---|
| 685 | mso-style-qformat:yes; |
|---|
| 686 | margin-top:0in; |
|---|
| 687 | margin-right:0in; |
|---|
| 688 | margin-bottom:0in; |
|---|
| 689 | margin-left:.5in; |
|---|
| 690 | margin-bottom:.0001pt; |
|---|
| 691 | mso-add-space:auto; |
|---|
| 692 | mso-pagination:widow-orphan; |
|---|
| 693 | font-size:12.0pt; |
|---|
| 694 | font-family:"Times New Roman","serif"; |
|---|
| 695 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 696 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 697 | p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
|---|
| 698 | {mso-style-noshow:yes; |
|---|
| 699 | mso-style-priority:34; |
|---|
| 700 | mso-style-unhide:no; |
|---|
| 701 | mso-style-qformat:yes; |
|---|
| 702 | mso-style-type:export-only; |
|---|
| 703 | margin-top:0in; |
|---|
| 704 | margin-right:0in; |
|---|
| 705 | margin-bottom:0in; |
|---|
| 706 | margin-left:.5in; |
|---|
| 707 | margin-bottom:.0001pt; |
|---|
| 708 | mso-add-space:auto; |
|---|
| 709 | mso-pagination:widow-orphan; |
|---|
| 710 | font-size:12.0pt; |
|---|
| 711 | font-family:"Times New Roman","serif"; |
|---|
| 712 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 713 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 714 | p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
|---|
| 715 | {mso-style-noshow:yes; |
|---|
| 716 | mso-style-priority:34; |
|---|
| 717 | mso-style-unhide:no; |
|---|
| 718 | mso-style-qformat:yes; |
|---|
| 719 | mso-style-type:export-only; |
|---|
| 720 | margin-top:0in; |
|---|
| 721 | margin-right:0in; |
|---|
| 722 | margin-bottom:0in; |
|---|
| 723 | margin-left:.5in; |
|---|
| 724 | margin-bottom:.0001pt; |
|---|
| 725 | mso-add-space:auto; |
|---|
| 726 | mso-pagination:widow-orphan; |
|---|
| 727 | font-size:12.0pt; |
|---|
| 728 | font-family:"Times New Roman","serif"; |
|---|
| 729 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 730 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 731 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
|---|
| 732 | {mso-style-noshow:yes; |
|---|
| 733 | mso-style-priority:34; |
|---|
| 734 | mso-style-unhide:no; |
|---|
| 735 | mso-style-qformat:yes; |
|---|
| 736 | mso-style-type:export-only; |
|---|
| 737 | margin-top:0in; |
|---|
| 738 | margin-right:0in; |
|---|
| 739 | margin-bottom:0in; |
|---|
| 740 | margin-left:.5in; |
|---|
| 741 | margin-bottom:.0001pt; |
|---|
| 742 | mso-add-space:auto; |
|---|
| 743 | mso-pagination:widow-orphan; |
|---|
| 744 | font-size:12.0pt; |
|---|
| 745 | font-family:"Times New Roman","serif"; |
|---|
| 746 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 747 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 748 | span.MsoIntenseReference |
|---|
| 749 | {mso-style-priority:32; |
|---|
| 750 | mso-style-unhide:no; |
|---|
| 751 | mso-style-qformat:yes; |
|---|
| 752 | font-variant:small-caps; |
|---|
| 753 | color:#C0504D; |
|---|
| 754 | mso-themecolor:accent2; |
|---|
| 755 | letter-spacing:.25pt; |
|---|
| 756 | font-weight:bold; |
|---|
| 757 | text-decoration:underline; |
|---|
| 758 | text-underline:single;} |
|---|
| 759 | span.Heading1Char |
|---|
| 760 | {mso-style-name:"Heading 1 Char"; |
|---|
| 761 | mso-style-priority:9; |
|---|
| 762 | mso-style-unhide:no; |
|---|
| 763 | mso-style-locked:yes; |
|---|
| 764 | mso-style-link:"Heading 1"; |
|---|
| 765 | mso-ansi-font-size:14.0pt; |
|---|
| 766 | mso-bidi-font-size:14.0pt; |
|---|
| 767 | font-family:"Cambria","serif"; |
|---|
| 768 | mso-ascii-font-family:Cambria; |
|---|
| 769 | mso-ascii-theme-font:major-latin; |
|---|
| 770 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 771 | mso-fareast-theme-font:major-fareast; |
|---|
| 772 | mso-hansi-font-family:Cambria; |
|---|
| 773 | mso-hansi-theme-font:major-latin; |
|---|
| 774 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 775 | mso-bidi-theme-font:major-bidi; |
|---|
| 776 | color:#365F91; |
|---|
| 777 | mso-themecolor:accent1; |
|---|
| 778 | mso-themeshade:191; |
|---|
| 779 | font-weight:bold;} |
|---|
| 780 | span.Heading2Char |
|---|
| 781 | {mso-style-name:"Heading 2 Char"; |
|---|
| 782 | mso-style-noshow:yes; |
|---|
| 783 | mso-style-priority:9; |
|---|
| 784 | mso-style-unhide:no; |
|---|
| 785 | mso-style-locked:yes; |
|---|
| 786 | mso-style-link:"Heading 2"; |
|---|
| 787 | mso-ansi-font-size:13.0pt; |
|---|
| 788 | mso-bidi-font-size:13.0pt; |
|---|
| 789 | font-family:"Cambria","serif"; |
|---|
| 790 | mso-ascii-font-family:Cambria; |
|---|
| 791 | mso-ascii-theme-font:major-latin; |
|---|
| 792 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 793 | mso-fareast-theme-font:major-fareast; |
|---|
| 794 | mso-hansi-font-family:Cambria; |
|---|
| 795 | mso-hansi-theme-font:major-latin; |
|---|
| 796 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 797 | mso-bidi-theme-font:major-bidi; |
|---|
| 798 | color:#4F81BD; |
|---|
| 799 | mso-themecolor:accent1; |
|---|
| 800 | font-weight:bold;} |
|---|
| 801 | span.Heading3Char |
|---|
| 802 | {mso-style-name:"Heading 3 Char"; |
|---|
| 803 | mso-style-noshow:yes; |
|---|
| 804 | mso-style-priority:9; |
|---|
| 805 | mso-style-unhide:no; |
|---|
| 806 | mso-style-locked:yes; |
|---|
| 807 | mso-style-link:"Heading 3"; |
|---|
| 808 | mso-ansi-font-size:12.0pt; |
|---|
| 809 | mso-bidi-font-size:12.0pt; |
|---|
| 810 | font-family:"Cambria","serif"; |
|---|
| 811 | mso-ascii-font-family:Cambria; |
|---|
| 812 | mso-ascii-theme-font:major-latin; |
|---|
| 813 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 814 | mso-fareast-theme-font:major-fareast; |
|---|
| 815 | mso-hansi-font-family:Cambria; |
|---|
| 816 | mso-hansi-theme-font:major-latin; |
|---|
| 817 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 818 | mso-bidi-theme-font:major-bidi; |
|---|
| 819 | color:#4F81BD; |
|---|
| 820 | mso-themecolor:accent1; |
|---|
| 821 | font-weight:bold;} |
|---|
| 822 | span.Heading4Char |
|---|
| 823 | {mso-style-name:"Heading 4 Char"; |
|---|
| 824 | mso-style-noshow:yes; |
|---|
| 825 | mso-style-priority:9; |
|---|
| 826 | mso-style-unhide:no; |
|---|
| 827 | mso-style-locked:yes; |
|---|
| 828 | mso-style-link:"Heading 4"; |
|---|
| 829 | mso-ansi-font-size:12.0pt; |
|---|
| 830 | mso-bidi-font-size:12.0pt; |
|---|
| 831 | font-family:"Cambria","serif"; |
|---|
| 832 | mso-ascii-font-family:Cambria; |
|---|
| 833 | mso-ascii-theme-font:major-latin; |
|---|
| 834 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 835 | mso-fareast-theme-font:major-fareast; |
|---|
| 836 | mso-hansi-font-family:Cambria; |
|---|
| 837 | mso-hansi-theme-font:major-latin; |
|---|
| 838 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 839 | mso-bidi-theme-font:major-bidi; |
|---|
| 840 | color:#4F81BD; |
|---|
| 841 | mso-themecolor:accent1; |
|---|
| 842 | font-weight:bold; |
|---|
| 843 | font-style:italic;} |
|---|
| 844 | span.Heading5Char |
|---|
| 845 | {mso-style-name:"Heading 5 Char"; |
|---|
| 846 | mso-style-noshow:yes; |
|---|
| 847 | mso-style-priority:9; |
|---|
| 848 | mso-style-unhide:no; |
|---|
| 849 | mso-style-locked:yes; |
|---|
| 850 | mso-style-link:"Heading 5"; |
|---|
| 851 | mso-ansi-font-size:12.0pt; |
|---|
| 852 | mso-bidi-font-size:12.0pt; |
|---|
| 853 | font-family:"Cambria","serif"; |
|---|
| 854 | mso-ascii-font-family:Cambria; |
|---|
| 855 | mso-ascii-theme-font:major-latin; |
|---|
| 856 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 857 | mso-fareast-theme-font:major-fareast; |
|---|
| 858 | mso-hansi-font-family:Cambria; |
|---|
| 859 | mso-hansi-theme-font:major-latin; |
|---|
| 860 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 861 | mso-bidi-theme-font:major-bidi; |
|---|
| 862 | color:#243F60; |
|---|
| 863 | mso-themecolor:accent1; |
|---|
| 864 | mso-themeshade:127;} |
|---|
| 865 | span.HTMLPreformattedChar |
|---|
| 866 | {mso-style-name:"HTML Preformatted Char"; |
|---|
| 867 | mso-style-noshow:yes; |
|---|
| 868 | mso-style-priority:99; |
|---|
| 869 | mso-style-unhide:no; |
|---|
| 870 | mso-style-locked:yes; |
|---|
| 871 | mso-style-link:"HTML Preformatted"; |
|---|
| 872 | font-family:"Courier New"; |
|---|
| 873 | mso-ascii-font-family:"Courier New"; |
|---|
| 874 | mso-hansi-font-family:"Courier New"; |
|---|
| 875 | mso-bidi-font-family:"Courier New";} |
|---|
| 876 | span.TitleChar |
|---|
| 877 | {mso-style-name:"Title Char"; |
|---|
| 878 | mso-style-priority:10; |
|---|
| 879 | mso-style-unhide:no; |
|---|
| 880 | mso-style-locked:yes; |
|---|
| 881 | mso-style-link:Title; |
|---|
| 882 | mso-ansi-font-size:26.0pt; |
|---|
| 883 | mso-bidi-font-size:26.0pt; |
|---|
| 884 | font-family:"Cambria","serif"; |
|---|
| 885 | mso-ascii-font-family:Cambria; |
|---|
| 886 | mso-ascii-theme-font:major-latin; |
|---|
| 887 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 888 | mso-fareast-theme-font:major-fareast; |
|---|
| 889 | mso-hansi-font-family:Cambria; |
|---|
| 890 | mso-hansi-theme-font:major-latin; |
|---|
| 891 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 892 | mso-bidi-theme-font:major-bidi; |
|---|
| 893 | color:#17365D; |
|---|
| 894 | mso-themecolor:text2; |
|---|
| 895 | mso-themeshade:191; |
|---|
| 896 | letter-spacing:.25pt; |
|---|
| 897 | mso-font-kerning:14.0pt;} |
|---|
| 898 | span.DocumentMapChar |
|---|
| 899 | {mso-style-name:"Document Map Char"; |
|---|
| 900 | mso-style-noshow:yes; |
|---|
| 901 | mso-style-priority:99; |
|---|
| 902 | mso-style-unhide:no; |
|---|
| 903 | mso-style-locked:yes; |
|---|
| 904 | mso-style-link:"Document Map"; |
|---|
| 905 | mso-ansi-font-size:8.0pt; |
|---|
| 906 | mso-bidi-font-size:8.0pt; |
|---|
| 907 | font-family:"Tahoma","sans-serif"; |
|---|
| 908 | mso-ascii-font-family:Tahoma; |
|---|
| 909 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 910 | mso-fareast-theme-font:minor-fareast; |
|---|
| 911 | mso-hansi-font-family:Tahoma; |
|---|
| 912 | mso-bidi-font-family:Tahoma;} |
|---|
| 913 | span.BalloonTextChar |
|---|
| 914 | {mso-style-name:"Balloon Text Char"; |
|---|
| 915 | mso-style-noshow:yes; |
|---|
| 916 | mso-style-priority:99; |
|---|
| 917 | mso-style-unhide:no; |
|---|
| 918 | mso-style-locked:yes; |
|---|
| 919 | mso-style-link:"Balloon Text"; |
|---|
| 920 | mso-ansi-font-size:8.0pt; |
|---|
| 921 | mso-bidi-font-size:8.0pt; |
|---|
| 922 | font-family:"Tahoma","sans-serif"; |
|---|
| 923 | mso-ascii-font-family:Tahoma; |
|---|
| 924 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 925 | mso-fareast-theme-font:minor-fareast; |
|---|
| 926 | mso-hansi-font-family:Tahoma; |
|---|
| 927 | mso-bidi-font-family:Tahoma;} |
|---|
| 928 | span.SpellE |
|---|
| 929 | {mso-style-name:""; |
|---|
| 930 | mso-spl-e:yes;} |
|---|
| 931 | span.GramE |
|---|
| 932 | {mso-style-name:""; |
|---|
| 933 | mso-gram-e:yes;} |
|---|
| 934 | .MsoChpDefault |
|---|
| 935 | {mso-style-type:export-only; |
|---|
| 936 | mso-default-props:yes; |
|---|
| 937 | font-size:10.0pt; |
|---|
| 938 | mso-ansi-font-size:10.0pt; |
|---|
| 939 | mso-bidi-font-size:10.0pt;} |
|---|
| 940 | @page WordSection1 |
|---|
| 941 | {size:8.5in 11.0in; |
|---|
| 942 | margin:1.0in 1.0in 1.0in 1.0in; |
|---|
| 943 | mso-header-margin:.5in; |
|---|
| 944 | mso-footer-margin:.5in; |
|---|
| 945 | mso-paper-source:0;} |
|---|
| 946 | div.WordSection1 |
|---|
| 947 | {page:WordSection1;} |
|---|
| 948 | /* List Definitions */ |
|---|
| 949 | @list l0 |
|---|
| 950 | {mso-list-id:142163818; |
|---|
| 951 | mso-list-type:hybrid; |
|---|
| 952 | mso-list-template-ids:773461610 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 953 | @list l0:level1 |
|---|
| 954 | {mso-level-tab-stop:none; |
|---|
| 955 | mso-level-number-position:left; |
|---|
| 956 | text-indent:-.25in;} |
|---|
| 957 | @list l0:level2 |
|---|
| 958 | {mso-level-number-format:alpha-lower; |
|---|
| 959 | mso-level-tab-stop:none; |
|---|
| 960 | mso-level-number-position:left; |
|---|
| 961 | text-indent:-.25in;} |
|---|
| 962 | @list l0:level3 |
|---|
| 963 | {mso-level-number-format:roman-lower; |
|---|
| 964 | mso-level-tab-stop:none; |
|---|
| 965 | mso-level-number-position:right; |
|---|
| 966 | text-indent:-9.0pt;} |
|---|
| 967 | @list l0:level4 |
|---|
| 968 | {mso-level-tab-stop:2.0in; |
|---|
| 969 | mso-level-number-position:left; |
|---|
| 970 | text-indent:-.25in;} |
|---|
| 971 | @list l0:level5 |
|---|
| 972 | {mso-level-tab-stop:2.5in; |
|---|
| 973 | mso-level-number-position:left; |
|---|
| 974 | text-indent:-.25in;} |
|---|
| 975 | @list l0:level6 |
|---|
| 976 | {mso-level-tab-stop:3.0in; |
|---|
| 977 | mso-level-number-position:left; |
|---|
| 978 | text-indent:-.25in;} |
|---|
| 979 | @list l0:level7 |
|---|
| 980 | {mso-level-tab-stop:3.5in; |
|---|
| 981 | mso-level-number-position:left; |
|---|
| 982 | text-indent:-.25in;} |
|---|
| 983 | @list l0:level8 |
|---|
| 984 | {mso-level-tab-stop:4.0in; |
|---|
| 985 | mso-level-number-position:left; |
|---|
| 986 | text-indent:-.25in;} |
|---|
| 987 | @list l0:level9 |
|---|
| 988 | {mso-level-tab-stop:4.5in; |
|---|
| 989 | mso-level-number-position:left; |
|---|
| 990 | text-indent:-.25in;} |
|---|
| 991 | @list l1 |
|---|
| 992 | {mso-list-id:203979460; |
|---|
| 993 | mso-list-template-ids:88359672;} |
|---|
| 994 | @list l1:level1 |
|---|
| 995 | {mso-level-number-format:bullet; |
|---|
| 996 | mso-level-text:\F0B7; |
|---|
| 997 | mso-level-tab-stop:.5in; |
|---|
| 998 | mso-level-number-position:left; |
|---|
| 999 | text-indent:-.25in; |
|---|
| 1000 | mso-ansi-font-size:10.0pt; |
|---|
| 1001 | font-family:Symbol;} |
|---|
| 1002 | @list l1:level2 |
|---|
| 1003 | {mso-level-tab-stop:1.0in; |
|---|
| 1004 | mso-level-number-position:left; |
|---|
| 1005 | text-indent:-.25in;} |
|---|
| 1006 | @list l1:level3 |
|---|
| 1007 | {mso-level-tab-stop:1.5in; |
|---|
| 1008 | mso-level-number-position:left; |
|---|
| 1009 | text-indent:-.25in;} |
|---|
| 1010 | @list l1:level4 |
|---|
| 1011 | {mso-level-tab-stop:2.0in; |
|---|
| 1012 | mso-level-number-position:left; |
|---|
| 1013 | text-indent:-.25in;} |
|---|
| 1014 | @list l1:level5 |
|---|
| 1015 | {mso-level-tab-stop:2.5in; |
|---|
| 1016 | mso-level-number-position:left; |
|---|
| 1017 | text-indent:-.25in;} |
|---|
| 1018 | @list l1:level6 |
|---|
| 1019 | {mso-level-tab-stop:3.0in; |
|---|
| 1020 | mso-level-number-position:left; |
|---|
| 1021 | text-indent:-.25in;} |
|---|
| 1022 | @list l1:level7 |
|---|
| 1023 | {mso-level-tab-stop:3.5in; |
|---|
| 1024 | mso-level-number-position:left; |
|---|
| 1025 | text-indent:-.25in;} |
|---|
| 1026 | @list l1:level8 |
|---|
| 1027 | {mso-level-tab-stop:4.0in; |
|---|
| 1028 | mso-level-number-position:left; |
|---|
| 1029 | text-indent:-.25in;} |
|---|
| 1030 | @list l1:level9 |
|---|
| 1031 | {mso-level-tab-stop:4.5in; |
|---|
| 1032 | mso-level-number-position:left; |
|---|
| 1033 | text-indent:-.25in;} |
|---|
| 1034 | @list l2 |
|---|
| 1035 | {mso-list-id:268514595; |
|---|
| 1036 | mso-list-type:hybrid; |
|---|
| 1037 | mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1038 | @list l2:level1 |
|---|
| 1039 | {mso-level-number-format:alpha-lower; |
|---|
| 1040 | mso-level-tab-stop:none; |
|---|
| 1041 | mso-level-number-position:left; |
|---|
| 1042 | margin-left:1.0in; |
|---|
| 1043 | text-indent:-.25in; |
|---|
| 1044 | mso-ansi-font-weight:normal;} |
|---|
| 1045 | @list l2:level2 |
|---|
| 1046 | {mso-level-tab-stop:1.0in; |
|---|
| 1047 | mso-level-number-position:left; |
|---|
| 1048 | text-indent:-.25in;} |
|---|
| 1049 | @list l2:level3 |
|---|
| 1050 | {mso-level-tab-stop:112.5pt; |
|---|
| 1051 | mso-level-number-position:left; |
|---|
| 1052 | margin-left:112.5pt; |
|---|
| 1053 | text-indent:-.25in;} |
|---|
| 1054 | @list l2:level4 |
|---|
| 1055 | {mso-level-tab-stop:2.0in; |
|---|
| 1056 | mso-level-number-position:left; |
|---|
| 1057 | text-indent:-.25in;} |
|---|
| 1058 | @list l2:level5 |
|---|
| 1059 | {mso-level-tab-stop:2.5in; |
|---|
| 1060 | mso-level-number-position:left; |
|---|
| 1061 | text-indent:-.25in;} |
|---|
| 1062 | @list l2:level6 |
|---|
| 1063 | {mso-level-tab-stop:3.0in; |
|---|
| 1064 | mso-level-number-position:left; |
|---|
| 1065 | text-indent:-.25in;} |
|---|
| 1066 | @list l2:level7 |
|---|
| 1067 | {mso-level-tab-stop:3.5in; |
|---|
| 1068 | mso-level-number-position:left; |
|---|
| 1069 | text-indent:-.25in;} |
|---|
| 1070 | @list l2:level8 |
|---|
| 1071 | {mso-level-tab-stop:4.0in; |
|---|
| 1072 | mso-level-number-position:left; |
|---|
| 1073 | text-indent:-.25in;} |
|---|
| 1074 | @list l2:level9 |
|---|
| 1075 | {mso-level-tab-stop:4.5in; |
|---|
| 1076 | mso-level-number-position:left; |
|---|
| 1077 | text-indent:-.25in;} |
|---|
| 1078 | @list l3 |
|---|
| 1079 | {mso-list-id:301277244; |
|---|
| 1080 | mso-list-template-ids:-445226636;} |
|---|
| 1081 | @list l3:level1 |
|---|
| 1082 | {mso-level-tab-stop:none; |
|---|
| 1083 | mso-level-number-position:left; |
|---|
| 1084 | text-indent:-.25in;} |
|---|
| 1085 | @list l3:level2 |
|---|
| 1086 | {mso-level-number-format:alpha-lower; |
|---|
| 1087 | mso-level-tab-stop:1.0in; |
|---|
| 1088 | mso-level-number-position:left; |
|---|
| 1089 | text-indent:-.25in;} |
|---|
| 1090 | @list l3:level3 |
|---|
| 1091 | {mso-level-tab-stop:1.5in; |
|---|
| 1092 | mso-level-number-position:left; |
|---|
| 1093 | text-indent:-.25in;} |
|---|
| 1094 | @list l3:level4 |
|---|
| 1095 | {mso-level-number-format:alpha-lower; |
|---|
| 1096 | mso-level-tab-stop:2.0in; |
|---|
| 1097 | mso-level-number-position:left; |
|---|
| 1098 | text-indent:-.25in;} |
|---|
| 1099 | @list l3:level5 |
|---|
| 1100 | {mso-level-tab-stop:2.5in; |
|---|
| 1101 | mso-level-number-position:left; |
|---|
| 1102 | text-indent:-.25in;} |
|---|
| 1103 | @list l3:level6 |
|---|
| 1104 | {mso-level-tab-stop:3.0in; |
|---|
| 1105 | mso-level-number-position:left; |
|---|
| 1106 | text-indent:-.25in;} |
|---|
| 1107 | @list l3:level7 |
|---|
| 1108 | {mso-level-tab-stop:3.5in; |
|---|
| 1109 | mso-level-number-position:left; |
|---|
| 1110 | text-indent:-.25in;} |
|---|
| 1111 | @list l3:level8 |
|---|
| 1112 | {mso-level-tab-stop:4.0in; |
|---|
| 1113 | mso-level-number-position:left; |
|---|
| 1114 | text-indent:-.25in;} |
|---|
| 1115 | @list l3:level9 |
|---|
| 1116 | {mso-level-tab-stop:4.5in; |
|---|
| 1117 | mso-level-number-position:left; |
|---|
| 1118 | text-indent:-.25in;} |
|---|
| 1119 | @list l4 |
|---|
| 1120 | {mso-list-id:424421782; |
|---|
| 1121 | mso-list-template-ids:-445226636;} |
|---|
| 1122 | @list l4:level1 |
|---|
| 1123 | {mso-level-tab-stop:none; |
|---|
| 1124 | mso-level-number-position:left; |
|---|
| 1125 | text-indent:-.25in;} |
|---|
| 1126 | @list l4:level2 |
|---|
| 1127 | {mso-level-number-format:alpha-lower; |
|---|
| 1128 | mso-level-tab-stop:1.0in; |
|---|
| 1129 | mso-level-number-position:left; |
|---|
| 1130 | text-indent:-.25in;} |
|---|
| 1131 | @list l4:level3 |
|---|
| 1132 | {mso-level-tab-stop:1.5in; |
|---|
| 1133 | mso-level-number-position:left; |
|---|
| 1134 | text-indent:-.25in;} |
|---|
| 1135 | @list l4:level4 |
|---|
| 1136 | {mso-level-number-format:alpha-lower; |
|---|
| 1137 | mso-level-tab-stop:2.0in; |
|---|
| 1138 | mso-level-number-position:left; |
|---|
| 1139 | text-indent:-.25in;} |
|---|
| 1140 | @list l4:level5 |
|---|
| 1141 | {mso-level-tab-stop:2.5in; |
|---|
| 1142 | mso-level-number-position:left; |
|---|
| 1143 | text-indent:-.25in;} |
|---|
| 1144 | @list l4:level6 |
|---|
| 1145 | {mso-level-tab-stop:3.0in; |
|---|
| 1146 | mso-level-number-position:left; |
|---|
| 1147 | text-indent:-.25in;} |
|---|
| 1148 | @list l4:level7 |
|---|
| 1149 | {mso-level-tab-stop:3.5in; |
|---|
| 1150 | mso-level-number-position:left; |
|---|
| 1151 | text-indent:-.25in;} |
|---|
| 1152 | @list l4:level8 |
|---|
| 1153 | {mso-level-tab-stop:4.0in; |
|---|
| 1154 | mso-level-number-position:left; |
|---|
| 1155 | text-indent:-.25in;} |
|---|
| 1156 | @list l4:level9 |
|---|
| 1157 | {mso-level-tab-stop:4.5in; |
|---|
| 1158 | mso-level-number-position:left; |
|---|
| 1159 | text-indent:-.25in;} |
|---|
| 1160 | @list l5 |
|---|
| 1161 | {mso-list-id:617220658; |
|---|
| 1162 | mso-list-type:hybrid; |
|---|
| 1163 | mso-list-template-ids:1177170962 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1164 | @list l5:level1 |
|---|
| 1165 | {mso-level-tab-stop:none; |
|---|
| 1166 | mso-level-number-position:left; |
|---|
| 1167 | text-indent:-.25in;} |
|---|
| 1168 | @list l5:level2 |
|---|
| 1169 | {mso-level-tab-stop:1.0in; |
|---|
| 1170 | mso-level-number-position:left; |
|---|
| 1171 | text-indent:-.25in;} |
|---|
| 1172 | @list l5:level3 |
|---|
| 1173 | {mso-level-tab-stop:1.5in; |
|---|
| 1174 | mso-level-number-position:left; |
|---|
| 1175 | text-indent:-.25in;} |
|---|
| 1176 | @list l5:level4 |
|---|
| 1177 | {mso-level-tab-stop:2.0in; |
|---|
| 1178 | mso-level-number-position:left; |
|---|
| 1179 | text-indent:-.25in;} |
|---|
| 1180 | @list l5:level5 |
|---|
| 1181 | {mso-level-tab-stop:2.5in; |
|---|
| 1182 | mso-level-number-position:left; |
|---|
| 1183 | text-indent:-.25in;} |
|---|
| 1184 | @list l5:level6 |
|---|
| 1185 | {mso-level-tab-stop:3.0in; |
|---|
| 1186 | mso-level-number-position:left; |
|---|
| 1187 | text-indent:-.25in;} |
|---|
| 1188 | @list l5:level7 |
|---|
| 1189 | {mso-level-tab-stop:3.5in; |
|---|
| 1190 | mso-level-number-position:left; |
|---|
| 1191 | text-indent:-.25in;} |
|---|
| 1192 | @list l5:level8 |
|---|
| 1193 | {mso-level-tab-stop:4.0in; |
|---|
| 1194 | mso-level-number-position:left; |
|---|
| 1195 | text-indent:-.25in;} |
|---|
| 1196 | @list l5:level9 |
|---|
| 1197 | {mso-level-tab-stop:4.5in; |
|---|
| 1198 | mso-level-number-position:left; |
|---|
| 1199 | text-indent:-.25in;} |
|---|
| 1200 | @list l6 |
|---|
| 1201 | {mso-list-id:649361966; |
|---|
| 1202 | mso-list-template-ids:326264828;} |
|---|
| 1203 | @list l6:level1 |
|---|
| 1204 | {mso-level-tab-stop:none; |
|---|
| 1205 | mso-level-number-position:left; |
|---|
| 1206 | text-indent:-.25in;} |
|---|
| 1207 | @list l6:level2 |
|---|
| 1208 | {mso-level-number-format:alpha-lower; |
|---|
| 1209 | mso-level-tab-stop:1.0in; |
|---|
| 1210 | mso-level-number-position:left; |
|---|
| 1211 | text-indent:-.25in; |
|---|
| 1212 | mso-ansi-font-size:12.0pt; |
|---|
| 1213 | font-family:"Times New Roman","serif"; |
|---|
| 1214 | mso-ansi-font-weight:normal; |
|---|
| 1215 | mso-ansi-font-style:normal;} |
|---|
| 1216 | @list l6:level3 |
|---|
| 1217 | {mso-level-tab-stop:1.5in; |
|---|
| 1218 | mso-level-number-position:left; |
|---|
| 1219 | text-indent:-.25in;} |
|---|
| 1220 | @list l6:level4 |
|---|
| 1221 | {mso-level-number-format:alpha-lower; |
|---|
| 1222 | mso-level-tab-stop:2.0in; |
|---|
| 1223 | mso-level-number-position:left; |
|---|
| 1224 | text-indent:-.25in;} |
|---|
| 1225 | @list l6:level5 |
|---|
| 1226 | {mso-level-tab-stop:2.5in; |
|---|
| 1227 | mso-level-number-position:left; |
|---|
| 1228 | text-indent:-.25in;} |
|---|
| 1229 | @list l6:level6 |
|---|
| 1230 | {mso-level-tab-stop:3.0in; |
|---|
| 1231 | mso-level-number-position:left; |
|---|
| 1232 | text-indent:-.25in;} |
|---|
| 1233 | @list l6:level7 |
|---|
| 1234 | {mso-level-tab-stop:3.5in; |
|---|
| 1235 | mso-level-number-position:left; |
|---|
| 1236 | text-indent:-.25in;} |
|---|
| 1237 | @list l6:level8 |
|---|
| 1238 | {mso-level-tab-stop:4.0in; |
|---|
| 1239 | mso-level-number-position:left; |
|---|
| 1240 | text-indent:-.25in;} |
|---|
| 1241 | @list l6:level9 |
|---|
| 1242 | {mso-level-tab-stop:4.5in; |
|---|
| 1243 | mso-level-number-position:left; |
|---|
