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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>24</o:Revision> |
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| 28 | <o:TotalTime>1589</o:TotalTime> |
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| 29 | <o:Created>2011-11-28T16:49:00Z</o:Created> |
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| 30 | <o:LastSaved>2011-11-30T16:07:00Z</o:LastSaved> |
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| 32 | <o:Words>2017</o:Words> |
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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:1; |
|---|
| 353 | mso-generic-font-family:roman; |
|---|
| 354 | mso-font-format:other; |
|---|
| 355 | mso-font-pitch:variable; |
|---|
| 356 | mso-font-signature:0 0 0 0 0 0;} |
|---|
| 357 | @font-face |
|---|
| 358 | {font-family:Cambria; |
|---|
| 359 | panose-1:2 4 5 3 5 4 6 3 2 4; |
|---|
| 360 | mso-font-charset:0; |
|---|
| 361 | mso-generic-font-family:roman; |
|---|
| 362 | mso-font-pitch:variable; |
|---|
| 363 | mso-font-signature:-536870145 1073743103 0 0 415 0;} |
|---|
| 364 | @font-face |
|---|
| 365 | {font-family:Tahoma; |
|---|
| 366 | panose-1:2 11 6 4 3 5 4 4 2 4; |
|---|
| 367 | mso-font-charset:0; |
|---|
| 368 | mso-generic-font-family:swiss; |
|---|
| 369 | mso-font-pitch:variable; |
|---|
| 370 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
|---|
| 371 | /* Style Definitions */ |
|---|
| 372 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
|---|
| 373 | {mso-style-unhide:no; |
|---|
| 374 | mso-style-qformat:yes; |
|---|
| 375 | mso-style-parent:""; |
|---|
| 376 | margin:0in; |
|---|
| 377 | margin-bottom:.0001pt; |
|---|
| 378 | mso-pagination:widow-orphan; |
|---|
| 379 | font-size:12.0pt; |
|---|
| 380 | font-family:"Times New Roman","serif"; |
|---|
| 381 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 382 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 383 | h1 |
|---|
| 384 | {mso-style-priority:9; |
|---|
| 385 | mso-style-unhide:no; |
|---|
| 386 | mso-style-qformat:yes; |
|---|
| 387 | mso-style-link:"Heading 1 Char"; |
|---|
| 388 | mso-margin-top-alt:auto; |
|---|
| 389 | margin-right:0in; |
|---|
| 390 | mso-margin-bottom-alt:auto; |
|---|
| 391 | margin-left:0in; |
|---|
| 392 | mso-pagination:widow-orphan; |
|---|
| 393 | mso-outline-level:1; |
|---|
| 394 | font-size:24.0pt; |
|---|
| 395 | font-family:"Times New Roman","serif"; |
|---|
| 396 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 397 | mso-fareast-theme-font:minor-fareast; |
|---|
| 398 | font-weight:bold;} |
|---|
| 399 | h2 |
|---|
| 400 | {mso-style-priority:9; |
|---|
| 401 | mso-style-unhide:no; |
|---|
| 402 | mso-style-qformat:yes; |
|---|
| 403 | mso-style-link:"Heading 2 Char"; |
|---|
| 404 | mso-margin-top-alt:auto; |
|---|
| 405 | margin-right:0in; |
|---|
| 406 | mso-margin-bottom-alt:auto; |
|---|
| 407 | margin-left:0in; |
|---|
| 408 | mso-pagination:widow-orphan; |
|---|
| 409 | mso-outline-level:2; |
|---|
| 410 | font-size:18.0pt; |
|---|
| 411 | font-family:"Times New Roman","serif"; |
|---|
| 412 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 413 | mso-fareast-theme-font:minor-fareast; |
|---|
| 414 | font-weight:bold;} |
|---|
| 415 | h3 |
|---|
| 416 | {mso-style-priority:9; |
|---|
| 417 | mso-style-unhide:no; |
|---|
| 418 | mso-style-qformat:yes; |
|---|
| 419 | mso-style-link:"Heading 3 Char"; |
|---|
| 420 | mso-margin-top-alt:auto; |
|---|
| 421 | margin-right:0in; |
|---|
| 422 | mso-margin-bottom-alt:auto; |
|---|
| 423 | margin-left:0in; |
|---|
| 424 | mso-pagination:widow-orphan; |
|---|
| 425 | mso-outline-level:3; |
|---|
| 426 | font-size:13.5pt; |
|---|
| 427 | font-family:"Times New Roman","serif"; |
|---|
| 428 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 429 | mso-fareast-theme-font:minor-fareast; |
|---|
| 430 | font-weight:bold;} |
|---|
| 431 | h4 |
|---|
| 432 | {mso-style-noshow:yes; |
|---|
| 433 | mso-style-priority:9; |
|---|
| 434 | mso-style-qformat:yes; |
|---|
| 435 | mso-style-link:"Heading 4 Char"; |
|---|
| 436 | mso-style-next:Normal; |
|---|
| 437 | margin-top:10.0pt; |
|---|
| 438 | margin-right:0in; |
|---|
| 439 | margin-bottom:0in; |
|---|
| 440 | margin-left:0in; |
|---|
| 441 | margin-bottom:.0001pt; |
|---|
| 442 | mso-pagination:widow-orphan lines-together; |
|---|
| 443 | page-break-after:avoid; |
|---|
| 444 | mso-outline-level:4; |
|---|
| 445 | font-size:13.0pt; |
|---|
| 446 | font-family:"Cambria","serif"; |
|---|
| 447 | mso-ascii-font-family:Cambria; |
|---|
| 448 | mso-ascii-theme-font:major-latin; |
|---|
| 449 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 450 | mso-fareast-theme-font:major-fareast; |
|---|
| 451 | mso-hansi-font-family:Cambria; |
|---|
| 452 | mso-hansi-theme-font:major-latin; |
|---|
| 453 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 454 | mso-bidi-theme-font:major-bidi; |
|---|
| 455 | color:#4F81BD; |
|---|
| 456 | mso-themecolor:accent1; |
|---|
| 457 | font-weight:bold; |
|---|
| 458 | font-style:italic;} |
|---|
| 459 | a:link, span.MsoHyperlink |
|---|
| 460 | {mso-style-priority:99; |
|---|
| 461 | color:blue; |
|---|
| 462 | text-decoration:underline; |
|---|
| 463 | text-underline:single;} |
|---|
| 464 | a:visited, span.MsoHyperlinkFollowed |
|---|
| 465 | {mso-style-noshow:yes; |
|---|
| 466 | mso-style-priority:99; |
|---|
| 467 | color:purple; |
|---|
| 468 | text-decoration:underline; |
|---|
| 469 | text-underline:single;} |
|---|
| 470 | h5 |
|---|
| 471 | {mso-style-priority:9; |
|---|
| 472 | mso-style-unhide:no; |
|---|
| 473 | mso-style-qformat:yes; |
|---|
| 474 | mso-style-link:"Heading 5 Char"; |
|---|
| 475 | mso-margin-top-alt:auto; |
|---|
| 476 | margin-right:0in; |
|---|
| 477 | mso-margin-bottom-alt:auto; |
|---|
| 478 | margin-left:0in; |
|---|
| 479 | mso-pagination:widow-orphan; |
|---|
| 480 | mso-outline-level:5; |
|---|
| 481 | font-size:12.0pt; |
|---|
| 482 | font-family:"Times New Roman","serif"; |
|---|
| 483 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 484 | mso-fareast-theme-font:minor-fareast; |
|---|
| 485 | color:#4F4FFF; |
|---|
| 486 | font-weight:bold;} |
|---|
| 487 | p |
|---|
| 488 | {mso-style-noshow:yes; |
|---|
| 489 | mso-style-priority:99; |
|---|
| 490 | mso-margin-top-alt:auto; |
|---|
| 491 | margin-right:0in; |
|---|
| 492 | mso-margin-bottom-alt:auto; |
|---|
| 493 | margin-left:0in; |