| 1244 | text-indent:-.25in;} |
|---|
| 1245 | @list l7 |
|---|
| 1246 | {mso-list-id:656106218; |
|---|
| 1247 | mso-list-type:hybrid; |
|---|
| 1248 | mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1249 | @list l7:level1 |
|---|
| 1250 | {mso-level-tab-stop:none; |
|---|
| 1251 | mso-level-number-position:left; |
|---|
| 1252 | text-indent:-.25in;} |
|---|
| 1253 | @list l7:level2 |
|---|
| 1254 | {mso-level-tab-stop:1.0in; |
|---|
| 1255 | mso-level-number-position:left; |
|---|
| 1256 | text-indent:-.25in;} |
|---|
| 1257 | @list l7:level3 |
|---|
| 1258 | {mso-level-tab-stop:1.5in; |
|---|
| 1259 | mso-level-number-position:left; |
|---|
| 1260 | text-indent:-.25in;} |
|---|
| 1261 | @list l7:level4 |
|---|
| 1262 | {mso-level-tab-stop:2.0in; |
|---|
| 1263 | mso-level-number-position:left; |
|---|
| 1264 | text-indent:-.25in;} |
|---|
| 1265 | @list l7:level5 |
|---|
| 1266 | {mso-level-tab-stop:2.5in; |
|---|
| 1267 | mso-level-number-position:left; |
|---|
| 1268 | text-indent:-.25in;} |
|---|
| 1269 | @list l7:level6 |
|---|
| 1270 | {mso-level-tab-stop:3.0in; |
|---|
| 1271 | mso-level-number-position:left; |
|---|
| 1272 | text-indent:-.25in;} |
|---|
| 1273 | @list l7:level7 |
|---|
| 1274 | {mso-level-tab-stop:3.5in; |
|---|
| 1275 | mso-level-number-position:left; |
|---|
| 1276 | text-indent:-.25in;} |
|---|
| 1277 | @list l7:level8 |
|---|
| 1278 | {mso-level-tab-stop:4.0in; |
|---|
| 1279 | mso-level-number-position:left; |
|---|
| 1280 | text-indent:-.25in;} |
|---|
| 1281 | @list l7:level9 |
|---|
| 1282 | {mso-level-tab-stop:4.5in; |
|---|
| 1283 | mso-level-number-position:left; |
|---|
| 1284 | text-indent:-.25in;} |
|---|
| 1285 | @list l8 |
|---|
| 1286 | {mso-list-id:734669460; |
|---|
| 1287 | mso-list-type:hybrid; |
|---|
| 1288 | mso-list-template-ids:1988758972 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1289 | @list l8:level1 |
|---|
| 1290 | {mso-level-tab-stop:none; |
|---|
| 1291 | mso-level-number-position:left; |
|---|
| 1292 | text-indent:-.25in;} |
|---|
| 1293 | @list l8:level2 |
|---|
| 1294 | {mso-level-tab-stop:1.0in; |
|---|
| 1295 | mso-level-number-position:left; |
|---|
| 1296 | text-indent:-.25in;} |
|---|
| 1297 | @list l8:level3 |
|---|
| 1298 | {mso-level-tab-stop:1.5in; |
|---|
| 1299 | mso-level-number-position:left; |
|---|
| 1300 | text-indent:-.25in;} |
|---|
| 1301 | @list l8:level4 |
|---|
| 1302 | {mso-level-tab-stop:2.0in; |
|---|
| 1303 | mso-level-number-position:left; |
|---|
| 1304 | text-indent:-.25in;} |
|---|
| 1305 | @list l8:level5 |
|---|
| 1306 | {mso-level-tab-stop:2.5in; |
|---|
| 1307 | mso-level-number-position:left; |
|---|
| 1308 | text-indent:-.25in;} |
|---|
| 1309 | @list l8:level6 |
|---|
| 1310 | {mso-level-tab-stop:3.0in; |
|---|
| 1311 | mso-level-number-position:left; |
|---|
| 1312 | text-indent:-.25in;} |
|---|
| 1313 | @list l8:level7 |
|---|
| 1314 | {mso-level-tab-stop:3.5in; |
|---|
| 1315 | mso-level-number-position:left; |
|---|
| 1316 | text-indent:-.25in;} |
|---|
| 1317 | @list l8:level8 |
|---|
| 1318 | {mso-level-tab-stop:4.0in; |
|---|
| 1319 | mso-level-number-position:left; |
|---|
| 1320 | text-indent:-.25in;} |
|---|
| 1321 | @list l8:level9 |
|---|
| 1322 | {mso-level-tab-stop:4.5in; |
|---|
| 1323 | mso-level-number-position:left; |
|---|
| 1324 | text-indent:-.25in;} |
|---|
| 1325 | @list l9 |
|---|
| 1326 | {mso-list-id:742676264; |
|---|
| 1327 | mso-list-template-ids:326264828;} |
|---|
| 1328 | @list l9:level1 |
|---|
| 1329 | {mso-level-tab-stop:none; |
|---|
| 1330 | mso-level-number-position:left; |
|---|
| 1331 | text-indent:-.25in;} |
|---|
| 1332 | @list l9:level2 |
|---|
| 1333 | {mso-level-number-format:alpha-lower; |
|---|
| 1334 | mso-level-tab-stop:1.0in; |
|---|
| 1335 | mso-level-number-position:left; |
|---|
| 1336 | text-indent:-.25in; |
|---|
| 1337 | mso-ansi-font-size:12.0pt; |
|---|
| 1338 | font-family:"Times New Roman","serif"; |
|---|
| 1339 | mso-ansi-font-weight:normal; |
|---|
| 1340 | mso-ansi-font-style:normal;} |
|---|
| 1341 | @list l9:level3 |
|---|
| 1342 | {mso-level-tab-stop:1.5in; |
|---|
| 1343 | mso-level-number-position:left; |
|---|
| 1344 | text-indent:-.25in;} |
|---|
| 1345 | @list l9:level4 |
|---|
| 1346 | {mso-level-number-format:alpha-lower; |
|---|
| 1347 | mso-level-tab-stop:2.0in; |
|---|
| 1348 | mso-level-number-position:left; |
|---|
| 1349 | text-indent:-.25in;} |
|---|
| 1350 | @list l9:level5 |
|---|
| 1351 | {mso-level-tab-stop:2.5in; |
|---|
| 1352 | mso-level-number-position:left; |
|---|
| 1353 | text-indent:-.25in;} |
|---|
| 1354 | @list l9:level6 |
|---|
| 1355 | {mso-level-tab-stop:3.0in; |
|---|
| 1356 | mso-level-number-position:left; |
|---|
| 1357 | text-indent:-.25in;} |
|---|
| 1358 | @list l9:level7 |
|---|
| 1359 | {mso-level-tab-stop:3.5in; |
|---|
| 1360 | mso-level-number-position:left; |
|---|
| 1361 | text-indent:-.25in;} |
|---|
| 1362 | @list l9:level8 |
|---|
| 1363 | {mso-level-tab-stop:4.0in; |
|---|
| 1364 | mso-level-number-position:left; |
|---|
| 1365 | text-indent:-.25in;} |
|---|
| 1366 | @list l9:level9 |
|---|
| 1367 | {mso-level-tab-stop:4.5in; |
|---|
| 1368 | mso-level-number-position:left; |
|---|
| 1369 | text-indent:-.25in;} |
|---|
| 1370 | @list l10 |
|---|
| 1371 | {mso-list-id:919948450; |
|---|
| 1372 | mso-list-type:hybrid; |
|---|
| 1373 | mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1374 | @list l10:level1 |
|---|
| 1375 | {mso-level-tab-stop:none; |
|---|
| 1376 | mso-level-number-position:left; |
|---|
| 1377 | text-indent:-.25in;} |
|---|
| 1378 | @list l10:level2 |
|---|
| 1379 | {mso-level-tab-stop:1.0in; |
|---|
| 1380 | mso-level-number-position:left; |
|---|
| 1381 | text-indent:-.25in;} |
|---|
| 1382 | @list l10:level3 |
|---|
| 1383 | {mso-level-tab-stop:1.5in; |
|---|
| 1384 | mso-level-number-position:left; |
|---|
| 1385 | text-indent:-.25in;} |
|---|
| 1386 | @list l10:level4 |
|---|
| 1387 | {mso-level-tab-stop:2.0in; |
|---|
| 1388 | mso-level-number-position:left; |
|---|
| 1389 | text-indent:-.25in;} |
|---|
| 1390 | @list l10:level5 |
|---|
| 1391 | {mso-level-tab-stop:2.5in; |
|---|
| 1392 | mso-level-number-position:left; |
|---|
| 1393 | text-indent:-.25in;} |
|---|
| 1394 | @list l10:level6 |
|---|
| 1395 | {mso-level-tab-stop:3.0in; |
|---|
| 1396 | mso-level-number-position:left; |
|---|
| 1397 | text-indent:-.25in;} |
|---|
| 1398 | @list l10:level7 |
|---|
| 1399 | {mso-level-tab-stop:3.5in; |
|---|
| 1400 | mso-level-number-position:left; |
|---|
| 1401 | text-indent:-.25in;} |
|---|
| 1402 | @list l10:level8 |
|---|
| 1403 | {mso-level-tab-stop:4.0in; |
|---|
| 1404 | mso-level-number-position:left; |
|---|
| 1405 | text-indent:-.25in;} |
|---|
| 1406 | @list l10:level9 |
|---|
| 1407 | {mso-level-tab-stop:4.5in; |
|---|
| 1408 | mso-level-number-position:left; |
|---|
| 1409 | text-indent:-.25in;} |
|---|
| 1410 | @list l11 |
|---|
| 1411 | {mso-list-id:1035230400; |
|---|
| 1412 | mso-list-type:hybrid; |
|---|
| 1413 | mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1414 | @list l11:level1 |
|---|
| 1415 | {mso-level-tab-stop:none; |
|---|
| 1416 | mso-level-number-position:left; |
|---|
| 1417 | text-indent:-.25in;} |
|---|
| 1418 | @list l11:level2 |
|---|
| 1419 | {mso-level-number-format:alpha-lower; |
|---|
| 1420 | mso-level-tab-stop:none; |
|---|
| 1421 | mso-level-number-position:left; |
|---|
| 1422 | text-indent:-.25in;} |
|---|
| 1423 | @list l11:level3 |
|---|
| 1424 | {mso-level-tab-stop:1.5in; |
|---|
| 1425 | mso-level-number-position:left; |
|---|
| 1426 | text-indent:-.25in;} |
|---|
| 1427 | @list l11:level4 |
|---|
| 1428 | {mso-level-tab-stop:2.0in; |
|---|
| 1429 | mso-level-number-position:left; |
|---|
| 1430 | text-indent:-.25in;} |
|---|
| 1431 | @list l11:level5 |
|---|
| 1432 | {mso-level-tab-stop:2.5in; |
|---|
| 1433 | mso-level-number-position:left; |
|---|
| 1434 | text-indent:-.25in;} |
|---|
| 1435 | @list l11:level6 |
|---|
| 1436 | {mso-level-tab-stop:3.0in; |
|---|
| 1437 | mso-level-number-position:left; |
|---|
| 1438 | text-indent:-.25in;} |
|---|
| 1439 | @list l11:level7 |
|---|
| 1440 | {mso-level-tab-stop:3.5in; |
|---|
| 1441 | mso-level-number-position:left; |
|---|
| 1442 | text-indent:-.25in;} |
|---|
| 1443 | @list l11:level8 |
|---|
| 1444 | {mso-level-tab-stop:4.0in; |
|---|
| 1445 | mso-level-number-position:left; |
|---|
| 1446 | text-indent:-.25in;} |
|---|
| 1447 | @list l11:level9 |
|---|
| 1448 | {mso-level-tab-stop:4.5in; |
|---|
| 1449 | mso-level-number-position:left; |
|---|
| 1450 | text-indent:-.25in;} |
|---|
| 1451 | @list l12 |
|---|
| 1452 | {mso-list-id:1074664733; |
|---|
| 1453 | mso-list-type:hybrid; |
|---|
| 1454 | mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1455 | @list l12:level1 |
|---|
| 1456 | {mso-level-number-format:alpha-lower; |
|---|
| 1457 | mso-level-tab-stop:none; |
|---|
| 1458 | mso-level-number-position:left; |
|---|
| 1459 | margin-left:1.0in; |
|---|
| 1460 | text-indent:-.25in; |
|---|
| 1461 | mso-ansi-font-weight:normal;} |
|---|
| 1462 | @list l12:level2 |
|---|
| 1463 | {mso-level-number-format:alpha-lower; |
|---|
| 1464 | mso-level-tab-stop:none; |
|---|
| 1465 | mso-level-number-position:left; |
|---|
| 1466 | text-indent:-.25in;} |
|---|
| 1467 | @list l12:level3 |
|---|
| 1468 | {mso-level-tab-stop:1.5in; |
|---|
| 1469 | mso-level-number-position:left; |
|---|
| 1470 | text-indent:-.25in;} |
|---|
| 1471 | @list l12:level4 |
|---|
| 1472 | {mso-level-tab-stop:2.0in; |
|---|
| 1473 | mso-level-number-position:left; |
|---|
| 1474 | text-indent:-.25in;} |
|---|
| 1475 | @list l12:level5 |
|---|
| 1476 | {mso-level-tab-stop:2.5in; |
|---|
| 1477 | mso-level-number-position:left; |
|---|
| 1478 | text-indent:-.25in;} |
|---|
| 1479 | @list l12:level6 |
|---|
| 1480 | {mso-level-tab-stop:3.0in; |
|---|
| 1481 | mso-level-number-position:left; |
|---|
| 1482 | text-indent:-.25in;} |
|---|
| 1483 | @list l12:level7 |
|---|
| 1484 | {mso-level-tab-stop:3.5in; |
|---|
| 1485 | mso-level-number-position:left; |
|---|
| 1486 | text-indent:-.25in;} |
|---|
| 1487 | @list l12:level8 |
|---|
| 1488 | {mso-level-tab-stop:4.0in; |
|---|
| 1489 | mso-level-number-position:left; |
|---|
| 1490 | text-indent:-.25in;} |
|---|
| 1491 | @list l12:level9 |
|---|
| 1492 | {mso-level-tab-stop:4.5in; |
|---|
| 1493 | mso-level-number-position:left; |
|---|
| 1494 | text-indent:-.25in;} |
|---|
| 1495 | @list l13 |
|---|
| 1496 | {mso-list-id:1162892763; |
|---|
| 1497 | mso-list-type:hybrid; |
|---|
| 1498 | mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1499 | @list l13:level1 |
|---|
| 1500 | {mso-level-number-format:alpha-lower; |
|---|
| 1501 | mso-level-tab-stop:none; |
|---|
| 1502 | mso-level-number-position:left; |
|---|
| 1503 | margin-left:1.0in; |
|---|
| 1504 | text-indent:-.25in;} |
|---|
| 1505 | @list l13:level2 |
|---|
| 1506 | {mso-level-tab-stop:1.0in; |
|---|
| 1507 | mso-level-number-position:left; |
|---|
| 1508 | text-indent:-.25in;} |
|---|
| 1509 | @list l13:level3 |
|---|
| 1510 | {mso-level-tab-stop:1.5in; |
|---|
| 1511 | mso-level-number-position:left; |
|---|
| 1512 | text-indent:-.25in;} |
|---|
| 1513 | @list l13:level4 |
|---|
| 1514 | {mso-level-tab-stop:2.0in; |
|---|
| 1515 | mso-level-number-position:left; |
|---|
| 1516 | text-indent:-.25in;} |
|---|
| 1517 | @list l13:level5 |
|---|
| 1518 | {mso-level-tab-stop:2.5in; |
|---|
| 1519 | mso-level-number-position:left; |
|---|
| 1520 | text-indent:-.25in;} |
|---|
| 1521 | @list l13:level6 |
|---|
| 1522 | {mso-level-tab-stop:3.0in; |
|---|
| 1523 | mso-level-number-position:left; |
|---|
| 1524 | text-indent:-.25in;} |
|---|
| 1525 | @list l13:level7 |
|---|
| 1526 | {mso-level-tab-stop:3.5in; |
|---|
| 1527 | mso-level-number-position:left; |
|---|
| 1528 | text-indent:-.25in;} |
|---|
| 1529 | @list l13:level8 |
|---|
| 1530 | {mso-level-tab-stop:4.0in; |
|---|
| 1531 | mso-level-number-position:left; |
|---|
| 1532 | text-indent:-.25in;} |
|---|
| 1533 | @list l13:level9 |
|---|
| 1534 | {mso-level-tab-stop:4.5in; |
|---|
| 1535 | mso-level-number-position:left; |
|---|
| 1536 | text-indent:-.25in;} |
|---|
| 1537 | @list l14 |
|---|
| 1538 | {mso-list-id:1323200535; |
|---|
| 1539 | mso-list-type:hybrid; |
|---|
| 1540 | mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1541 | @list l14:level1 |
|---|
| 1542 | {mso-level-number-format:alpha-lower; |
|---|
| 1543 | mso-level-tab-stop:none; |
|---|
| 1544 | mso-level-number-position:left; |
|---|
| 1545 | margin-left:1.0in; |
|---|
| 1546 | text-indent:-.25in;} |
|---|
| 1547 | @list l14:level2 |
|---|
| 1548 | {mso-level-tab-stop:1.0in; |
|---|
| 1549 | mso-level-number-position:left; |
|---|
| 1550 | text-indent:-.25in;} |
|---|
| 1551 | @list l14:level3 |
|---|
| 1552 | {mso-level-tab-stop:1.5in; |
|---|
| 1553 | mso-level-number-position:left; |
|---|
| 1554 | text-indent:-.25in;} |
|---|
| 1555 | @list l14:level4 |
|---|
| 1556 | {mso-level-tab-stop:2.0in; |
|---|
| 1557 | mso-level-number-position:left; |
|---|
| 1558 | text-indent:-.25in;} |
|---|
| 1559 | @list l14:level5 |
|---|
| 1560 | {mso-level-tab-stop:2.5in; |
|---|
| 1561 | mso-level-number-position:left; |
|---|
| 1562 | text-indent:-.25in;} |
|---|
| 1563 | @list l14:level6 |
|---|
| 1564 | {mso-level-tab-stop:3.0in; |
|---|
| 1565 | mso-level-number-position:left; |
|---|
| 1566 | text-indent:-.25in;} |
|---|
| 1567 | @list l14:level7 |
|---|
| 1568 | {mso-level-tab-stop:3.5in; |
|---|
| 1569 | mso-level-number-position:left; |
|---|
| 1570 | text-indent:-.25in;} |
|---|
| 1571 | @list l14:level8 |
|---|
| 1572 | {mso-level-tab-stop:4.0in; |
|---|
| 1573 | mso-level-number-position:left; |
|---|
| 1574 | text-indent:-.25in;} |
|---|
| 1575 | @list l14:level9 |
|---|
| 1576 | {mso-level-tab-stop:4.5in; |
|---|
| 1577 | mso-level-number-position:left; |
|---|
| 1578 | text-indent:-.25in;} |
|---|
| 1579 | @list l15 |
|---|
| 1580 | {mso-list-id:1326516832; |
|---|
| 1581 | mso-list-type:hybrid; |
|---|
| 1582 | mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1583 | @list l15:level1 |
|---|
| 1584 | {mso-level-tab-stop:none; |
|---|
| 1585 | mso-level-number-position:left; |
|---|
| 1586 | text-indent:-.25in;} |
|---|
| 1587 | @list l15:level2 |
|---|
| 1588 | {mso-level-tab-stop:1.0in; |
|---|
| 1589 | mso-level-number-position:left; |
|---|
| 1590 | text-indent:-.25in;} |
|---|
| 1591 | @list l15:level3 |
|---|
| 1592 | {mso-level-tab-stop:1.5in; |
|---|
| 1593 | mso-level-number-position:left; |
|---|
| 1594 | text-indent:-.25in;} |
|---|
| 1595 | @list l15:level4 |
|---|
| 1596 | {mso-level-tab-stop:2.0in; |
|---|
| 1597 | mso-level-number-position:left; |
|---|
| 1598 | text-indent:-.25in;} |
|---|
| 1599 | @list l15:level5 |
|---|
| 1600 | {mso-level-tab-stop:2.5in; |
|---|
| 1601 | mso-level-number-position:left; |
|---|
| 1602 | text-indent:-.25in;} |
|---|
| 1603 | @list l15:level6 |
|---|
| 1604 | {mso-level-tab-stop:3.0in; |
|---|
| 1605 | mso-level-number-position:left; |
|---|
| 1606 | text-indent:-.25in;} |
|---|
| 1607 | @list l15:level7 |
|---|
| 1608 | {mso-level-tab-stop:3.5in; |
|---|
| 1609 | mso-level-number-position:left; |
|---|
| 1610 | text-indent:-.25in;} |
|---|
| 1611 | @list l15:level8 |
|---|
| 1612 | {mso-level-tab-stop:4.0in; |
|---|
| 1613 | mso-level-number-position:left; |
|---|
| 1614 | text-indent:-.25in;} |
|---|
| 1615 | @list l15:level9 |
|---|
| 1616 | {mso-level-tab-stop:4.5in; |
|---|
| 1617 | mso-level-number-position:left; |
|---|
| 1618 | text-indent:-.25in;} |
|---|
| 1619 | @list l16 |
|---|
| 1620 | {mso-list-id:1394309879; |
|---|
| 1621 | mso-list-template-ids:326264828;} |
|---|
| 1622 | @list l16:level1 |
|---|
| 1623 | {mso-level-tab-stop:none; |
|---|
| 1624 | mso-level-number-position:left; |
|---|
| 1625 | text-indent:-.25in;} |
|---|
| 1626 | @list l16:level2 |
|---|
| 1627 | {mso-level-number-format:alpha-lower; |
|---|
| 1628 | mso-level-tab-stop:1.0in; |
|---|
| 1629 | mso-level-number-position:left; |
|---|
| 1630 | text-indent:-.25in; |
|---|
| 1631 | mso-ansi-font-size:12.0pt; |
|---|
| 1632 | font-family:"Times New Roman","serif"; |
|---|
| 1633 | mso-ansi-font-weight:normal; |
|---|
| 1634 | mso-ansi-font-style:normal;} |
|---|
| 1635 | @list l16:level3 |
|---|
| 1636 | {mso-level-tab-stop:1.5in; |
|---|
| 1637 | mso-level-number-position:left; |
|---|
| 1638 | text-indent:-.25in;} |
|---|
| 1639 | @list l16:level4 |
|---|
| 1640 | {mso-level-number-format:alpha-lower; |
|---|
| 1641 | mso-level-tab-stop:2.0in; |
|---|
| 1642 | mso-level-number-position:left; |
|---|
| 1643 | text-indent:-.25in;} |
|---|
| 1644 | @list l16:level5 |
|---|
| 1645 | {mso-level-tab-stop:2.5in; |
|---|
| 1646 | mso-level-number-position:left; |
|---|
| 1647 | text-indent:-.25in;} |
|---|
| 1648 | @list l16:level6 |
|---|
| 1649 | {mso-level-tab-stop:3.0in; |
|---|
| 1650 | mso-level-number-position:left; |
|---|
| 1651 | text-indent:-.25in;} |
|---|
| 1652 | @list l16:level7 |
|---|
| 1653 | {mso-level-tab-stop:3.5in; |
|---|
| 1654 | mso-level-number-position:left; |
|---|
| 1655 | text-indent:-.25in;} |
|---|
| 1656 | @list l16:level8 |
|---|
| 1657 | {mso-level-tab-stop:4.0in; |
|---|
| 1658 | mso-level-number-position:left; |
|---|
| 1659 | text-indent:-.25in;} |
|---|
| 1660 | @list l16:level9 |
|---|
| 1661 | {mso-level-tab-stop:4.5in; |
|---|
| 1662 | mso-level-number-position:left; |
|---|
| 1663 | text-indent:-.25in;} |
|---|
| 1664 | @list l17 |
|---|
| 1665 | {mso-list-id:1602683002; |
|---|
| 1666 | mso-list-type:hybrid; |
|---|
| 1667 | mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1668 | @list l17:level1 |
|---|
| 1669 | {mso-level-tab-stop:none; |
|---|
| 1670 | mso-level-number-position:left; |
|---|
| 1671 | text-indent:-.25in;} |
|---|
| 1672 | @list l17:level2 |
|---|
| 1673 | {mso-level-number-format:alpha-lower; |
|---|
| 1674 | mso-level-tab-stop:none; |
|---|
| 1675 | mso-level-number-position:left; |
|---|
| 1676 | text-indent:-.25in;} |
|---|
| 1677 | @list l17:level3 |
|---|
| 1678 | {mso-level-tab-stop:1.5in; |
|---|
| 1679 | mso-level-number-position:left; |
|---|
| 1680 | text-indent:-.25in;} |
|---|
| 1681 | @list l17:level4 |
|---|
| 1682 | {mso-level-tab-stop:2.0in; |
|---|
| 1683 | mso-level-number-position:left; |
|---|
| 1684 | text-indent:-.25in;} |
|---|
| 1685 | @list l17:level5 |
|---|
| 1686 | {mso-level-tab-stop:2.5in; |
|---|
| 1687 | mso-level-number-position:left; |
|---|
| 1688 | text-indent:-.25in;} |
|---|
| 1689 | @list l17:level6 |
|---|
| 1690 | {mso-level-tab-stop:3.0in; |
|---|
| 1691 | mso-level-number-position:left; |
|---|
| 1692 | text-indent:-.25in;} |
|---|
| 1693 | @list l17:level7 |
|---|
| 1694 | {mso-level-tab-stop:3.5in; |
|---|
| 1695 | mso-level-number-position:left; |
|---|
| 1696 | text-indent:-.25in;} |
|---|
| 1697 | @list l17:level8 |
|---|
| 1698 | {mso-level-tab-stop:4.0in; |
|---|
| 1699 | mso-level-number-position:left; |
|---|
| 1700 | text-indent:-.25in;} |
|---|
| 1701 | @list l17:level9 |
|---|
| 1702 | {mso-level-tab-stop:4.5in; |
|---|
| 1703 | mso-level-number-position:left; |
|---|
| 1704 | text-indent:-.25in;} |
|---|
| 1705 | @list l18 |
|---|
| 1706 | {mso-list-id:1669404025; |
|---|
| 1707 | mso-list-type:hybrid; |
|---|
| 1708 | mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 1709 | @list l18:level1 |
|---|
| 1710 | {mso-level-number-format:alpha-lower; |
|---|
| 1711 | mso-level-tab-stop:none; |
|---|
| 1712 | mso-level-number-position:left; |
|---|
| 1713 | margin-left:1.0in; |
|---|
| 1714 | text-indent:-.25in; |
|---|
| 1715 | mso-ansi-font-weight:normal;} |
|---|
| 1716 | @list l18:level2 |
|---|
| 1717 | {mso-level-tab-stop:1.0in; |
|---|
| 1718 | mso-level-number-position:left; |
|---|
| 1719 | text-indent:-.25in;} |
|---|
| 1720 | @list l18:level3 |
|---|
| 1721 | {mso-level-tab-stop:112.5pt; |
|---|
| 1722 | mso-level-number-position:left; |
|---|
| 1723 | margin-left:112.5pt; |
|---|
| 1724 | text-indent:-.25in;} |
|---|
| 1725 | @list l18:level4 |
|---|
| 1726 | {mso-level-tab-stop:2.0in; |
|---|
| 1727 | mso-level-number-position:left; |
|---|
| 1728 | text-indent:-.25in;} |
|---|
| 1729 | @list l18:level5 |
|---|
| 1730 | {mso-level-tab-stop:2.5in; |
|---|
| 1731 | mso-level-number-position:left; |
|---|
| 1732 | text-indent:-.25in;} |
|---|
| 1733 | @list l18:level6 |
|---|
| 1734 | {mso-level-tab-stop:3.0in; |
|---|
| 1735 | mso-level-number-position:left; |
|---|
| 1736 | text-indent:-.25in;} |
|---|
| 1737 | @list l18:level7 |
|---|
| 1738 | {mso-level-tab-stop:3.5in; |
|---|
| 1739 | mso-level-number-position:left; |
|---|
| 1740 | text-indent:-.25in;} |
|---|
| 1741 | @list l18:level8 |
|---|
| 1742 | {mso-level-tab-stop:4.0in; |
|---|
| 1743 | mso-level-number-position:left; |
|---|
| 1744 | text-indent:-.25in;} |
|---|
| 1745 | @list l18:level9 |
|---|
| 1746 | {mso-level-tab-stop:4.5in; |
|---|
| 1747 | mso-level-number-position:left; |
|---|
| 1748 | text-indent:-.25in;} |
|---|
| 1749 | @list l19 |
|---|
| 1750 | {mso-list-id:1753089587; |
|---|
| 1751 | mso-list-template-ids:1555050902;} |
|---|
| 1752 | @list l19:level1 |
|---|
| 1753 | {mso-level-tab-stop:none; |
|---|
| 1754 | mso-level-number-position:left; |
|---|
| 1755 | text-indent:-.25in;} |
|---|
| 1756 | @list l19:level2 |
|---|
| 1757 | {mso-level-tab-stop:1.0in; |
|---|
| 1758 | mso-level-number-position:left; |
|---|
| 1759 | text-indent:-.25in;} |
|---|
| 1760 | @list l19:level3 |
|---|
| 1761 | {mso-level-tab-stop:1.5in; |
|---|
| 1762 | mso-level-number-position:left; |
|---|
| 1763 | text-indent:-.25in;} |
|---|
| 1764 | @list l19:level4 |
|---|
| 1765 | {mso-level-tab-stop:2.0in; |
|---|
| 1766 | mso-level-number-position:left; |
|---|
| 1767 | text-indent:-.25in;} |
|---|
| 1768 | @list l19:level5 |
|---|
| 1769 | {mso-level-tab-stop:2.5in; |
|---|
| 1770 | mso-level-number-position:left; |
|---|
| 1771 | text-indent:-.25in;} |
|---|
| 1772 | @list l19:level6 |
|---|
| 1773 | {mso-level-tab-stop:3.0in; |
|---|
| 1774 | mso-level-number-position:left; |
|---|
| 1775 | text-indent:-.25in;} |
|---|
| 1776 | @list l19:level7 |
|---|
| 1777 | {mso-level-tab-stop:3.5in; |
|---|
| 1778 | mso-level-number-position:left; |
|---|
| 1779 | text-indent:-.25in;} |
|---|
| 1780 | @list l19:level8 |
|---|
| 1781 | {mso-level-tab-stop:4.0in; |
|---|
| 1782 | mso-level-number-position:left; |
|---|
| 1783 | text-indent:-.25in;} |
|---|
| 1784 | @list l19:level9 |
|---|
| 1785 | {mso-level-tab-stop:4.5in; |
|---|
| 1786 | mso-level-number-position:left; |
|---|
| 1787 | text-indent:-.25in;} |
|---|
| 1788 | @list l20 |
|---|
| 1789 | {mso-list-id:2029942403; |
|---|
| 1790 | mso-list-template-ids:1555050902;} |
|---|
| 1791 | @list l20:level1 |
|---|
| 1792 | {mso-level-tab-stop:none; |
|---|
| 1793 | mso-level-number-position:left; |
|---|
| 1794 | text-indent:-.25in;} |
|---|
| 1795 | @list l20:level2 |
|---|
| 1796 | {mso-level-tab-stop:1.0in; |
|---|
| 1797 | mso-level-number-position:left; |
|---|
| 1798 | text-indent:-.25in;} |
|---|
| 1799 | @list l20:level3 |
|---|
| 1800 | {mso-level-tab-stop:1.5in; |
|---|
| 1801 | mso-level-number-position:left; |
|---|
| 1802 | text-indent:-.25in;} |
|---|
| 1803 | @list l20:level4 |
|---|
| 1804 | {mso-level-tab-stop:2.0in; |
|---|
| 1805 | mso-level-number-position:left; |
|---|
| 1806 | text-indent:-.25in;} |
|---|
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| 1910 | ul |
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| 1911 | {margin-bottom:0in;} |
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| 1912 | --> |