|---|
| 494 | mso-pagination:widow-orphan; |
|---|
| 495 | font-size:12.0pt; |
|---|
| 496 | font-family:"Times New Roman","serif"; |
|---|
| 497 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 498 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 499 | pre |
|---|
| 500 | {mso-style-noshow:yes; |
|---|
| 501 | mso-style-priority:99; |
|---|
| 502 | mso-style-link:"HTML Preformatted Char"; |
|---|
| 503 | margin:0in; |
|---|
| 504 | margin-bottom:.0001pt; |
|---|
| 505 | mso-pagination:widow-orphan; |
|---|
| 506 | 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; |
|---|
| 507 | font-size:10.0pt; |
|---|
| 508 | font-family:"Courier New"; |
|---|
| 509 | mso-fareast-font-family:"Times New Roman";} |
|---|
| 510 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
|---|
| 511 | {mso-style-noshow:yes; |
|---|
| 512 | mso-style-priority:99; |
|---|
| 513 | mso-style-link:"Balloon Text Char"; |
|---|
| 514 | margin:0in; |
|---|
| 515 | margin-bottom:.0001pt; |
|---|
| 516 | mso-pagination:widow-orphan; |
|---|
| 517 | font-size:8.0pt; |
|---|
| 518 | font-family:"Tahoma","sans-serif"; |
|---|
| 519 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 520 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 521 | span.MsoPlaceholderText |
|---|
| 522 | {mso-style-noshow:yes; |
|---|
| 523 | mso-style-priority:99; |
|---|
| 524 | mso-style-unhide:no; |
|---|
| 525 | color:gray;} |
|---|
| 526 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
|---|
| 527 | {mso-style-noshow:yes; |
|---|
| 528 | mso-style-priority:34; |
|---|
| 529 | mso-style-unhide:no; |
|---|
| 530 | mso-style-qformat:yes; |
|---|
| 531 | margin-top:0in; |
|---|
| 532 | margin-right:0in; |
|---|
| 533 | margin-bottom:0in; |
|---|
| 534 | margin-left:.5in; |
|---|
| 535 | margin-bottom:.0001pt; |
|---|
| 536 | mso-add-space:auto; |
|---|
| 537 | mso-pagination:widow-orphan; |
|---|
| 538 | font-size:12.0pt; |
|---|
| 539 | font-family:"Times New Roman","serif"; |
|---|
| 540 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 541 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 542 | p.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
|---|
| 543 | {mso-style-noshow:yes; |
|---|
| 544 | mso-style-priority:34; |
|---|
| 545 | mso-style-unhide:no; |
|---|
| 546 | mso-style-qformat:yes; |
|---|
| 547 | mso-style-type:export-only; |
|---|
| 548 | margin-top:0in; |
|---|
| 549 | margin-right:0in; |
|---|
| 550 | margin-bottom:0in; |
|---|
| 551 | margin-left:.5in; |
|---|
| 552 | margin-bottom:.0001pt; |
|---|
| 553 | mso-add-space:auto; |
|---|
| 554 | mso-pagination:widow-orphan; |
|---|
| 555 | font-size:12.0pt; |
|---|
| 556 | font-family:"Times New Roman","serif"; |
|---|
| 557 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 558 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 559 | p.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
|---|
| 560 | {mso-style-noshow:yes; |
|---|
| 561 | mso-style-priority:34; |
|---|
| 562 | mso-style-unhide:no; |
|---|
| 563 | mso-style-qformat:yes; |
|---|
| 564 | mso-style-type:export-only; |
|---|
| 565 | margin-top:0in; |
|---|
| 566 | margin-right:0in; |
|---|
| 567 | margin-bottom:0in; |
|---|