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| 1913 | </style> |
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| 1914 | <!--[if gte mso 10]> |
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| 1915 | <style> |
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| 1916 | /* Style Definitions */ |
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| 1917 | table.MsoNormalTable |
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| 1918 | {mso-style-name:"Table Normal"; |
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| 1919 | mso-tstyle-rowband-size:0; |
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| 1930 | </style> |
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| 1931 | <![endif]--> |
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| 1932 | <link href=gsasIIfav.png rel="SHORTCUT ICON"> |
|---|
| 1933 | <!--[if gte mso 9]><xml> |
|---|
| 1934 | <o:shapedefaults v:ext="edit" spidmax="1027"/> |
|---|
| 1935 | </xml><![endif]--><!--[if gte mso 9]><xml> |
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| 1936 | <o:shapelayout v:ext="edit"> |
|---|
| 1937 | <o:idmap v:ext="edit" data="1"/> |
|---|
| 1938 | </o:shapelayout></xml><![endif]--> |
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| 1939 | </head> |
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| 1940 | |
|---|
| 1941 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
|---|
| 1942 | |
|---|
| 1943 | <div class=WordSection1> |
|---|
| 1944 | |
|---|
| 1945 | <h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600" |
|---|
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|---|
| 1947 | stroked="f"> |
|---|
| 1948 | <v:stroke joinstyle="miter"/> |
|---|
| 1949 | <v:formulas> |
|---|
| 1950 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
|---|
| 1951 | <v:f eqn="sum @0 1 0"/> |
|---|
| 1952 | <v:f eqn="sum 0 0 @1"/> |
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| 1961 | <v:f eqn="sum @10 21600 0"/> |
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| 1962 | </v:formulas> |
|---|
| 1963 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
|---|
| 1964 | <o:lock v:ext="edit" aspectratio="t"/> |
|---|
| 1965 | </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75" |
|---|
| 1966 | alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo" |
|---|
| 1967 | style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt; |
|---|
| 1968 | z-index:251657728;visibility:visible;mso-wrap-style:square; |
|---|
| 1969 | mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0; |
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| 1970 | mso-wrap-distance-top:0;mso-wrap-distance-right:0;mso-wrap-distance-bottom:0; |
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| 1971 | mso-position-horizontal:right;mso-position-horizontal-relative:text; |
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| 1972 | mso-position-vertical:absolute;mso-position-vertical-relative:line; |
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| 1973 | mso-width-percent:0;mso-height-percent:0;mso-width-relative:page; |
|---|
| 1974 | mso-height-relative:page' o:allowoverlap="f"> |
|---|
| 1975 | <v:imagedata src="gsas2logo.png"/> |
|---|
| 1976 | <w:wrap type="square" anchory="line"/> |
|---|
| 1977 | </v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png |
|---|
| 1978 | align=right |
|---|
| 1979 | alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo" |
|---|
| 1980 | v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help |
|---|
| 1981 | for GSAS-II<o:p></o:p></span></h1> |
|---|
| 1982 | |
|---|
| 1983 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1984 | is where to find help on various GSAS-II windows and plots. Note that GSAS-II |
|---|
| 1985 | operates with four windows: the main <a href="#Data_tree">GSAS-II data tree</a> |
|---|
| 1986 | window, which provides a hierarchical view of the current project; the <a |
|---|
| 1987 | href="#Data_Frame">GSAS-II data editing</a> window, which shows the contents of |
|---|
| 1988 | a particular section of the project, where values can be examined and changed; |
|---|
| 1989 | the <a href="#Plots">GSAS-II Plots</a> window, which shows graphical |
|---|
| 1990 | representations of the results; and the console which has printout information |
|---|
| 1991 | that can be selected, cut & pasted into a document. <o:p></o:p></span></p> |
|---|
| 1992 | |
|---|
| 1993 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 1994 | |
|---|
| 1995 | <h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2> |
|---|
| 1996 | |
|---|
| 1997 | <p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span |
|---|
| 1998 | style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p> |
|---|
| 1999 | |
|---|
| 2000 | <p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight: |
|---|
| 2001 | normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p> |
|---|
| 2002 | |
|---|
| 2003 | <p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight: |
|---|
| 2004 | normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p> |
|---|
| 2005 | |
|---|
| 2006 | <p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span |
|---|
| 2007 | style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with |
|---|
| 2008 | constraints</span></a><o:p></o:p></strong></p> |
|---|
| 2009 | |
|---|
| 2010 | <p class=MsoNormal><strong><a href="Combined%20refinement.htm"><span |
|---|
| 2011 | style='font-weight:normal'>Combined neutron x-ray Rietveld refinement and |
|---|
| 2012 | Fourier maps</span></a><o:p></o:p></strong></p> |
|---|
| 2013 | |
|---|
| 2014 | <p class=MsoNormal><strong><a |
|---|
| 2015 | href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span |
|---|
| 2016 | style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p> |
|---|
| 2017 | |
|---|
| 2018 | <p class=MsoNormal><strong><a |
|---|
| 2019 | href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span |
|---|
| 2020 | style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p> |
|---|
| 2021 | |
|---|
| 2022 | <p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p> |
|---|
| 2023 | |
|---|
| 2024 | <p class=MsoNormal><strong>Charge flipping structure solution (future)<o:p></o:p></strong></p> |
|---|
| 2025 | |
|---|
| 2026 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 2027 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2028 | |
|---|
| 2029 | <hr size=2 width="100%" align=center> |
|---|
| 2030 | |
|---|
| 2031 | </span></div> |
|---|
| 2032 | |
|---|
| 2033 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 2034 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2035 | |
|---|
| 2036 | <hr size=2 width="100%" align=center> |
|---|
| 2037 | |
|---|
| 2038 | </span></div> |
|---|
| 2039 | |
|---|
| 2040 | <h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1. |
|---|
| 2041 | GSAS-II data tree<o:p></o:p></span></h2> |
|---|
| 2042 | |
|---|
| 2043 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2044 | is a hierarchical view of the data items in your GSAS-II project (name.gpx). |
|---|
| 2045 | Clicking on any item in the tree opens a window where information in that item |
|---|
| 2046 | can be viewed or edited. For example, the <a href="#Sample_Parameters">"Sample |
|---|
| 2047 | Parameters"</a> item under a ‘PWDR’ entry contains information |
|---|
| 2048 | about how data were collected, such as the sample temperature <a |
|---|
| 2049 | href="#Sample_Parameters">(see below)</a>. The arrow keys (up & down) move |
|---|
| 2050 | the selection to successive entries in the data tree; both the data window and |
|---|
| 2051 | the associated plot (if any) will change.<o:p></o:p></span></p> |
|---|
| 2052 | |
|---|
| 2053 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4> |
|---|
| 2054 | |
|---|
| 2055 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 2056 | menus associated with this window provide access to many features of GSAS-II, |
|---|
| 2057 | as outlined below: <o:p></o:p></span></p> |
|---|
| 2058 | |
|---|
| 2059 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span |
|---|
| 2060 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2061 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 2062 | ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – </p> |
|---|
| 2063 | |
|---|
| 2064 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2065 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2066 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2067 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2068 | style='mso-bidi-font-weight:normal'>Open project…</b> - Open a previously |
|---|
| 2069 | saved GSAS-II project file (name.gpx). If you currently have a project file |
|---|
| 2070 | open, you are asked if it is OK to over write it; Cancel will cancel the |
|---|
| 2071 | process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span |
|---|
| 2072 | class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version |
|---|
| 2073 | of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>… |
|---|
| 2074 | to e.g. name.gpx to overwrite the current version. Otherwise you may get |
|---|
| 2075 | backups of your backup file (e.g. name.bak3.bak0.gpx, etc.).</p> |
|---|
| 2076 | |
|---|
| 2077 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2078 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2079 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2080 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2081 | style='mso-bidi-font-weight:normal'>Save project</b> – Save the current |
|---|
| 2082 | project. If a file name is shown after ‘Loaded Data:’ in the data |
|---|
| 2083 | tree<span style='mso-fareast-font-family:"Times New Roman"'>, it will be saved |
|---|
| 2084 | there. Otherwise, you will be prompted for a new name in a file dialog (you may |
|---|
| 2085 | change directory as well). If the file exists, you will be asked if it OK to |
|---|
| 2086 | overwrite.</span></p> |
|---|
| 2087 | |
|---|
| 2088 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2089 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2090 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2091 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2092 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save |
|---|
| 2093 | As…</span></b><span style='mso-fareast-font-family:"Times New Roman"'> - |
|---|
| 2094 | Save the current project to a new file. A file dialog will be shown to enter |
|---|
| 2095 | the name (and change directory if desired). If the file exists, you will be |
|---|
| 2096 | asked if it OK to overwrite.</span></p> |
|---|
| 2097 | |
|---|
| 2098 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2099 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2100 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2101 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2102 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close |
|---|
| 2103 | project</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2104 | – Close the current project; you will be asked if you want to save it |
|---|
| 2105 | first.</span></p> |
|---|
| 2106 | |
|---|
| 2107 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2108 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2109 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 2110 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2111 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span |
|---|
| 2112 | style='mso-fareast-font-family:"Times New Roman"'> – Exit the GSAS-II |
|---|
| 2113 | program; if there is a current project you will be asked if you want to save it |
|---|
| 2114 | first. Pressing the red X in the upper right (Windows) also exits (no save |
|---|
| 2115 | option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> |
|---|
| 2116 | |
|---|
| 2117 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><b |
|---|
| 2118 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2119 | style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2120 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Menu |
|---|
| 2121 | ‘Data’ – <o:p></o:p></b></p> |
|---|
| 2122 | |
|---|
| 2123 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2124 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2125 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2126 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2127 | style='mso-bidi-font-weight:normal'>Read image data… - Read in 2-D powder |
|---|
| 2128 | diffraction images (multiple patterns can be selected). GSAS-II can read many |
|---|
| 2129 | different image file</b> formats including MAR345 files, Quantum ADSC files, |
|---|
| 2130 | and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these |
|---|
| 2131 | formats have data fields that should contain relevant information for the |
|---|
| 2132 | exposure (e.g. wavelength), these are rarely filled in correctly by the data |
|---|
| 2133 | acquisition software. Thus, you should have separately noted this information |
|---|
| 2134 | as it will be needed</p> |
|---|
| 2135 | |
|---|
| 2136 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2137 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2138 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2139 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2140 | style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks…</b> - Read |
|---|
| 2141 | in a list of powder pattern peak positions as either a d-spacing table or a set |
|---|
| 2142 | of 2<span style='font-family:Symbol'>Q</span> positions; these can be used in |
|---|
| 2143 | GSAS-II powder pattern indexing. </p> |
|---|
| 2144 | |
|---|
| 2145 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2146 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2147 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2148 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2149 | style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p> |
|---|
| 2150 | |
|---|
| 2151 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2152 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2153 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2154 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2155 | style='mso-bidi-font-weight:normal'>Sum image data</b> - </p> |
|---|
| 2156 | |
|---|
| 2157 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2158 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2159 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 2160 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2161 | style='mso-bidi-font-weight:normal'>Add phase</b> – This begins the |
|---|
| 2162 | creation of a new phase in the data tree (under Phases). You are first prompted |
|---|
| 2163 | in a dialog box for a name to be assigned to the new phase. Then the <b |
|---|
| 2164 | style='mso-bidi-font-weight:normal'><a href="#General">General</a></b> tab is |
|---|
| 2165 | opened for this phase; you should first select the phase type, enter the space |
|---|
| 2166 | group symbol and then lattice parameters. Note that nonstandard space group |
|---|
| 2167 | symbols are permitted; there must be spaces between the axial fields (e.g. use |
|---|
| 2168 | ‘P n a 21’ not ‘Pna21’).</p> |
|---|
| 2169 | |
|---|
| 2170 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2171 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2172 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 2173 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2174 | style='mso-bidi-font-weight:normal'>Delete phase</b> – This will remove a |
|---|
| 2175 | phase from the data tree. A dialog box will present the list of phases; pick |
|---|
| 2176 | one (or more) to delete.</p> |
|---|
| 2177 | |
|---|
| 2178 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2179 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2180 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span |
|---|
| 2181 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2182 | style='mso-bidi-font-weight:normal'>Rename data</b> – This might be a bad |
|---|
| 2183 | idea!!</p> |
|---|
| 2184 | |
|---|
| 2185 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2186 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2187 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span |
|---|
| 2188 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2189 | style='mso-bidi-font-weight:normal'>Delete data</b> – This will remove an |
|---|
| 2190 | item from the data tree. A dialog box with a list of choices is presented.</p> |
|---|
| 2191 | |
|---|
| 2192 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span |
|---|
| 2193 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2194 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 2195 | ‘<b style='mso-bidi-font-weight:normal'>Calculate</b>’ – </p> |
|---|
| 2196 | |
|---|
| 2197 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2198 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2199 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2200 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2201 | style='mso-bidi-font-weight:normal'>Make new PDFs</b> – This creates the |
|---|
| 2202 | pair distribution function (PDF) controls for each powder pattern selected in |
|---|
| 2203 | the dialog box. See <b style='mso-bidi-font-weight:normal'><span |
|---|
| 2204 | style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF |
|---|
| 2205 | Controls</a></span></b> for further directions.</p> |
|---|
| 2206 | |
|---|
| 2207 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2208 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2209 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2210 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2211 | style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b> |
|---|
| 2212 | – This shows a dialog box with all the parameters for your project; those |
|---|
| 2213 | to be refined are flagged ‘True’, otherwise ‘False’. |
|---|
| 2214 | Blanks indicate parameters that are not <span class=SpellE>refinable</span>. |
|---|
| 2215 | The total number of refined parameters is also shown at the top of the list. |
|---|
| 2216 | The value of each parameter is also given. The parameter names are of the form |
|---|
| 2217 | ‘p<span class=GramE>:h:name:id’</span> where ‘p’ is the |
|---|
| 2218 | phase index, ‘h’ is the histogram index and ‘id’ is the |
|---|
| 2219 | item index (if needed). Indexes all begin with ‘0’ (zero). Note |
|---|
| 2220 | that for atom positions the value is not a <span class=SpellE>refinable</span> |
|---|
| 2221 | parameter, but the shift in the value is. Position names are, e.g. ‘0:<span |
|---|
| 2222 | class=GramE>:Ax:0’</span> for the x-position of the <span class=SpellE>zeroth</span> |
|---|
| 2223 | atom in the <span class=SpellE>zeroth</span> phase while shift names have a |
|---|
| 2224 | ‘d’ in then, e.g. ‘0::dAx:0’. </p> |
|---|
| 2225 | |
|---|
| 2226 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2227 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2228 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2229 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2230 | style='mso-bidi-font-weight:normal'>Refine</b> – This performs the |
|---|
| 2231 | refinement (Pawley/Rietveld or single crystal) according to the controls set in |
|---|
| 2232 | the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> |
|---|
| 2233 | data tree item.</p> |
|---|
| 2234 | |
|---|
| 2235 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2236 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2237 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2238 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2239 | style='mso-bidi-font-weight:normal'>Sequential refine</b> – This starts a |
|---|
| 2240 | sequential refinement with the data sets selected in the <b style='mso-bidi-font-weight: |
|---|
| 2241 | normal'><a href="#Controls">Controls</a></b> data tree item.</p> |
|---|
| 2242 | |
|---|
| 2243 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span |
|---|
| 2244 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2245 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 2246 | ‘<b style='mso-bidi-font-weight:normal'>Import</b>’ – </p> |
|---|
| 2247 | |
|---|
| 2248 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2249 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2250 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2251 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2252 | style='mso-bidi-font-weight:normal'>Phase - </b></p> |
|---|
| 2253 | |
|---|
| 2254 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2255 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2256 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2257 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2258 | class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b |
|---|
| 2259 | style='mso-bidi-font-weight:normal'> GSAS .EXP file - </b>This reads one phase |
|---|
| 2260 | from a GSAS experiment file (name.EXP). The file name is found in a directory |
|---|
| 2261 | dialog; you can change directories as needed. Only .EXP (or .exp) file names |
|---|
| 2262 | are shown. If the selected file has more than one phase, a dialog is shown with |
|---|
| 2263 | the choices; only one can be chosen. If you want more than one, redo the <b |
|---|
| 2264 | style='mso-bidi-font-weight:normal'>Import/Phase/from GSAS .EXP file</b> |
|---|
| 2265 | command. After selecting a phase, a dialog box is shown with the proposed phase |
|---|
| 2266 | name. You can change it if desired.</p> |
|---|
| 2267 | |
|---|
| 2268 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2269 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2270 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2271 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2272 | class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b |
|---|
| 2273 | style='mso-bidi-font-weight:normal'> PDB file</b> - This reads the |
|---|
| 2274 | macromolecular phase information from a Protein Data Base file (name.PDB or |
|---|
| 2275 | name.ENT). The file name is found in a directory dialog; you can change |
|---|
| 2276 | directories as needed. Only .PDB or .ENT file names are shown. Be careful that |
|---|
| 2277 | the space group symbol on the ‘CRYST1’ record in the PDB file |
|---|
| 2278 | follows the GSAS-II conventions (e.g. with spaces between axial fields). A |
|---|
| 2279 | dialog box is shown with the proposed phase name. You can change it if desired.</p> |
|---|
| 2280 | |
|---|
| 2281 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2282 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2283 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2284 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2285 | class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b |
|---|
| 2286 | style='mso-bidi-font-weight:normal'> CIF file</b> This reads one phase from a |
|---|
| 2287 | Crystallographic Information File (name.CIF). The file name is found in a |
|---|
| 2288 | directory dialog; you can change directories as needed. Only .CIF (or .<span |
|---|
| 2289 | class=SpellE>cif</span>) file names are shown. If the selected file has more |
|---|
| 2290 | than one phase, a dialog is shown with the choices; only one can be chosen. If |
|---|
| 2291 | you want more than one, redo the <b style='mso-bidi-font-weight:normal'>Import/Phase/from |
|---|
| 2292 | CIF</b> <b style='mso-bidi-font-weight:normal'>file</b> command. After |
|---|
| 2293 | selecting a phase, a dialog box is shown with the proposed phase name. You can |
|---|
| 2294 | change it if desired.</p> |
|---|
| 2295 | |
|---|
| 2296 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2297 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2298 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2299 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2300 | class=GramE><b style='mso-bidi-font-weight:normal'>from</b></span><b |
|---|
| 2301 | style='mso-bidi-font-weight:normal'> GSAS-II <span class=SpellE>gpx</span> file</b> |
|---|
| 2302 | This reads one phase from a GSAS-II project file (name.GPX). The file name is |
|---|
| 2303 | found in a directory dialog; you can change directories as needed. Only .GPX |
|---|
| 2304 | (or .<span class=SpellE>gpx</span>) file names are shown. If the selected file |
|---|
| 2305 | has more than one phase, a dialog is shown with the choices; only one can be |
|---|
| 2306 | chosen. If you want more than one, redo the <b style='mso-bidi-font-weight: |
|---|
| 2307 | normal'>Import/Phase/from GSAS-II <span class=SpellE>gpx</span> file</b> |
|---|
| 2308 | command. After selecting a phase, a dialog box is shown with the proposed phase |
|---|
| 2309 | name. You can change it if desired.</p> |
|---|
| 2310 | |
|---|
| 2311 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2312 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2313 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 2314 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2315 | class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b |
|---|
| 2316 | style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read |
|---|
| 2317 | one phase from a file trying the formats as described above.</p> |
|---|
| 2318 | |
|---|
| 2319 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2320 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><b |
|---|
| 2321 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2322 | style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2323 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Powder |
|---|
| 2324 | Data – <o:p></o:p></b></p> |
|---|
| 2325 | |
|---|
| 2326 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2327 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2328 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2329 | style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2330 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from |
|---|
| 2331 | CIF file <o:p></o:p></b></p> |
|---|
| 2332 | |
|---|
| 2333 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2334 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2335 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2336 | style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2337 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from |
|---|
| 2338 | GSAS file <o:p></o:p></b></p> |
|---|
| 2339 | |
|---|
| 2340 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2341 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2342 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2343 | style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2344 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from <span |
|---|
| 2345 | class=SpellE>Topas</span> <span class=SpellE>xye</span> file <o:p></o:p></b></p> |
|---|
| 2346 | |
|---|
| 2347 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2348 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span |
|---|
| 2349 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2350 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2351 | class=GramE><b style='mso-bidi-font-weight:normal'>guess</b></span><b |
|---|
| 2352 | style='mso-bidi-font-weight:normal'> format from file </b>This attempts to read |
|---|
| 2353 | one powder diffraction pattern (histogram) from a file trying the formats as |
|---|
| 2354 | described above.</p> |
|---|
| 2355 | |
|---|
| 2356 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2357 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><b |
|---|
| 2358 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2359 | style='mso-list:Ignore'>c.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2360 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>Structure |
|---|
| 2361 | Factor – <o:p></o:p></b></p> |
|---|
| 2362 | |
|---|
| 2363 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2364 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2365 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2366 | style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2367 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from |
|---|
| 2368 | HKL file<o:p></o:p></b></p> |
|---|
| 2369 | |
|---|
| 2370 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2371 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2372 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2373 | style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2374 | </span></span></span></b><![endif]><b style='mso-bidi-font-weight:normal'>from |
|---|
| 2375 | CIF file<o:p></o:p></b></p> |
|---|
| 2376 | |
|---|
| 2377 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: |
|---|
| 2378 | auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><b |
|---|
| 2379 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'><span |
|---|
| 2380 | style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2381 | </span></span></span></b><![endif]><span class=GramE><b style='mso-bidi-font-weight: |
|---|
| 2382 | normal'>guess</b></span><b style='mso-bidi-font-weight:normal'> format from |
|---|
| 2383 | file</b> This attempts to read one set of single crystal structure factors from |
|---|
| 2384 | a file trying the formats as described above.<b style='mso-bidi-font-weight: |
|---|
| 2385 | normal'><o:p></o:p></b></p> |
|---|
| 2386 | |
|---|
| 2387 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span |
|---|
| 2388 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 2389 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 2390 | ‘<b style='mso-bidi-font-weight:normal'>Export</b>’ –</p> |
|---|
| 2391 | |
|---|
| 2392 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2393 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2394 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2395 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2396 | style='mso-bidi-font-weight:normal'>Export Powder Patterns…</b> - </p> |
|---|
| 2397 | |
|---|
| 2398 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2399 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2400 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2401 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2402 | style='mso-bidi-font-weight:normal'>Export All Peak Lists…</b> - </p> |
|---|
| 2403 | |
|---|
| 2404 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2405 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2406 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2407 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2408 | style='mso-bidi-font-weight:normal'>Export HKLs…</b> - </p> |
|---|
| 2409 | |
|---|
| 2410 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2411 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2412 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2413 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2414 | style='mso-bidi-font-weight:normal'>Export PDF…</b> - </p> |
|---|
| 2415 | |
|---|
| 2416 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2417 | auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2418 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 2419 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2420 | style='mso-bidi-font-weight:normal'>Export Phase…</b> - </p> |
|---|
| 2421 | |
|---|
| 2422 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 2423 | text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span |
|---|
| 2424 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 2425 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2426 | style='mso-bidi-font-weight:normal'>Export CIF…</b> - </p> |
|---|
| 2427 | |
|---|
| 2428 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 2429 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2430 | |
|---|
| 2431 | <hr size=2 width="100%" align=center> |
|---|
| 2432 | |
|---|
| 2433 | </span></div> |
|---|
| 2434 | |
|---|
| 2435 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 2436 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2437 | |
|---|
| 2438 | <hr size=2 width="100%" align=center> |
|---|
| 2439 | |
|---|
| 2440 | </span></div> |
|---|
| 2441 | |
|---|
| 2442 | <h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times New Roman"'>2. |
|---|
| 2443 | GSAS-II Data Editing Window</span></a><span style='mso-fareast-font-family: |
|---|
| 2444 | "Times New Roman"'><o:p></o:p></span></h2> |
|---|
| 2445 | |
|---|
| 2446 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Different |
|---|
| 2447 | information is displayed in the Data Editing Window, depending on which section |
|---|
| 2448 | of the <a href="#Data_tree">data tree</a> is selected. For example, clicking on |
|---|
| 2449 | the "Notebook" entry of the tree brings up the Notebook editing |
|---|
| 2450 | window described below. <o:p></o:p></span></p> |
|---|
| 2451 | |
|---|
| 2452 | <h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span |
|---|
| 2453 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 2454 | |
|---|
| 2455 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2456 | window provides a place for you to enter whatever text commentary you wish. |
|---|
| 2457 | Each time you enter this window, a date/time entry is provided for you. A |
|---|
| 2458 | possibly useful technique is to select a portion of the console window after a |
|---|
| 2459 | refinement completes (it will contain refinement results with residuals, new |
|---|
| 2460 | values & <span class=SpellE>esds</span>) and paste it into this Notebook |
|---|
| 2461 | window so it becomes a part of your project file.<o:p></o:p></span></p> |
|---|
| 2462 | |
|---|
| 2463 | <h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span |
|---|
| 2464 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 2465 | |
|---|
| 2466 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2467 | window provides the main controls for the major calculations in GSAS-II. At |
|---|
| 2468 | present only Refinement Controls are presented. <o:p></o:p></span></p> |
|---|
| 2469 | |
|---|
| 2470 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two |
|---|
| 2471 | of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span> |
|---|
| 2472 | MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> |
|---|
| 2473 | algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span> |
|---|
| 2474 | package and a third one is a python version utilizing only the <span |
|---|
| 2475 | class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of |
|---|
| 2476 | the squares of M<span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2477 | nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt |
|---|
| 2478 | algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> |
|---|
| 2479 | routines were written by </span>Burton S. <span class=SpellE>Garbow</span>, |
|---|
| 2480 | Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span> |
|---|
| 2481 | J. <span class=GramE>More (Argonne National Laboratory, 1980).</span> The |
|---|
| 2482 | python/numpy version was developed by us based on the material in Numerical |
|---|
| 2483 | Recipes (Press, Flannery, <span class=SpellE><span class=GramE>Teulosky</span></span> |
|---|
| 2484 | & <span class=SpellE>Vetterling</span>) for the <span class=SpellE>Levenberg</span>-Marquardt |
|---|
| 2485 | algorithm.<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> |
|---|
| 2486 | |
|---|
| 2487 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2488 | |
|---|
| 2489 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span |
|---|
| 2490 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2491 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2492 | style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement |
|---|
| 2493 | uses ‘analytic <span class=SpellE>Jacobian</span>’, ‘analytic |
|---|
| 2494 | Hessian’ or ‘numeric’ derivatives. The last is slower and |
|---|
| 2495 | perhaps a bit less accurate, but may be needed if the analytic functions are |
|---|
| 2496 | not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N |
|---|
| 2497 | x M (parameters x observations) and is much larger than the Hessian matrix |
|---|
| 2498 | which is shaped M x M (parameters x parameters). Generally use ‘analytic |
|---|
| 2499 | Hessian’ for routine work.<o:p></o:p></span></p> |
|---|
| 2500 | |
|---|
| 2501 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span |
|---|
| 2502 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2503 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2504 | style='mso-fareast-font-family:"Times New Roman"'>Select ‘Min |
|---|
| 2505 | delta-M/M’ for convergence; the refinement will stop when the change in |
|---|
| 2506 | the minimization function is less than this value. Set Min delta-M/M = 1.0 to |
|---|
| 2507 | force just a single cycle to be performed. A value less than 10<sup>-4</sup> |
|---|
| 2508 | (the default) generally gives no better result. The allowed range is 10<sup>-9</sup> |
|---|
| 2509 | to 1.0.<o:p></o:p></span></p> |
|---|
| 2510 | |
|---|
| 2511 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span |
|---|
| 2512 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2513 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2514 | style='mso-fareast-font-family:"Times New Roman"'>If ‘analytic |
|---|
| 2515 | Jacobean’ is chosen then select ‘Initial shift factor’ for |
|---|
| 2516 | the first cycle of refinement. This value is modified by the least squares |
|---|
| 2517 | routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be |
|---|
| 2518 | needed if your initial <span class=GramE>refinement</span> trials immediately |
|---|
| 2519 | diverge, however make sure your starting parameter values are |
|---|
| 2520 | ‘reasonable’. The selected default (=1.0) normally gives good |
|---|
| 2521 | performance.<o:p></o:p></span></p> |
|---|
| 2522 | |
|---|
| 2523 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span |
|---|
| 2524 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2525 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2526 | style='mso-fareast-font-family:"Times New Roman"'>If ‘analytic |
|---|
| 2527 | Hessian’ is chosen then select ‘Max cycles’, the maximum |
|---|
| 2528 | number of least squares cycles to be performed. Least squares cycles are |
|---|
| 2529 | determined by the number of times a new Hessian matrix is computes; the <span |
|---|
| 2530 | class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function |
|---|
| 2531 | several times between cycles as it finds the optimal value of the Marquardt |
|---|
| 2532 | coefficient. Choices are given in the pull down selection; the default is 3 |
|---|
| 2533 | cycles.<o:p></o:p></span></p> |
|---|
| 2534 | |
|---|
| 2535 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span |
|---|
| 2536 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 2537 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2538 | style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential |
|---|
| 2539 | refinement; the data sets may be done in ‘reverse order’. <o:p></o:p></span></p> |
|---|
| 2540 | |
|---|
| 2541 | <h4>Covariance<span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 2542 | |
|---|
| 2543 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2544 | window is blank; the GSASII Plots window ‘<a href="#Covariance">Covariance’</a> |
|---|
| 2545 | shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p> |
|---|
| 2546 | |
|---|
| 2547 | <h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4> |
|---|
| 2548 | |
|---|
| 2549 | <span style='mso-bookmark:Constraints'></span> |
|---|
| 2550 | |
|---|
| 2551 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2552 | window shows the constraints to be used in a refinement. It is organized into |
|---|
| 2553 | three tabbed pages. ‘Phase constraints’ contain those involving |
|---|
| 2554 | parameters that describe aspects of the crystalline phases to be used in the |
|---|
| 2555 | refinement (e.g. atom coordinates, thermal motion and site fraction |
|---|
| 2556 | parameters). ‘Histogram/Phase constraints’ are those which describe |
|---|
| 2557 | aspects of the pattern that depend on both the phase and the data set used in |
|---|
| 2558 | the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family: |
|---|
| 2559 | "Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain |
|---|
| 2560 | and crystallite size parameters). ‘Histogram constraints’ are those |
|---|
| 2561 | that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span> |
|---|
| 2562 | and Y).<o:p></o:p></span></p> |
|---|
| 2563 | |
|---|
| 2564 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2565 | |
|---|
| 2566 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span |
|---|
| 2567 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2568 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2569 | style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the |
|---|
| 2570 | parameter types you wish to constrain. Each will have the same possibilities in |
|---|
| 2571 | the ‘Edit menu.<o:p></o:p></span></p> |
|---|
| 2572 | |
|---|
| 2573 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span |
|---|
| 2574 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2575 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2576 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 2577 | style='mso-bidi-font-weight:normal'>Edit</b>’ – <o:p></o:p></span></p> |
|---|
| 2578 | |
|---|
| 2579 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2580 | auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span |
|---|
| 2581 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2582 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2583 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: |
|---|
| 2584 | "Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 2585 | style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span |
|---|
| 2586 | style='mso-fareast-font-family:"Times New Roman"'> – select a parameter |
|---|
| 2587 | that you wish to remain fixed although other parameters of the same type may be |
|---|
| 2588 | selected as a group for refinement. For example, if the space group for a phase |
|---|
| 2589 | has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter |
|---|
| 2590 | is arbitrary and should be selected for a Hold to keep the structure from |
|---|
| 2591 | drifting up or down the y-axis during refinement. If selected, a dialog box |
|---|
| 2592 | will appear showing the list of available parameters; select one and then OK to |
|---|
| 2593 | implement it, Cancel will cancel the operation. The held parameter will be |
|---|
| 2594 | shown in the constraint window with the keyword ‘FIXED’. A Delete |
|---|
| 2595 | button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 2596 | |
|---|
| 2597 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2598 | auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span |
|---|
| 2599 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2600 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2601 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 2602 | equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2603 | – select a list of parameters that should have the same value (possibly |
|---|
| 2604 | with a non-unitary multiplier for some). Examples are a list of atoms with the |
|---|
| 2605 | same thermal motion <span class=SpellE>Uiso</span>, sets of profile |
|---|
| 2606 | coefficients U<span class=GramE>,V,W</span> across multiple data sets. If |
|---|
| 2607 | selected, a dialog box will appear with a list of the available parameters. |
|---|
| 2608 | Select one and press OK; a second dialog box will appear with only those |
|---|
| 2609 | parameters that can be made equivalent to the first one. Choose those and press |
|---|
| 2610 | OK. Cancel in either dialog will cancel the operation. The equivalenced |
|---|
| 2611 | parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0; |
|---|
| 2612 | usually M1=1.0 and M2=-1.0, but can be changed via the ‘Edit’ |
|---|
| 2613 | button. The keyword ‘EQUIV’ marks it as <span class=GramE>an |
|---|
| 2614 | equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 2615 | |
|---|
| 2616 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2617 | auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span |
|---|
| 2618 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2619 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2620 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 2621 | constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2622 | – select a list of parameters whose sum (with possible non-unitary |
|---|
| 2623 | multipliers) is fixed. For example, the sum of site fractions for atoms on the |
|---|
| 2624 | same site could be fixed to unity. If selected, a dialog box will appear with a |
|---|
| 2625 | list of the available parameters. Select one and press OK; a second dialog box |
|---|
| 2626 | will appear with only those parameters that can be used in a constraint with |
|---|
| 2627 | the first one. Choose those and press OK. Cancel in either dialog will cancel |
|---|
| 2628 | the operation. The equivalenced parameters will show as an equation of the form |
|---|
| 2629 | M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+…=C; the |
|---|
| 2630 | multipliers M1, <span class=GramE>M2, …</span> and C can be changed via |
|---|
| 2631 | the ‘Edit’ button. The keyword ‘CONSTR’ marks it as a |
|---|
| 2632 | constraint. A Delete button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 2633 | |
|---|
| 2634 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 2635 | text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span |
|---|
| 2636 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2637 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2638 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 2639 | function</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2640 | – this is very similar the “Add constraint” type except that |
|---|
| 2641 | the result of the sum can be varied in the refinement. The keyword |
|---|
| 2642 | ‘FUNCT’ marks it as a function; the ‘Refine?’ box |
|---|
| 2643 | indicates your choice to refine the result of the sum. A Delete button can be |
|---|
| 2644 | used to remove it.<o:p></o:p></span></p> |
|---|
| 2645 | |
|---|
| 2646 | <h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span |
|---|
| 2647 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 2648 | |
|---|
| 2649 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2650 | window is empty<o:p></o:p></span></p> |
|---|
| 2651 | |
|---|
| 2652 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2653 | |
|---|
| 2654 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing |
|---|
| 2655 | just yet<o:p></o:p></span></p> |
|---|
| 2656 | |
|---|
| 2657 | <h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span |
|---|
| 2658 | style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4> |