| 568 | margin-left:.5in; |
|---|
| 569 | margin-bottom:.0001pt; |
|---|
| 570 | mso-add-space:auto; |
|---|
| 571 | mso-pagination:widow-orphan; |
|---|
| 572 | font-size:12.0pt; |
|---|
| 573 | font-family:"Times New Roman","serif"; |
|---|
| 574 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 575 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 576 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
|---|
| 577 | {mso-style-noshow:yes; |
|---|
| 578 | mso-style-priority:34; |
|---|
| 579 | mso-style-unhide:no; |
|---|
| 580 | mso-style-qformat:yes; |
|---|
| 581 | mso-style-type:export-only; |
|---|
| 582 | margin-top:0in; |
|---|
| 583 | margin-right:0in; |
|---|
| 584 | margin-bottom:0in; |
|---|
| 585 | margin-left:.5in; |
|---|
| 586 | margin-bottom:.0001pt; |
|---|
| 587 | mso-add-space:auto; |
|---|
| 588 | mso-pagination:widow-orphan; |
|---|
| 589 | font-size:12.0pt; |
|---|
| 590 | font-family:"Times New Roman","serif"; |
|---|
| 591 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 592 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 593 | span.Heading1Char |
|---|
| 594 | {mso-style-name:"Heading 1 Char"; |
|---|
| 595 | mso-style-priority:9; |
|---|
| 596 | mso-style-unhide:no; |
|---|
| 597 | mso-style-locked:yes; |
|---|
| 598 | mso-style-link:"Heading 1"; |
|---|
| 599 | mso-ansi-font-size:14.0pt; |
|---|
| 600 | mso-bidi-font-size:14.0pt; |
|---|
| 601 | font-family:"Cambria","serif"; |
|---|
| 602 | mso-ascii-font-family:Cambria; |
|---|
| 603 | mso-ascii-theme-font:major-latin; |
|---|
| 604 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 605 | mso-fareast-theme-font:major-fareast; |
|---|
| 606 | mso-hansi-font-family:Cambria; |
|---|
| 607 | mso-hansi-theme-font:major-latin; |
|---|
| 608 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 609 | mso-bidi-theme-font:major-bidi; |
|---|
| 610 | color:#365F91; |
|---|
| 611 | mso-themecolor:accent1; |
|---|
| 612 | mso-themeshade:191; |
|---|
| 613 | font-weight:bold;} |
|---|
| 614 | span.Heading2Char |
|---|
| 615 | {mso-style-name:"Heading 2 Char"; |
|---|
| 616 | mso-style-noshow:yes; |
|---|
| 617 | mso-style-priority:9; |
|---|
| 618 | mso-style-unhide:no; |
|---|
| 619 | mso-style-locked:yes; |
|---|
| 620 | mso-style-link:"Heading 2"; |
|---|
| 621 | mso-ansi-font-size:13.0pt; |
|---|
| 622 | mso-bidi-font-size:13.0pt; |
|---|
| 623 | font-family:"Cambria","serif"; |
|---|
| 624 | mso-ascii-font-family:Cambria; |
|---|
| 625 | mso-ascii-theme-font:major-latin; |
|---|
| 626 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 627 | mso-fareast-theme-font:major-fareast; |
|---|
| 628 | mso-hansi-font-family:Cambria; |
|---|
| 629 | mso-hansi-theme-font:major-latin; |
|---|
| 630 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 631 | mso-bidi-theme-font:major-bidi; |
|---|
| 632 | color:#4F81BD; |
|---|
| 633 | mso-themecolor:accent1; |
|---|
| 634 | font-weight:bold;} |
|---|
| 635 | span.Heading3Char |
|---|
| 636 | {mso-style-name:"Heading 3 Char"; |
|---|
| 637 | mso-style-noshow:yes; |
|---|
| 638 | mso-style-priority:9; |
|---|
| 639 | mso-style-unhide:no; |
|---|
| 640 | mso-style-locked:yes; |
|---|
| 641 | mso-style-link:"Heading 3"; |
|---|