|---|
| 2659 | |
|---|
| 2660 | <p class=MsoNormal>In this window is tabulated the results of your sequential |
|---|
| 2661 | refinement. The columns are the parameter names; the naming convention is |
|---|
| 2662 | ‘p<span class=GramE>:h:name:n’</span> where p is the phase number, |
|---|
| 2663 | h is the histogram number, name is the parameter name, and num (if needed) is |
|---|
| 2664 | the item number (e.g. atom number). The rows are the data sets used in the |
|---|
| 2665 | sequential refinement.</p> |
|---|
| 2666 | |
|---|
| 2667 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2668 | |
|---|
| 2669 | <h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></h5> |
|---|
| 2670 | |
|---|
| 2671 | <h3>Histograms</h3> |
|---|
| 2672 | |
|---|
| 2673 | <p class=MsoNormal>These are shown in the data tree with a prefix of ‘PWDR’, |
|---|
| 2674 | ’HKLF’, ‘IMG’, ‘PDF’ or ‘XXXX’ |
|---|
| 2675 | (future – restraints??) and usually a file name. These constitute the |
|---|
| 2676 | data sets (‘Histograms’) to be used by GSAS-II for analysis. |
|---|
| 2677 | Selection of these items does not produce any information in the data window |
|---|
| 2678 | but does display the data in the Plots Window. They are described below.</p> |
|---|
| 2679 | |
|---|
| 2680 | <h3><a name="PWD_Analysis"></a>Powder Histograms - PWDR</h3> |
|---|
| 2681 | |
|---|
| 2682 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When |
|---|
| 2683 | a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a |
|---|
| 2684 | href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data |
|---|
| 2685 | tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a |
|---|
| 2686 | variety of subcategories in the tree are shown. The items that are shown depend |
|---|
| 2687 | on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> |
|---|
| 2688 | |
|---|
| 2689 | <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span |
|---|
| 2690 | style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> |
|---|
| 2691 | |
|---|
| 2692 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span |
|---|
| 2693 | style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 2694 | "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 2695 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu |
|---|
| 2696 | ‘<b style='mso-bidi-font-weight:normal'>Analysis</b>’ – <o:p></o:p></span></span></p> |
|---|
| 2697 | |
|---|
| 2698 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 2699 | text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span |
|---|
| 2700 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2701 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2702 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span |
|---|
| 2703 | style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 2704 | – this produces a ‘normal probability’ plot for the |
|---|
| 2705 | refinement result as bounded by the limits. The slope and intercept of the |
|---|
| 2706 | curve in the central region (-1 < </span></span><span style='mso-bookmark: |
|---|
| 2707 | Comments'><span style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span |
|---|
| 2708 | style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span |
|---|
| 2709 | style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family: |
|---|
| 2710 | "Times New Roman"'>s</span></span><span style='mso-bookmark:Comments'><span |
|---|
| 2711 | style='mso-fareast-font-family:"Times New Roman"'> < 1) are shown on the |
|---|
| 2712 | plot status line. The slope is the square root of GOF for the best fit set of |
|---|
| 2713 | data points (~68% of the data).<o:p></o:p></span></span></p> |
|---|
| 2714 | |
|---|
| 2715 | <h4><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4> |
|---|
| 2716 | |
|---|
| 2717 | <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows |
|---|
| 2718 | whatever comment lines (preceded by “#”) found when the powder data |
|---|
| 2719 | file was read by GSAS-II. If you are lucky, there will be useful information |
|---|
| 2720 | here (e.g. sample name, date collected, wavelength used, etc.). If not, this |
|---|
| 2721 | window will be blank. The text is read-only in that anything you try to enter |
|---|
| 2722 | here is not saved.</span></p> |
|---|
| 2723 | |
|---|
| 2724 | <span style='mso-bookmark:Comments'></span> |
|---|
| 2725 | |
|---|
| 2726 | <h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span |
|---|
| 2727 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4> |
|---|
| 2728 | |
|---|
| 2729 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2730 | window shows the limits in position to be used in any fitting for this powder |
|---|
| 2731 | pattern. The ‘original’ values are obtained from the minimum & |
|---|
| 2732 | maximum values in the powder pattern. You can modify ‘changed’ as |
|---|
| 2733 | needed.<o:p></o:p></span></p> |
|---|
| 2734 | |
|---|
| 2735 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2736 | |
|---|
| 2737 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span |
|---|
| 2738 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2739 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2740 | style='mso-fareast-font-family:"Times New Roman"'>You can change <span |
|---|
| 2741 | class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the |
|---|
| 2742 | ‘changed’ row as needed. Use the mouse to select the value to be |
|---|
| 2743 | changed (the background on the box will be blue or have a black border or a |
|---|
| 2744 | vertical bar will appear in the value), then enter the new value and press |
|---|
| 2745 | Enter or click the mouse elsewhere in the Background window. This will set the |
|---|
| 2746 | new value.<o:p></o:p></span></p> |
|---|
| 2747 | |
|---|
| 2748 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span |
|---|
| 2749 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2750 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2751 | style='mso-fareast-font-family:"Times New Roman"'>Modify the values of |
|---|
| 2752 | ‘changed’; this can be done on the plot by dragging the limit bars |
|---|
| 2753 | (left – vertical green dashed line, right – vertical red dashed |
|---|
| 2754 | line) into position. A left or right mouse click on a data point on the plot |
|---|
| 2755 | will set the associated limit. In either case the appropriate value on the |
|---|
| 2756 | ‘changed’ row will be updated immediately.<o:p></o:p></span></p> |
|---|
| 2757 | |
|---|
| 2758 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span |
|---|
| 2759 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2760 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2761 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 2762 | style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></p> |
|---|
| 2763 | |
|---|
| 2764 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 2765 | text-indent:-.25in;mso-list:l3 level2 lfo6;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2766 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2767 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2768 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span |
|---|
| 2769 | style='mso-fareast-font-family:"Times New Roman"'> – this copies the |
|---|
| 2770 | limits shown to other selected powder patterns. If used, a dialog box (Copy |
|---|
| 2771 | Parameters) will appear showing the list of available powder patterns, you can |
|---|
| 2772 | copy the limits parameters to any or all of them; select ‘All’ to |
|---|
| 2773 | copy them to all patterns. Then select ‘OK’ to do the copy; |
|---|
| 2774 | ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> |
|---|
| 2775 | |
|---|
| 2776 | <h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4> |
|---|
| 2777 | |
|---|
| 2778 | <span style='mso-bookmark:Background'></span> |
|---|
| 2779 | |
|---|
| 2780 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2781 | window shows the choice of background functions and coefficients to be used in |
|---|
| 2782 | fitting this powder pattern. There are three types of contributions available |
|---|
| 2783 | for the background:<o:p></o:p></span></p> |
|---|
| 2784 | |
|---|
| 2785 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). A |
|---|
| 2786 | continuous empirical function (‘<span class=SpellE>chebyschev</span>’, |
|---|
| 2787 | ‘cosine’, ‘<span class=SpellE><span class=GramE>lin</span></span> |
|---|
| 2788 | interpolate’, ‘inv interpolate’ & ‘log |
|---|
| 2789 | interpolate’). The latter three select fixed points with spacing that is <span |
|---|
| 2790 | class=GramE>either equal</span>, inversely equal or equal on a log scale of the |
|---|
| 2791 | x-coordinate. The set of magnitudes at each point then comprise the background |
|---|
| 2792 | variables. All are refined when refine is selected.<o:p></o:p></span></p> |
|---|
| 2793 | |
|---|
| 2794 | <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family: |
|---|
| 2795 | "Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the |
|---|
| 2796 | form:<o:p></o:p></span></p> |
|---|
| 2797 | |
|---|
| 2798 | <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family: |
|---|
| 2799 | "Times New Roman"'><span style='mso-tab-count:1'> </span></span><!--[if gte msEquation 12]><m:oMath><i |
|---|
| 2800 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 2801 | mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span |
|---|
| 2802 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 2803 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 2804 | normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span |
|---|
| 2805 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 2806 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 2807 | normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: |
|---|
| 2808 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 2809 | "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i |
|---|
| 2810 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 2811 | mso-fareast-font-family:"Times New Roman"'><m:r>QR</m:r></span></i></m:den></m:f></m:e></m:d><m:sSup><m:sSupPr><span |
|---|
| 2812 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 2813 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 2814 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 2815 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 2816 | "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: |
|---|
| 2817 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 2818 | "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span |
|---|
| 2819 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 2820 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 2821 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 2822 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 2823 | "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i |
|---|
| 2824 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 2825 | mso-fareast-font-family:"Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span |
|---|
| 2826 | style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: |
|---|
| 2827 | "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; |
|---|
| 2828 | top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language: |
|---|
| 2829 | EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" |
|---|
| 2830 | type="#_x0000_t75" style='width:133.5pt;height:38.25pt'> |
|---|
| 2831 | <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> |
|---|
| 2832 | </v:shape><![endif]--><![if !vml]><img width=178 height=51 |
|---|
| 2833 | src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span |
|---|
| 2834 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count: |
|---|
| 2835 | 1'> </span><o:p></o:p></span></p> |
|---|
| 2836 | |
|---|
| 2837 | <p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span |
|---|
| 2838 | style='mso-fareast-font-family:"Times New Roman"'> A,R & U are the possible |
|---|
| 2839 | variables and can be individually selected as desired; Q = 2</span><span |
|---|
| 2840 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span |
|---|
| 2841 | style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p> |
|---|
| 2842 | |
|---|
| 2843 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). |
|---|
| 2844 | A set of individual Bragg peaks using the pseudo-Voigt profile function as |
|---|
| 2845 | their shapes. Their parameters are ‘<span class=SpellE>pos</span>’, |
|---|
| 2846 | ’<span class=SpellE>int</span>’, ‘sig’ & |
|---|
| 2847 | ‘gam’; each can be selected for refinement. The default values for |
|---|
| 2848 | sig & gam (=0.10) are for very sharp peaks, you may adjust them accordingly |
|---|
| 2849 | to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p> |
|---|
| 2850 | |
|---|
| 2851 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2852 | |
|---|
| 2853 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2854 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2855 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2856 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 2857 | style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></p> |
|---|
| 2858 | |
|---|
| 2859 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2860 | auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span |
|---|
| 2861 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2862 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2863 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span |
|---|
| 2864 | style='mso-fareast-font-family:"Times New Roman"'> – this copies the |
|---|
| 2865 | background parameters shown to other selected powder patterns. If used, a |
|---|
| 2866 | dialog box (Copy Parameters) will appear showing the list of available powder |
|---|
| 2867 | patterns, you can copy the background parameters to any or all of them; select |
|---|
| 2868 | ‘All’ to copy them to all patterns. Then select ‘OK’ to |
|---|
| 2869 | do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> |
|---|
| 2870 | |
|---|
| 2871 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2872 | auto;text-indent:-.25in;mso-list:l2 level1 lfo8'><![if !supportLists]><span |
|---|
| 2873 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2874 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2875 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy |
|---|
| 2876 | flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– |
|---|
| 2877 | <span class=GramE>this copies</span> only the refinement flags shown to other |
|---|
| 2878 | selected powder patterns. If used, a dialog box (Copy Refinement Flags) will |
|---|
| 2879 | appear showing the list of available powder patterns, you can copy the |
|---|
| 2880 | refinement flags to any or all of them; select ‘All’ to copy them |
|---|
| 2881 | to all patterns. Then select ‘OK’ to do the copy; |
|---|
| 2882 | ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> |
|---|
| 2883 | |
|---|
| 2884 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2885 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 2886 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2887 | style='mso-fareast-font-family:"Times New Roman"'>You can select a different |
|---|
| 2888 | Background function from the pull down tab.<o:p></o:p></span></p> |
|---|
| 2889 | |
|---|
| 2890 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2891 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 2892 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2893 | style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not |
|---|
| 2894 | refine the background coefficients.<o:p></o:p></span></p> |
|---|
| 2895 | |
|---|
| 2896 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2897 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 2898 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2899 | style='mso-fareast-font-family:"Times New Roman"'>You can select the number of |
|---|
| 2900 | background coefficients to be used (1-36).<o:p></o:p></span></p> |
|---|
| 2901 | |
|---|
| 2902 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2903 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 2904 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2905 | style='mso-fareast-font-family:"Times New Roman"'>You can change individual |
|---|
| 2906 | background coefficient values. Enter the value then press Enter or click the |
|---|
| 2907 | mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> |
|---|
| 2908 | |
|---|
| 2909 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2910 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span |
|---|
| 2911 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2912 | style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more |
|---|
| 2913 | Debye scattering terms into the background. For each one you should enter a |
|---|
| 2914 | sensible value for ‘R’ – an expected interatomic distance in |
|---|
| 2915 | an amorphous phase is appropriate. Select parameters to refine; usually start |
|---|
| 2916 | with the ‘A’ coefficients.<o:p></o:p></span></p> |
|---|
| 2917 | |
|---|
| 2918 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span |
|---|
| 2919 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span |
|---|
| 2920 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2921 | style='mso-fareast-font-family:"Times New Roman"'>You can introduce single |
|---|
| 2922 | Bragg peaks into the background. For each you should specify at least the |
|---|
| 2923 | position. Select parameters to refine; usually start with the ‘<span |
|---|
| 2924 | class=SpellE>int</span>’ coefficients.<o:p></o:p></span></p> |
|---|
| 2925 | |
|---|
| 2926 | <h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family: |
|---|
| 2927 | "Times New Roman"'>Instrument Parameters</span></u></a><u><span |
|---|
| 2928 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4> |
|---|
| 2929 | |
|---|
| 2930 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 2931 | window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p> |
|---|
| 2932 | |
|---|
| 2933 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 2934 | |
|---|
| 2935 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span |
|---|
| 2936 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 2937 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 2938 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 2939 | style='mso-bidi-font-weight:normal'>Operations</b>’ –<o:p></o:p></span></p> |
|---|
| 2940 | |
|---|
| 2941 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2942 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2943 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 2944 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2945 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Load |
|---|
| 2946 | profile… </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- |
|---|
| 2947 | loads a GSAS-II instrument parameter file (<span class=SpellE>name.instprm</span>), |
|---|
| 2948 | replacing the existing instrument parameter values. All refinement flags are |
|---|
| 2949 | unset.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> |
|---|
| 2950 | |
|---|
| 2951 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2952 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2953 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 2954 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2955 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save |
|---|
| 2956 | profile… - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves |
|---|
| 2957 | the current instrument parameter values in a simple text file (<span |
|---|
| 2958 | class=SpellE>name.instprm</span>); you will be prompted for the file name |
|---|
| 2959 | – do not change the extension. This file may be edited but heed the |
|---|
| 2960 | warning to not change the parameter names, the order of the parameter records |
|---|
| 2961 | or add new parameter records as this will invalidate the file. You may only |
|---|
| 2962 | change the numeric values if necessary. You can change or add comment records |
|---|
| 2963 | (begins with ‘#’).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> |
|---|
| 2964 | |
|---|
| 2965 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2966 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2967 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 2968 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2969 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset |
|---|
| 2970 | profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– |
|---|
| 2971 | resets the values for the instrument parameters to the default values shown in |
|---|
| 2972 | parentheses for each entry.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> |
|---|
| 2973 | |
|---|
| 2974 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2975 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2976 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 2977 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2978 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span |
|---|
| 2979 | style='mso-fareast-font-family:"Times New Roman"'> – this copies the |
|---|
| 2980 | instrument parameters shown to other selected powder patterns. If used, a |
|---|
| 2981 | dialog box (Copy parameters) will appear showing the list of available powder |
|---|
| 2982 | patterns, you can copy the instrument parameters to any or all of them; select |
|---|
| 2983 | ‘All’ to copy them to all patterns. Then select ‘OK’ to |
|---|
| 2984 | do the copy; ‘Cancel’ to cancel the operation. The copy will only |
|---|
| 2985 | work for instrument parameters that are commensurate with the one that is |
|---|
| 2986 | shown, e.g. single radiation patterns will not be updated from K</span><sub><span |
|---|
| 2987 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 2988 | style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span |
|---|
| 2989 | style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span |
|---|
| 2990 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 2991 | style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span |
|---|
| 2992 | style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p> |
|---|
| 2993 | |
|---|
| 2994 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 2995 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 2996 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 2997 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 2998 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy |
|---|
| 2999 | flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- |
|---|
| 3000 | – this copies the instrument parameter refinement flags shown to other |
|---|
| 3001 | selected powder patterns. If used, a dialog box (Copy refinement flags) will appear |
|---|
| 3002 | showing the list of available powder patterns, you can copy the instrument |
|---|
| 3003 | parameter refinement flags to any or all of them; select ‘All’ to |
|---|
| 3004 | copy them to all patterns. Then select ‘OK’ to do the copy; |
|---|
| 3005 | ‘Cancel’ to cancel the operation. The copy will only work for |
|---|
| 3006 | instrument parameters that are commensurate with the one that is shown, e.g. |
|---|
| 3007 | single radiation patterns will not be updated from K</span><sub><span |
|---|
| 3008 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 3009 | style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span |
|---|
| 3010 | style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span |
|---|
| 3011 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 3012 | style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span |
|---|
| 3013 | style='mso-fareast-font-family:"Times New Roman"'> ones.<o:p></o:p></span></p> |
|---|
| 3014 | |
|---|
| 3015 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3016 | auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 3017 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 3018 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3019 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change |
|---|
| 3020 | radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3021 | – this changes the radiation between single wavelength (e.g. for |
|---|
| 3022 | synchrotron source) and K</span><sub><span style='font-family:Symbol; |
|---|
| 3023 | mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 3024 | style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span |
|---|
| 3025 | style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span |
|---|
| 3026 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span |
|---|
| 3027 | style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span |
|---|
| 3028 | style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a |
|---|
| 3029 | laboratory tube source).<o:p></o:p></span></p> |
|---|
| 3030 | |
|---|
| 3031 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span |
|---|
| 3032 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3033 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3034 | style='mso-fareast-font-family:"Times New Roman"'>You can change any of the |
|---|
| 3035 | profile coefficients<o:p></o:p></span></p> |
|---|
| 3036 | |
|---|
| 3037 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span |
|---|
| 3038 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 3039 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3040 | style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any |
|---|
| 3041 | profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain |
|---|
| 3042 | circumstances some choices are ignored e.g. Zero is not refined during peak fitting. |
|---|
| 3043 | Also some choices may lead to unstable refinement, e.g. <span class=GramE>Lam</span> |
|---|
| 3044 | refinement and lattice parameter refinement. Examine the ‘</span><a |
|---|
| 3045 | href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance’</span></a><span |
|---|
| 3046 | style='mso-fareast-font-family:"Times New Roman"'> display for highly |
|---|
| 3047 | correlated parameters.<o:p></o:p></span></p> |
|---|
| 3048 | |
|---|
| 3049 | <h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family: |
|---|
| 3050 | "Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4> |
|---|
| 3051 | |
|---|
| 3052 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3053 | window show the various sample dependent parameters for this powder pattern. |
|---|
| 3054 | The presence of a refine button indicates which can be refined while others are |
|---|
| 3055 | fixed. All values can be changed in this window.<o:p></o:p></span></p> |
|---|
| 3056 | |
|---|
| 3057 | <h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark: |
|---|
| 3058 | Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I |
|---|
| 3059 | do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span |
|---|
| 3060 | style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3061 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5> |
|---|
| 3062 | |
|---|
| 3063 | <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span |
|---|
| 3064 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span |
|---|
| 3065 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3066 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span |
|---|
| 3067 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3068 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3069 | normal;mso-bidi-font-weight:bold'>Menu ‘</span></span></span><span |
|---|
| 3070 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span |
|---|
| 3071 | style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File’</span></span></span><span |
|---|
| 3072 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span |
|---|
| 3073 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3074 | normal;mso-bidi-font-weight:bold'> – <o:p></o:p></span></span></span></h5> |
|---|
| 3075 | |
|---|
| 3076 | <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 3077 | text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span |
|---|
| 3078 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span |
|---|
| 3079 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3080 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3081 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span |
|---|
| 3082 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span |
|---|
| 3083 | style='mso-fareast-font-family:"Times New Roman"'> – this copies the |
|---|
| 3084 | sample parameters shown to other selected powder patterns. If used, a dialog |
|---|
| 3085 | box (Copy parameters) will appear showing the list of available powder |
|---|
| 3086 | patterns, you can copy the sample parameters to any or all of them; select |
|---|
| 3087 | ‘All’ to copy them to all patterns. Then select ‘OK’ to |
|---|
| 3088 | do the copy; ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> |
|---|
| 3089 | |
|---|
| 3090 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 3091 | text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span |
|---|
| 3092 | style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span |
|---|
| 3093 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3094 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3095 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy |
|---|
| 3096 | flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span |
|---|
| 3097 | style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3098 | - – this copies the sample parameter refinement flags shown to other |
|---|
| 3099 | selected powder patterns. If used, a dialog box (Copy refinement flags) will |
|---|
| 3100 | appear showing the list of available powder patterns, you can copy the sample |
|---|
| 3101 | parameter refinement flags to any or all of them; select ‘All’ to |
|---|
| 3102 | copy them to all patterns. Then select ‘OK’ to do the copy; |
|---|
| 3103 | ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> |
|---|
| 3104 | |
|---|
| 3105 | <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span |
|---|
| 3106 | style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span |
|---|
| 3107 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 3108 | |
|---|
| 3109 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3110 | window shows the list of peaks that will be used by the peak fitting |
|---|
| 3111 | refinement. It is filled by picking peaks in the powder pattern displayed in |
|---|
| 3112 | the GSASII Plots window as a sequence of ‘+’ marks.<o:p></o:p></span></p> |
|---|
| 3113 | |
|---|
| 3114 | <h5><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span |
|---|
| 3115 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What |
|---|
| 3116 | can I do here? </span></span><span style='mso-bookmark:Index_Peaks'><span |
|---|
| 3117 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3118 | normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5> |
|---|
| 3119 | |
|---|
| 3120 | <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3121 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3122 | "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: |
|---|
| 3123 | bold'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3124 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3125 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>Menu ‘</span></span><span |
|---|
| 3126 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3127 | color:windowtext'>Peak Fitting</span></span><span style='mso-bookmark:Index_Peaks'><span |
|---|
| 3128 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3129 | normal;mso-bidi-font-weight:bold'>’ – <o:p></o:p></span></span></h5> |
|---|
| 3130 | |
|---|
| 3131 | <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; |
|---|
| 3132 | tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span |
|---|
| 3133 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3134 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>a.<span |
|---|
| 3135 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3136 | class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span |
|---|
| 3137 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3138 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> – resets peak |
|---|
| 3139 | parameters, background and instrument parameter values varied in the last peak |
|---|
| 3140 | fitting refinement back to their original values. Use this to recover from a |
|---|
| 3141 | failed refinement. Note:<span style='mso-spacerun:yes'> </span>there is |
|---|
| 3142 | only a single level of recovery available.<o:p></o:p></span></span></h5> |
|---|
| 3143 | |
|---|
| 3144 | <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; |
|---|
| 3145 | tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span |
|---|
| 3146 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3147 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>b.<span |
|---|
| 3148 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3149 | style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ <span |
|---|
| 3150 | class=SpellE>PeakFit</span></span></span><span style='mso-bookmark:Index_Peaks'><span |
|---|
| 3151 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3152 | normal;mso-bidi-font-weight:bold'> – perform a least squares fit of the |
|---|
| 3153 | peaks in <span class=SpellE>PeakList</span> to the data. Any peak parameters, |
|---|
| 3154 | background parameters and instrument parameters with refine checked will be |
|---|
| 3155 | varied in this refinement. The refinement will proceed until convergence. We |
|---|
| 3156 | suggest you vary the intensity along with the background first (the default), |
|---|
| 3157 | then vary the position and instrument parameters after. The order will depend |
|---|
| 3158 | on how poor is the initial estimate of the instrument parameters (U, V, W, X, Y |
|---|
| 3159 | & SH/L). To determine how to proceed, examine in detail the powder pattern |
|---|
| 3160 | difference curve displayed in the GSASII Plots window. If individual peaks show |
|---|
| 3161 | peak widths that are widely different, their individual sigma and gamma |
|---|
| 3162 | parameters may be refined. If the refinement results in negative peak |
|---|
| 3163 | coefficients, these will be highlighted in red. If this happens, you should </span></span><span |
|---|
| 3164 | style='mso-bookmark:Index_Peaks'><span class=SpellE><span style='mso-fareast-font-family: |
|---|
| 3165 | "Times New Roman";color:windowtext'>UnDo</span></span></span><span |
|---|
| 3166 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3167 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> the refinement |
|---|
| 3168 | and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5> |
|---|
| 3169 | |
|---|
| 3170 | <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; |
|---|
| 3171 | tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span |
|---|
| 3172 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3173 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>c.<span |
|---|
| 3174 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3175 | style='mso-fareast-font-family:"Times New Roman";color:windowtext'>LSQ one |
|---|
| 3176 | cycle </span></span><span style='mso-bookmark:Index_Peaks'><span |
|---|
| 3177 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3178 | normal;mso-bidi-font-weight:bold'>– perform a single cycle of least |
|---|
| 3179 | squares refinement. This can be used in difficult cases to get a refinement |
|---|
| 3180 | started toward convergence.<o:p></o:p></span></span></h5> |
|---|
| 3181 | |
|---|
| 3182 | <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; |
|---|
| 3183 | tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span |
|---|
| 3184 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3185 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>d.<span |
|---|
| 3186 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3187 | style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig |
|---|
| 3188 | and gam </span></span><span style='mso-bookmark:Index_Peaks'><span |
|---|
| 3189 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3190 | normal;mso-bidi-font-weight:bold'>– this resets the values of sigma and |
|---|
| 3191 | gamma to those computed from the instrument parameters U, V, W, <span |
|---|
| 3192 | class=GramE>X</span> & Y.<o:p></o:p></span></span></h5> |
|---|
| 3193 | |
|---|
| 3194 | <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12; |
|---|
| 3195 | tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span |
|---|
| 3196 | style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: |
|---|
| 3197 | normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>e.<span |
|---|
| 3198 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3199 | style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span |
|---|
| 3200 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3201 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>– this |
|---|
| 3202 | removes all the peaks from the Peak List.<o:p></o:p></span></span></h5> |
|---|
| 3203 | |
|---|
| 3204 | <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3205 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3206 | "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: |
|---|
| 3207 | bold'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3208 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3209 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add |
|---|
| 3210 | peaks to the Peak list using the mouse on the plot by: 1) position the pointer |
|---|
| 3211 | near to the top point on a peak, 2) press the left mouse button. The selected |
|---|
| 3212 | peak will be added to the Peak List in its correct sorted order and a blue |
|---|
| 3213 | vertical line will be plotted on that position. Be sure that the Zoom/Pan |
|---|
| 3214 | buttons are not selected on the Plot window. We recommend that you begin |
|---|
| 3215 | picking peaks from the right side of the pattern; that way the tool tip |
|---|
| 3216 | won’t be in your way as you select peaks.<o:p></o:p></span></span></h5> |
|---|
| 3217 | |
|---|
| 3218 | <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3219 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3220 | "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: |
|---|
| 3221 | bold'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3222 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3223 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a |
|---|
| 3224 | Peak List item using the mouse on the plot by: 1) position the pointer on the |
|---|
| 3225 | blue line for the peak you wish to move, 2) holding the left mouse button down, |
|---|
| 3226 | drag to the desired position & then release the button. The peak line will |
|---|
| 3227 | be drawn in the new position. Be sure that the Zoom/Pan buttons are not |
|---|
| 3228 | selected on the Plot window.<o:p></o:p></span></span></h5> |
|---|
| 3229 | |
|---|
| 3230 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3231 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3232 | "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3233 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You |
|---|
| 3234 | can change individual peak coefficient values. Enter the value then press Enter |
|---|
| 3235 | or Tab or click the mouse elsewhere in the Peak List window. This will set the |
|---|
| 3236 | new value.<o:p></o:p></span></span></p> |
|---|
| 3237 | |
|---|
| 3238 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3239 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3240 | "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3241 | </span></span></span><![endif]>You can change the refine flags either by |
|---|
| 3242 | clicking on the box or by selecting one and then selecting the column (a single |
|---|
| 3243 | click on the column heading; column should show in blue). Then type |
|---|
| 3244 | ‘y’ to set the refine flags or ‘n’ to clear the flags. </span><span |
|---|
| 3245 | style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p> |
|---|
| 3246 | |
|---|
| 3247 | <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span |
|---|
| 3248 | style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family: |
|---|
| 3249 | "Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight: |
|---|
| 3250 | bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> |
|---|
| 3251 | </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3252 | color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete |
|---|
| 3253 | peaks in the Peak List by selecting rows (should appear in blue) and then |
|---|
| 3254 | pressing the Delete key. You can also delete peaks using the mouse on the plot |
|---|
| 3255 | by positioning the pointer on the blue line for the peak to be deleted and then |
|---|
| 3256 | pressing the right mouse button. The blue line should vanish and the |
|---|
| 3257 | corresponding peak will be removed from the Peak List. Be sure that the |
|---|
| 3258 | Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5> |
|---|
| 3259 | |
|---|
| 3260 | <h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family: |
|---|
| 3261 | "Times New Roman"'>Index Peak List</span></span><span style='mso-fareast-font-family: |
|---|
| 3262 | "Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 3263 | |
|---|
| 3264 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3265 | window shows the list of peaks that will be used for indexing (see </span><a |
|---|
| 3266 | href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit |
|---|
| 3267 | Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>). |
|---|
| 3268 | It must be filled before indexing can proceed. When indexing is completed, this |
|---|
| 3269 | display will show the resulting <span class=SpellE>hkl</span> values for every |
|---|
| 3270 | indexed reflection along with the calculated d-spacing (‘d-<span |
|---|
| 3271 | class=SpellE>calc</span>’) for the selected unit cell in </span><a |
|---|
| 3272 | href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit |
|---|
| 3273 | Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> |
|---|
| 3274 | |
|---|
| 3275 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3276 | |
|---|
| 3277 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span |
|---|
| 3278 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3279 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3280 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 3281 | style='mso-bidi-font-weight:normal'>Operations</b>’ – <b |
|---|
| 3282 | style='mso-bidi-font-weight:normal'>Load/Reload</b> – loads the peak |
|---|
| 3283 | positions & intensities from the </span><a href="#Peak_List"><span |
|---|
| 3284 | style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span |
|---|
| 3285 | style='mso-fareast-font-family:"Times New Roman"'> to make them available for the |
|---|
| 3286 | indexing routine. The d-<span class=SpellE>obs</span> is obtained from |
|---|
| 3287 | Bragg’s Law after applying the Zero correction shown on the </span><a |
|---|
| 3288 | href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument |
|---|
| 3289 | Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3290 | table to the position shown here.<o:p></o:p></span></p> |
|---|
| 3291 | |
|---|
| 3292 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span |
|---|
| 3293 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3294 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3295 | style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual |
|---|
| 3296 | peaks from indexing by unchecking the corresponding ‘use’ box.<o:p></o:p></span></p> |
|---|
| 3297 | |
|---|
| 3298 | <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span |
|---|
| 3299 | style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family: |
|---|
| 3300 | "Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family: |
|---|
| 3301 | "Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 3302 | |
|---|
| 3303 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3304 | window... <o:p></o:p></span></p> |
|---|
| 3305 | |
|---|
| 3306 | <h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection |
|---|
| 3307 | List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 3308 | |
|---|
| 3309 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3310 | window... <o:p></o:p></span></p> |
|---|
| 3311 | |
|---|
| 3312 | <h3>Single Crystal Histograms - HKLF</h3> |
|---|
| 3313 | |
|---|
| 3314 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution |
|---|
| 3315 | Functions - PDF<o:p></o:p></span></h3> |
|---|
| 3316 | |
|---|
| 3317 | <h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF |
|---|
| 3318 | Controls<o:p></o:p></span></h4> |
|---|
| 3319 | |
|---|
| 3320 | <p class=MsoNormal>This window </p> |
|---|
| 3321 | |
|---|
| 3322 | <h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family: |
|---|
| 3323 | "Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q), |
|---|
| 3324 | <a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) & <a name="G_R"></a>G(R)<o:p></o:p></span></h4> |
|---|
| 3325 | |
|---|
| 3326 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3327 | window... <o:p></o:p></span></p> |
|---|
| 3328 | |
|---|
| 3329 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images – |
|---|
| 3330 | IMG<o:p></o:p></span></h3> |
|---|
| 3331 | |
|---|
| 3332 | <h4>Image Controls<a name="Image_Controls"></a></h4> |
|---|
| 3333 | |
|---|
| 3334 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3335 | window... <o:p></o:p></span></p> |
|---|
| 3336 | |
|---|
| 3337 | <h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD; |
|---|
| 3338 | mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span |
|---|
| 3339 | style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a |
|---|
| 3340 | name="Image_Masks"></a><![endif]></h4> |
|---|
| 3341 | |
|---|
| 3342 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3343 | window... <o:p></o:p></span></p> |
|---|
| 3344 | |
|---|
| 3345 | <h3>Phase Windows</h3> |
|---|
| 3346 | |
|---|
| 3347 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When |
|---|
| 3348 | a phase is selected from the <a href="#Data_tree">data tree</a>, parameters are |
|---|
| 3349 | shown for that selected phase in a tabbed window. Clicking on each tab raises |
|---|
| 3350 | the windows listed below. Each tab is identified by the underlined phrase in |
|---|
| 3351 | the following:<o:p></o:p></span></p> |
|---|
| 3352 | |
|---|
| 3353 | <h4><a name=General></a><a name="_Ref317241833"><span style='mso-bookmark:General'><u>General</u> |
|---|
| 3354 | Phase Parameters</span></a><span style='mso-bookmark:General'></span></h4> |
|---|
| 3355 | |
|---|
| 3356 | <span style='mso-bookmark:General'></span> |
|---|
| 3357 | |
|---|
| 3358 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3359 | gives overall parameters describing the phase such as the name, space group, |