| 642 | mso-ansi-font-size:12.0pt; |
|---|
| 643 | mso-bidi-font-size:12.0pt; |
|---|
| 644 | font-family:"Cambria","serif"; |
|---|
| 645 | mso-ascii-font-family:Cambria; |
|---|
| 646 | mso-ascii-theme-font:major-latin; |
|---|
| 647 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 648 | mso-fareast-theme-font:major-fareast; |
|---|
| 649 | mso-hansi-font-family:Cambria; |
|---|
| 650 | mso-hansi-theme-font:major-latin; |
|---|
| 651 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 652 | mso-bidi-theme-font:major-bidi; |
|---|
| 653 | color:#4F81BD; |
|---|
| 654 | mso-themecolor:accent1; |
|---|
| 655 | font-weight:bold;} |
|---|
| 656 | span.Heading4Char |
|---|
| 657 | {mso-style-name:"Heading 4 Char"; |
|---|
| 658 | mso-style-noshow:yes; |
|---|
| 659 | mso-style-priority:9; |
|---|
| 660 | mso-style-unhide:no; |
|---|
| 661 | mso-style-locked:yes; |
|---|
| 662 | mso-style-link:"Heading 4"; |
|---|
| 663 | mso-ansi-font-size:12.0pt; |
|---|
| 664 | mso-bidi-font-size:12.0pt; |
|---|
| 665 | font-family:"Cambria","serif"; |
|---|
| 666 | mso-ascii-font-family:Cambria; |
|---|
| 667 | mso-ascii-theme-font:major-latin; |
|---|
| 668 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 669 | mso-fareast-theme-font:major-fareast; |
|---|
| 670 | mso-hansi-font-family:Cambria; |
|---|
| 671 | mso-hansi-theme-font:major-latin; |
|---|
| 672 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 673 | mso-bidi-theme-font:major-bidi; |
|---|
| 674 | color:#4F81BD; |
|---|
| 675 | mso-themecolor:accent1; |
|---|
| 676 | font-weight:bold; |
|---|
| 677 | font-style:italic;} |
|---|
| 678 | span.HTMLPreformattedChar |
|---|
| 679 | {mso-style-name:"HTML Preformatted Char"; |
|---|
| 680 | mso-style-noshow:yes; |
|---|
| 681 | mso-style-priority:99; |
|---|
| 682 | mso-style-unhide:no; |
|---|
| 683 | mso-style-locked:yes; |
|---|
| 684 | mso-style-link:"HTML Preformatted"; |
|---|
| 685 | font-family:"Courier New"; |
|---|
| 686 | mso-ascii-font-family:"Courier New"; |
|---|
| 687 | mso-hansi-font-family:"Courier New"; |
|---|
| 688 | mso-bidi-font-family:"Courier New";} |
|---|
| 689 | span.BalloonTextChar |
|---|
| 690 | {mso-style-name:"Balloon Text Char"; |
|---|
| 691 | mso-style-noshow:yes; |
|---|
| 692 | mso-style-priority:99; |
|---|
| 693 | mso-style-unhide:no; |
|---|
| 694 | mso-style-locked:yes; |
|---|
| 695 | mso-style-link:"Balloon Text"; |
|---|
| 696 | mso-ansi-font-size:8.0pt; |
|---|
| 697 | mso-bidi-font-size:8.0pt; |
|---|
| 698 | font-family:"Tahoma","sans-serif"; |
|---|
| 699 | mso-ascii-font-family:Tahoma; |
|---|
| 700 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 701 | mso-fareast-theme-font:minor-fareast; |
|---|
| 702 | mso-hansi-font-family:Tahoma; |
|---|
| 703 | mso-bidi-font-family:Tahoma;} |
|---|
| 704 | span.SpellE |
|---|
| 705 | {mso-style-name:""; |
|---|
| 706 | mso-spl-e:yes;} |
|---|
| 707 | span.GramE |
|---|
| 708 | {mso-style-name:""; |
|---|
| 709 | mso-gram-e:yes;} |
|---|
| 710 | .MsoChpDefault |
|---|
| 711 | {mso-style-type:export-only; |
|---|
| 712 | mso-default-props:yes; |
|---|
| 713 | font-size:10.0pt; |
|---|
| 714 | mso-ansi-font-size:10.0pt; |
|---|
| 715 | mso-bidi-font-size:10.0pt;} |
|---|