|---|
| 3360 | the unit cell parameters and overall parameters for the atom present in the |
|---|
| 3361 | phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p> |
|---|
| 3362 | |
|---|
| 3363 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3364 | |
|---|
| 3365 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span |
|---|
| 3366 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3367 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3368 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 3369 | style='mso-bidi-font-weight:normal'>Compute’</b> – The compute menu |
|---|
| 3370 | shows computations that are possible for this phase.<o:p></o:p></span></p> |
|---|
| 3371 | |
|---|
| 3372 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3373 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3374 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3375 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3376 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier |
|---|
| 3377 | maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – |
|---|
| 3378 | compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p> |
|---|
| 3379 | |
|---|
| 3380 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3381 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3382 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3383 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3384 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search |
|---|
| 3385 | maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– |
|---|
| 3386 | search the computed Fourier map. Peaks that are above ‘Peak cutoff’ |
|---|
| 3387 | % of the maximum will be found in this procedure; they will be printed on the |
|---|
| 3388 | console and will be shown in the ‘<a href="gsasII.html">Map peaks</a>’ |
|---|
| 3389 | page. This page will immediately be shown and the peaks will be shown on the |
|---|
| 3390 | structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p> |
|---|
| 3391 | |
|---|
| 3392 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span |
|---|
| 3393 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3394 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3395 | style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part |
|---|
| 3396 | of the General page that can be changed are Phase name, Phase type, Space |
|---|
| 3397 | group, unit cell parameters & refine flag. These are described in turn:<u><o:p></o:p></u></span></p> |
|---|
| 3398 | |
|---|
| 3399 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3400 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3401 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3402 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3403 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase |
|---|
| 3404 | name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – |
|---|
| 3405 | this is the name assigned to this phase. It should only be changed when the |
|---|
| 3406 | phase is initialized or imported.<u><o:p></o:p></u></span></p> |
|---|
| 3407 | |
|---|
| 3408 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3409 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3410 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3411 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3412 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase |
|---|
| 3413 | type – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this |
|---|
| 3414 | can only be set when there are no atoms in the Atoms page for this phase. |
|---|
| 3415 | Select it when the phase is initialized.<u><o:p></o:p></u></span></p> |
|---|
| 3416 | |
|---|
| 3417 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3418 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3419 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 3420 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3421 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space |
|---|
| 3422 | group</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3423 | – this should be set when the phase is initialized; it can be changed |
|---|
| 3424 | later. Be careful about the impact on Atom site symmetry and multiplicity if |
|---|
| 3425 | you do. GSAS-II will recognize any legal space group symbol using the short |
|---|
| 3426 | Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial |
|---|
| 3427 | fields (e.g. ‘F d 3 m’ not ‘Fd3m’). For space groups |
|---|
| 3428 | with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> |
|---|
| 3429 | setting where the center of inversion is located at the origin. The choice of |
|---|
| 3430 | space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p> |
|---|
| 3431 | |
|---|
| 3432 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3433 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3434 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 3435 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3436 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine |
|---|
| 3437 | unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3438 | – set this flag to refine the unit cell parameters in a Rietveld or |
|---|
| 3439 | Pawley refinement. The actual parameters refined are the symmetry allowed terms |
|---|
| 3440 | (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style: |
|---|
| 3441 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3442 | "Times New Roman"'><br> |
|---|
| 3443 | </span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span |
|---|
| 3444 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3445 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3446 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3447 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3448 | "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: |
|---|
| 3449 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3450 | "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i |
|---|
| 3451 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3452 | mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3453 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3454 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3455 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3456 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3457 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3458 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3459 | "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span |
|---|
| 3460 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3461 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3462 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3463 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3464 | "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: |
|---|
| 3465 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3466 | "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i |
|---|
| 3467 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3468 | mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3469 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3470 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3471 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3472 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3473 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3474 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3475 | "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span |
|---|
| 3476 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3477 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3478 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3479 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3480 | "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: |
|---|
| 3481 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3482 | "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i |
|---|
| 3483 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3484 | mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3485 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3486 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3487 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3488 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3489 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3490 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3491 | "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span |
|---|
| 3492 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3493 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3494 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3495 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3496 | "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: |
|---|
| 3497 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3498 | "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i |
|---|
| 3499 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3500 | mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3501 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3502 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3503 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3504 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3505 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3506 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3507 | "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i |
|---|
| 3508 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3509 | mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3510 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3511 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3512 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3513 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3514 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3515 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3516 | "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i |
|---|
| 3517 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3518 | mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span |
|---|
| 3519 | style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; |
|---|
| 3520 | mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: |
|---|
| 3521 | normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: |
|---|
| 3522 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3523 | "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: |
|---|
| 3524 | normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: |
|---|
| 3525 | "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i |
|---|
| 3526 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3527 | mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span |
|---|
| 3528 | style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: |
|---|
| 3529 | "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; |
|---|
| 3530 | mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape |
|---|
| 3531 | id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'> |
|---|
| 3532 | <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/> |
|---|
| 3533 | </v:shape><![endif]--><![if !vml]><img width=335 height=19 |
|---|
| 3534 | src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span |
|---|
| 3535 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p> |
|---|
| 3536 | |
|---|
| 3537 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3538 | auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span |
|---|
| 3539 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 3540 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3541 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: |
|---|
| 3542 | "Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 3543 | style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span |
|---|
| 3544 | style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; |
|---|
| 3545 | only those permitted by the space group are shown. The volume is computed from |
|---|
| 3546 | the values entered.<u><o:p></o:p></u></span></p> |
|---|
| 3547 | |
|---|
| 3548 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span |
|---|
| 3549 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 3550 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3551 | style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the |
|---|
| 3552 | Atoms page then the Elements table is shown next on the General page; you may |
|---|
| 3553 | select the isotope (only relevant for neutron diffraction experiments). The |
|---|
| 3554 | density is computed depending on this choice, the unit cell volume and the atom |
|---|
| 3555 | fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> |
|---|
| 3556 | |
|---|
| 3557 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span |
|---|
| 3558 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 3559 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3560 | style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are |
|---|
| 3561 | shown at the bottom of the General page. A completed Rietveld or Pawley |
|---|
| 3562 | refinement is required before a Fourier map can be computed. Select the desired |
|---|
| 3563 | type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p> |
|---|
| 3564 | |
|---|
| 3565 | <h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data |
|---|
| 3566 | </span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4> |
|---|
| 3567 | |
|---|
| 3568 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 3569 | |
|---|
| 3570 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i |
|---|
| 3571 | style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; |
|---|
| 3572 | mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character: |
|---|
| 3573 | line-break'> |
|---|
| 3574 | <![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'> |
|---|
| 3575 | <![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5> |
|---|
| 3576 | |
|---|
| 3577 | <h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></h5> |
|---|
| 3578 | |
|---|
| 3579 | <h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4> |
|---|
| 3580 | |
|---|
| 3581 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3582 | |
|---|
| 3583 | <h4><a name=Texture></a><u>Texture</u> Parameters</h4> |
|---|
| 3584 | |
|---|
| 3585 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3586 | |
|---|
| 3587 | <h4><a name="Draw_Options"></a><u>Draw Options</u></h4> |
|---|
| 3588 | |
|---|
| 3589 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3590 | |
|---|
| 3591 | <h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4> |
|---|
| 3592 | |
|---|
| 3593 | <p class=MsoNormal>This gives a list of the atoms and bonds that are to be |
|---|
| 3594 | rendered as lines, van der Waals radii balls, sticks, balls & sticks, |
|---|
| 3595 | ellipsoids & sticks or <span class=SpellE>polyhedra</span>. There are two |
|---|
| 3596 | menus for this tab; Edit allows modification of the list of atoms to be |
|---|
| 3597 | rendered and Compute gives some options for geometric characterization of |
|---|
| 3598 | selected atoms.</p> |
|---|
| 3599 | |
|---|
| 3600 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3601 | |
|---|
| 3602 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3603 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3604 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom |
|---|
| 3605 | Selection from table: select individual atoms by a left click of the mouse when |
|---|
| 3606 | pointed at the left most column (atom numbers) of the atom display; hold down |
|---|
| 3607 | the Ctrl key to add to your selection; a previously selected atom will be |
|---|
| 3608 | deselected. A selected atom will be highlighted (in grey) and the atom will be |
|---|
| 3609 | shown in green on the plot. Selection without the Ctrl key will clear previous |
|---|
| 3610 | selections. A double left click in the (empty) upper left box will select or |
|---|
| 3611 | deselect all atoms.</p> |
|---|
| 3612 | |
|---|
| 3613 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3614 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3615 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom |
|---|
| 3616 | Selection from plot: select an atom by a left click of the mouse while holding |
|---|
| 3617 | down the Shift key and pointed at the center of the displayed atom, it will |
|---|
| 3618 | turn green if successful and the corresponding entry in the table will be |
|---|
| 3619 | highlighted (in grey); any previous selections will be cleared. To add to .your |
|---|
| 3620 | selection use the right mouse button (Shift down); if a previously selection is |
|---|
| 3621 | reselected it is removed from the selection list. <b style='mso-bidi-font-weight: |
|---|
| 3622 | normal'>NB</b>: beware of atoms that are hiding behind the one you are trying |
|---|
| 3623 | to select, they may be selected inadvertently. You can rotate the structure |
|---|
| 3624 | anytime during the selection process.</p> |
|---|
| 3625 | |
|---|
| 3626 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3627 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 3628 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double |
|---|
| 3629 | left click a Name, Type and Sym Op column heading: a dialog box is shown that |
|---|
| 3630 | allows you to select all atoms with that characteristic. For example, selecting |
|---|
| 3631 | the Type column will show all the atom types; your choice will then cause all |
|---|
| 3632 | those atoms to be selected.</p> |
|---|
| 3633 | |
|---|
| 3634 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3635 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 3636 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double |
|---|
| 3637 | left click a Style, Label or Color column: a dialog box is shown that allows |
|---|
| 3638 | you to select a rendering option for all the atoms. For Color a color choice |
|---|
| 3639 | dialog is displayed that covers the entire color spectrum. Choose a color by |
|---|
| 3640 | any of the means available, press the “Add to Custom Colors”, select |
|---|
| 3641 | that color in the Custom colors display and then press OK. <b style='mso-bidi-font-weight: |
|---|
| 3642 | normal'>NB</b>: selecting Color will make all atoms have the same color and for |
|---|
| 3643 | Style “blank” means the atoms aren’t rendered and thus the |
|---|
| 3644 | plot will not show any atoms or bonds!</p> |
|---|
| 3645 | |
|---|
| 3646 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3647 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 3648 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 3649 | ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The edit menu |
|---|
| 3650 | shows operations that can be performed on your selected atoms. You must select |
|---|
| 3651 | one or more atoms before using any of the menu items.</p> |
|---|
| 3652 | |
|---|
| 3653 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3654 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3655 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3656 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3657 | style='mso-bidi-font-weight:normal'>Atom style</b> – select the rendering |
|---|
| 3658 | style for the selected atoms</p> |
|---|
| 3659 | |
|---|
| 3660 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3661 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3662 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3663 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3664 | style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be |
|---|
| 3665 | shown as a label for each atom in selection. The choices are: none, type, name |
|---|
| 3666 | or number.</p> |
|---|
| 3667 | |
|---|
| 3668 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3669 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3670 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 3671 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3672 | style='mso-bidi-font-weight:normal'>Atom color</b> – select the color for |
|---|
| 3673 | the atom; a color choice dialog is displayed that covers the entire color |
|---|
| 3674 | spectrum. Choose a color by any of the means available, press the “Add to |
|---|
| 3675 | Custom Colors”, select that color in the Custom colors display and then |
|---|
| 3676 | press OK.</p> |
|---|
| 3677 | |
|---|
| 3678 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3679 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3680 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 3681 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3682 | style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the |
|---|
| 3683 | atom color back to their defaults for the selected atoms.</p> |
|---|
| 3684 | |
|---|
| 3685 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3686 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3687 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 3688 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3689 | style='mso-bidi-font-weight:normal'>View point</b> – position the plot |
|---|
| 3690 | view point to the first atom in the selection.</p> |
|---|
| 3691 | |
|---|
| 3692 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3693 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3694 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 3695 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3696 | style='mso-bidi-font-weight:normal'>Add atoms</b> – using the selected |
|---|
| 3697 | atoms, new ones are added to the bottom of the list after applying your choice |
|---|
| 3698 | of symmetry operator and unit cell translation selected via a dialog display. |
|---|
| 3699 | Duplicate atom positions are not retained. Any anisotropic thermal displacement |
|---|
| 3700 | parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p> |
|---|
| 3701 | |
|---|
| 3702 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3703 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3704 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span |
|---|
| 3705 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3706 | style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a |
|---|
| 3707 | symmetry operator and unit cell translation to the set of selected atoms; they |
|---|
| 3708 | will be changed in place. Any anisotropic thermal displacement parameters (<span |
|---|
| 3709 | class=SpellE>Uij</span>) will be transformed as appropriate.</p> |
|---|
| 3710 | |
|---|
| 3711 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3712 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3713 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span |
|---|
| 3714 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3715 | style='mso-bidi-font-weight:normal'>Fill CN-sphere</b> – using the atoms |
|---|
| 3716 | currently in the draw atom table, find all atoms that belong in the |
|---|
| 3717 | coordination sphere around the selected atoms via unit cell translations. NB: |
|---|
| 3718 | symmetry operations are not used in this search.</p> |
|---|
| 3719 | |
|---|
| 3720 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3721 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3722 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span |
|---|
| 3723 | style='font:7.0pt "Times New Roman"'> |
|---|
| 3724 | </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Fill unit |
|---|
| 3725 | cell</b> - using the atoms currently selected from the draw atom table, find |
|---|
| 3726 | all atoms that fall inside or on the edge/surface/corners of the unit cell. |
|---|
| 3727 | This operation is frequently performed before Fill CN-sphere.</p> |
|---|
| 3728 | |
|---|
| 3729 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3730 | auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span |
|---|
| 3731 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span |
|---|
| 3732 | style='font:7.0pt "Times New Roman"'> |
|---|
| 3733 | </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete |
|---|
| 3734 | atoms</b> – clear the entire draw atom table; it is then refilled from |
|---|
| 3735 | the Atoms table. You should do this operation after any changes in the Atoms |
|---|
| 3736 | table, e.g. by a structure refinement.</p> |
|---|
| 3737 | |
|---|
| 3738 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span |
|---|
| 3739 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span |
|---|
| 3740 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 3741 | ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute |
|---|
| 3742 | menu gives a choice of geometric calculations to be performed with the selected |
|---|
| 3743 | atoms. You must select the appropriate number of atoms for these to work and |
|---|
| 3744 | the computation is done for the atoms in selection order.</p> |
|---|
| 3745 | |
|---|
| 3746 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3747 | auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span |
|---|
| 3748 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3749 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3750 | style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight: |
|---|
| 3751 | normal'>Tors. </b>– <span class=GramE>when</span> 2-4 atoms are selected, |
|---|
| 3752 | a distance, angle or torsion angle will be found for them. The angles are |
|---|
| 3753 | computed for the atoms in their selection order. The torsion angle is a right |
|---|
| 3754 | hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An |
|---|
| 3755 | estimated standard deviation is given for the calculated value if a current variance-covariance |
|---|
| 3756 | matrix is available. The result is shown on the console window; it may be cut |
|---|
| 3757 | & pasted to another application (e.g. Microsoft Word).</p> |
|---|
| 3758 | |
|---|
| 3759 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 3760 | text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span |
|---|
| 3761 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3762 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3763 | style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms |
|---|
| 3764 | are selected, a best plane is determined for them. The result is shown on the |
|---|
| 3765 | console window; it may be cut & pasted to another application (e.g. |
|---|
| 3766 | Microsoft Word). Shown are the atom coordinates transformed to Cartesian best |
|---|
| 3767 | plane coordinates where the largest range is over the X-axis and the smallest |
|---|
| 3768 | is over the Z-axis with the origin at the <span class=SpellE>unweighted</span> |
|---|
| 3769 | center of the selection. Root mean square displacements along each axis for the |
|---|
| 3770 | best plane are also listed. The Z-axis RMS value indicates the flatness of the |
|---|
| 3771 | proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select |
|---|
| 3772 | (e.g. all) atoms then Best plane will give Cartesian coordinates for these |
|---|
| 3773 | atoms with respect to a coordinate system where the X-axis is along the longest |
|---|
| 3774 | axis of the atom grouping and the Z-axis is along the shortest distance. The |
|---|
| 3775 | origin is at the <span class=SpellE>unweighted</span> center of the selected |
|---|
| 3776 | atoms.</p> |
|---|
| 3777 | |
|---|
| 3778 | <h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4> |
|---|
| 3779 | |
|---|
| 3780 | <p class=MsoNormal>This gives the list of reflections used in a Pawley |
|---|
| 3781 | refinement and can only be seen if the phase type is ‘Pawley’ (see<span |
|---|
| 3782 | style='color:#00B0F0'> </span><a href="#General">General</a>)<span |
|---|
| 3783 | style='color:#00B0F0'>.</span></p> |
|---|
| 3784 | |
|---|
| 3785 | <h5>What can I do here?</h5> |
|---|
| 3786 | |
|---|
| 3787 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span |
|---|
| 3788 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3789 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 3790 | <b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</p> |
|---|
| 3791 | |
|---|
| 3792 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3793 | auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span |
|---|
| 3794 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3795 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3796 | style='mso-bidi-font-weight:normal'>Pawley create</b> – this creates a |
|---|
| 3797 | new set of Pawley reflections, over writing any preexisting Pawley set. They |
|---|
| 3798 | are generated with d-<span class=SpellE>spacings</span> larger than the limit |
|---|
| 3799 | set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab |
|---|
| 3800 | for this phase. By default the refine flags are not set and the <span |
|---|
| 3801 | class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span |
|---|
| 3802 | class=SpellE>hkl</span>) = 100.0.</p> |
|---|
| 3803 | |
|---|
| 3804 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3805 | auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span |
|---|
| 3806 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3807 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3808 | style='mso-bidi-font-weight:normal'>Pawley estimate</b> – this attempts |
|---|
| 3809 | an estimate of <span class=SpellE><span class=GramE>Fsq</span></span><span |
|---|
| 3810 | class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the |
|---|
| 3811 | reflection as seen in the 1<sup>st</sup> powder pattern of those selected in |
|---|
| 3812 | the <a href="#Data">Data</a> tab.</p> |
|---|
| 3813 | |
|---|
| 3814 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3815 | auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span |
|---|
| 3816 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 3817 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3818 | style='mso-bidi-font-weight:normal'>Pawley delete </b>– this clears the |
|---|
| 3819 | set of Pawley reflections.</p> |
|---|
| 3820 | |
|---|
| 3821 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span |
|---|
| 3822 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3823 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You |
|---|
| 3824 | can change the refine flags either by clicking on the box or by selecting one |
|---|
| 3825 | and then selecting the column (a single click on the column heading). Then type |
|---|
| 3826 | ‘y’ to set the refine flags or ‘n’ to clear the flags. |
|---|
| 3827 | You should deselect those reflections that fall below the lower limit or above |
|---|
| 3828 | the upper limit of the powder pattern otherwise you may have a singular matrix |
|---|
| 3829 | error in your Pawley refinement.</p> |
|---|
| 3830 | |
|---|
| 3831 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span |
|---|
| 3832 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 3833 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You |
|---|
| 3834 | can change the individual <span class=SpellE><span class=GramE>Fsq</span></span><span |
|---|
| 3835 | class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it, |
|---|
| 3836 | typing in the new value and then pressing enter or selecting somewhere else in |
|---|
| 3837 | the table.</p> |
|---|
| 3838 | |
|---|
| 3839 | <p class=MsoListParagraphCxSpLast><o:p> </o:p></p> |
|---|
| 3840 | |
|---|
| 3841 | <h4><a name="Map_peaks">Map peaks</a></h4> |
|---|
| 3842 | |
|---|
| 3843 | <span style='mso-bookmark:Map_peaks'></span> |
|---|
| 3844 | |
|---|
| 3845 | <p class=MsoNormal>This gives the list (magnitude, x y & z) of all peaks |
|---|
| 3846 | found within the unit cell from the last Fourier map search sorted in order of |
|---|
| 3847 | decreasing peak magnitude. The crystal structure plot shows each peak position |
|---|
| 3848 | as a white 3-D cross.</p> |
|---|
| 3849 | |
|---|
| 3850 | <h5>What can I do here?</h5> |
|---|
| 3851 | |
|---|
| 3852 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span |
|---|
| 3853 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3854 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 3855 | a peak with a left click on the left hand row number, hold Ctrl key down to add |
|---|
| 3856 | more peaks to your selection. Each peak selected will show as a green 3-D cross |
|---|
| 3857 | on the crystal structure plot.</p> |
|---|
| 3858 | |
|---|
| 3859 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span |
|---|
| 3860 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3861 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 3862 | <b style='mso-bidi-font-weight:normal'>‘Map peaks’ </b><span |
|---|
| 3863 | style='mso-spacerun:yes'> </span>–</p> |
|---|
| 3864 | |
|---|
| 3865 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3866 | auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 3867 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3868 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3869 | style='mso-bidi-font-weight:normal'>Move peaks</b> – this copies selected |
|---|
| 3870 | peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw |
|---|
| 3871 | Atoms</a> list. They will be appended to the end of each list each with the |
|---|
| 3872 | name ‘UNK’ and the atom type as ‘H’. They will also be |
|---|
| 3873 | drawn as small white spheres at their respective positions in the structure |
|---|
| 3874 | drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and |
|---|
| 3875 | change the atom type to whatever element you desire; it will be renamed |
|---|
| 3876 | automatically.</p> |
|---|
| 3877 | |
|---|
| 3878 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 3879 | text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 3880 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 3881 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 3882 | style='mso-bidi-font-weight:normal'>Clear peaks </b>– this deletes all |
|---|
| 3883 | the peaks in the map peak list; they are also removed from the crystal |
|---|
| 3884 | structure drawing plot.</p> |
|---|
| 3885 | |
|---|
| 3886 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 3887 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3888 | |
|---|
| 3889 | <hr size=2 width="100%" align=center> |
|---|
| 3890 | |
|---|
| 3891 | </span></div> |
|---|
| 3892 | |
|---|
| 3893 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 3894 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 3895 | |
|---|
| 3896 | <hr size=2 width="100%" align=center> |
|---|
| 3897 | |
|---|
| 3898 | </span></div> |
|---|
| 3899 | |
|---|
| 3900 | <h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3. |
|---|
| 3901 | GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span |
|---|
| 3902 | style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span |
|---|
| 3903 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2> |
|---|
| 3904 | |
|---|
| 3905 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 3906 | window presents all the graphical material as a multipage tabbed set of plots |
|---|
| 3907 | utilizing the <span class=SpellE>matplotlib</span> python package. Each page |
|---|
| 3908 | has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p> |
|---|
| 3909 | |
|---|
| 3910 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 3911 | mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" |
|---|
| 3912 | src=graphbar.jpg |
|---|
| 3913 | alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span |
|---|
| 3914 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> |
|---|
| 3915 | |
|---|
| 3916 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These |
|---|
| 3917 | are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p> |
|---|
| 3918 | |
|---|
| 3919 | <ul type=disc> |
|---|
| 3920 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3921 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3922 | "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> |
|---|
| 3923 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3924 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3925 | "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> |
|---|
| 3926 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3927 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3928 | "Times New Roman"'>Forward: reverses the action in the previous press(es) |
|---|
| 3929 | of the Back button <o:p></o:p></span></li> |
|---|
| 3930 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3931 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3932 | "Times New Roman"'>Pan: allows you to control panning across the plot |
|---|
| 3933 | (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> |
|---|
| 3934 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3935 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3936 | "Times New Roman"'>Zoom: allows you to select a portion of the plot (press |
|---|
| 3937 | right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> |
|---|
| 3938 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3939 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3940 | "Times New Roman"'>Save: allows you to save the currently displayed plot |
|---|
| 3941 | in one of several graphical formats suitable for printing or insertion in |
|---|
| 3942 | a document.<o:p></o:p></span></li> |
|---|
| 3943 | <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; |
|---|
| 3944 | mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: |
|---|
| 3945 | "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> |
|---|
| 3946 | </ul> |
|---|
| 3947 | |
|---|
| 3948 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 3949 | |
|---|
| 3950 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below |
|---|
| 3951 | the toolbar may be a status bar that on the left may show either an instruction |
|---|
| 3952 | for a keyed input or a pull down selection of keyed input; on the right may be |
|---|
| 3953 | displayed position dependent information that is updated as the mouse is moved |
|---|
| 3954 | over the plot region.<o:p></o:p></span></p> |
|---|
| 3955 | |
|---|
| 3956 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 3957 | |
|---|
| 3958 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 3959 | specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p> |
|---|
| 3960 | |
|---|
| 3961 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4> |
|---|
| 3962 | |
|---|
| 3963 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 3964 | powder patterns that are part of your project are shown on this page. They can |
|---|
| 3965 | be displayed as a stack of powder patterns, just a single pattern or as a |
|---|
| 3966 | contour image of the peak intensities. What can be done here will depend on |
|---|
| 3967 | which is displayed and on which item in the GSAS-II data tree you have |
|---|
| 3968 | selected.<o:p></o:p></span></p> |
|---|
| 3969 | |
|---|
| 3970 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 3971 | |
|---|
| 3972 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span |
|---|
| 3973 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 3974 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3975 | style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across |
|---|
| 3976 | the plot, the plot status line will show the cursor position in 2</span><span |
|---|
| 3977 | style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span |
|---|
| 3978 | style='mso-fareast-font-family:"Times New Roman"'>, d-spacing and the |
|---|
| 3979 | intensity. For a q-plot, q is shown instead of 2</span><span style='font-family: |
|---|
| 3980 | Symbol;mso-fareast-font-family:"Times New Roman"'>Q</span><span |
|---|
| 3981 | style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> |
|---|
| 3982 | |
|---|
| 3983 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span |
|---|
| 3984 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 3985 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On |
|---|
| 3986 | the plot status line<b style='mso-bidi-font-weight:normal'> ‘key |
|---|
| 3987 | press’ </b>– you can either press the key on the key board or |
|---|
| 3988 | select from the pull down menu. For line plots:</p> |
|---|
| 3989 | |
|---|
| 3990 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 3991 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 3992 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 3993 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 3994 | class=GramE><b style='mso-bidi-font-weight:normal'>l</b></span><b |
|---|
| 3995 | style='mso-bidi-font-weight:normal'>: offset left</b> – for a waterfall |
|---|
| 3996 | plot of multiple powder profiles, increase the offset to the left. Does not |
|---|
| 3997 | apply if only one pattern.</p> |
|---|
| 3998 | |
|---|
| 3999 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4000 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4001 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 4002 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4003 | class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b |
|---|
| 4004 | style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot |
|---|
| 4005 | of multiple powder profiles, increase the offset to the left. Does not apply if |
|---|
| 4006 | only one pattern.</p> |
|---|
| 4007 | |
|---|
| 4008 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4009 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4010 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 4011 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4012 | class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b |
|---|
| 4013 | style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of |
|---|
| 4014 | multiple powder profiles, increase the offset down. Does not apply if only one |
|---|
| 4015 | pattern.</p> |
|---|
| 4016 | |
|---|
| 4017 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4018 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4019 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 4020 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4021 | class=GramE><b style='mso-bidi-font-weight:normal'>u</b></span><b |
|---|
| 4022 | style='mso-bidi-font-weight:normal'>: offset up</b> - for a waterfall plot of |
|---|
| 4023 | multiple powder profiles, increase the offset up. Does not apply if only one |
|---|
| 4024 | pattern.</p> |
|---|
| 4025 | |
|---|
| 4026 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4027 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4028 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 4029 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4030 | class=GramE><b style='mso-bidi-font-weight:normal'>o</b></span><b |
|---|
| 4031 | style='mso-bidi-font-weight:normal'>: reset offset</b> - for a waterfall plot |
|---|
| 4032 | of multiple powder profiles, reset to no offset. Does not apply if only one |
|---|
| 4033 | pattern.</p> |
|---|
| 4034 | |
|---|
| 4035 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4036 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4037 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 4038 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4039 | class=GramE><b style='mso-bidi-font-weight:normal'>n</b></span><b |
|---|
| 4040 | style='mso-bidi-font-weight:normal'>: log(I) on/off</b> – changes the |
|---|
| 4041 | y-axis to be the log10 of the intensity; difference curve is not shown for |
|---|
| 4042 | log(I) on.</p> |
|---|
| 4043 | |
|---|
| 4044 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4045 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4046 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span |
|---|
| 4047 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4048 | class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b |
|---|
| 4049 | style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple |
|---|
| 4050 | powder profiles, then a contour plot is shown of the observed intensities. All |
|---|
| 4051 | data sets must be the same length as the first one to be included in the |
|---|
| 4052 | contour plot.</p> |
|---|
| 4053 | |
|---|
| 4054 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4055 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4056 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span |
|---|
| 4057 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 4058 | style='mso-bidi-font-weight:normal'>q: toggle q plot</b> – changes the |
|---|
| 4059 | x-axis from 2<span style='font-family:Symbol'>Q</span> to q=2<span |
|---|
| 4060 | style='font-family:Symbol'>p</span>/d. This will put multiple powder patterns |
|---|
| 4061 | taken at different energies on the same x-axis scale.</p> |
|---|
| 4062 | |
|---|
| 4063 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4064 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4065 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span |
|---|
| 4066 | style='font:7.0pt "Times New Roman"'> |
|---|
| 4067 | </span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight: |
|---|
| 4068 | normal'>s</b></span><b style='mso-bidi-font-weight:normal'>: toggle single plot</b> |
|---|
| 4069 | – for multiple powder profiles, this will show only the one selected from |
|---|
| 4070 | the data tree. The offset options are not active.</p> |
|---|
| 4071 | |
|---|
| 4072 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4073 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4074 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span |
|---|
| 4075 | style='font:7.0pt "Times New Roman"'> |
|---|
| 4076 | </span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight: |
|---|
| 4077 | normal'>w</b></span><b style='mso-bidi-font-weight:normal'>: toggle divide by |
|---|
| 4078 | sig</b> – for the pattern selected from the data tree, this will divide |
|---|
| 4079 | the observed, calculated and difference curves by the <span class=SpellE>esd</span> |
|---|
| 4080 | for the data points. Other data sets are not shown.</p> |
|---|
| 4081 | |
|---|
| 4082 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4083 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span |
|---|
| 4084 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span |
|---|
| 4085 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 4086 | style='mso-bidi-font-weight:normal'>+: no selection</b> - for multiple powder |
|---|
| 4087 | profiles, only the observed curve is shown.</p> |
|---|
| 4088 | |
|---|
| 4089 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span |
|---|
| 4090 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 4091 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 4092 | style='mso-fareast-font-family:"Times New Roman"'>For contour plots the status |
|---|
| 4093 | line ‘key press’ options are different:<o:p></o:p></span></p> |
|---|
| 4094 | |
|---|
| 4095 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 4096 | auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in' |
|---|