| 716 | @page WordSection1 |
|---|
| 717 | {size:8.5in 11.0in; |
|---|
| 718 | margin:1.0in 1.0in 1.0in 1.0in; |
|---|
| 719 | mso-header-margin:.5in; |
|---|
| 720 | mso-footer-margin:.5in; |
|---|
| 721 | mso-paper-source:0;} |
|---|
| 722 | div.WordSection1 |
|---|
| 723 | {page:WordSection1;} |
|---|
| 724 | /* List Definitions */ |
|---|
| 725 | @list l0 |
|---|
| 726 | {mso-list-id:359092647; |
|---|
| 727 | mso-list-type:hybrid; |
|---|
| 728 | mso-list-template-ids:1777530928 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 729 | @list l0:level1 |
|---|
| 730 | {mso-level-tab-stop:none; |
|---|
| 731 | mso-level-number-position:left; |
|---|
| 732 | text-indent:-.25in;} |
|---|
| 733 | @list l0:level2 |
|---|
| 734 | {mso-level-tab-stop:1.0in; |
|---|
| 735 | mso-level-number-position:left; |
|---|
| 736 | text-indent:-.25in;} |
|---|
| 737 | @list l0:level3 |
|---|
| 738 | {mso-level-tab-stop:1.5in; |
|---|
| 739 | mso-level-number-position:left; |
|---|
| 740 | text-indent:-.25in;} |
|---|
| 741 | @list l0:level4 |
|---|
| 742 | {mso-level-tab-stop:2.0in; |
|---|
| 743 | mso-level-number-position:left; |
|---|
| 744 | text-indent:-.25in;} |
|---|
| 745 | @list l0:level5 |
|---|
| 746 | {mso-level-tab-stop:2.5in; |
|---|
| 747 | mso-level-number-position:left; |
|---|
| 748 | text-indent:-.25in;} |
|---|
| 749 | @list l0:level6 |
|---|
| 750 | {mso-level-tab-stop:3.0in; |
|---|
| 751 | mso-level-number-position:left; |
|---|
| 752 | text-indent:-.25in;} |
|---|
| 753 | @list l0:level7 |
|---|
| 754 | {mso-level-tab-stop:3.5in; |
|---|
| 755 | mso-level-number-position:left; |
|---|
| 756 | text-indent:-.25in;} |
|---|
| 757 | @list l0:level8 |
|---|
| 758 | {mso-level-tab-stop:4.0in; |
|---|
| 759 | mso-level-number-position:left; |
|---|
| 760 | text-indent:-.25in;} |
|---|
| 761 | @list l0:level9 |
|---|
| 762 | {mso-level-tab-stop:4.5in; |
|---|
| 763 | mso-level-number-position:left; |
|---|
| 764 | text-indent:-.25in;} |
|---|
| 765 | @list l1 |
|---|
| 766 | {mso-list-id:656106218; |
|---|
| 767 | mso-list-type:hybrid; |
|---|
| 768 | mso-list-template-ids:185874704 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 769 | @list l1:level1 |
|---|
| 770 | {mso-level-tab-stop:none; |
|---|
| 771 | mso-level-number-position:left; |
|---|
| 772 | text-indent:-.25in;} |
|---|
| 773 | @list l1:level2 |
|---|
| 774 | {mso-level-tab-stop:1.0in; |
|---|
| 775 | mso-level-number-position:left; |
|---|
| 776 | text-indent:-.25in;} |
|---|
| 777 | @list l1:level3 |
|---|
| 778 | {mso-level-tab-stop:1.5in; |
|---|
| 779 | mso-level-number-position:left; |
|---|
| 780 | text-indent:-.25in;} |
|---|
| 781 | @list l1:level4 |
|---|
| 782 | {mso-level-tab-stop:2.0in; |
|---|
| 783 | mso-level-number-position:left; |
|---|
| 784 | text-indent:-.25in;} |
|---|
| 785 | @list l1:level5 |
|---|
| 786 | {mso-level-tab-stop:2.5in; |
|---|
| 787 | mso-level-number-position:left; |
|---|
| 788 | text-indent:-.25in;} |
|---|
| 789 | @list l1:level6 |
|---|
| 790 | {mso-level-tab-stop:3.0in; |
|---|
| 791 | mso-level-number-position:left; |
|---|
| 792 | text-indent:-.25in;} |
|---|
| 793 | @list l1:level7 |
|---|
| 794 | {mso-level-tab-stop:3.5in; |
|---|
| 795 | mso-level-number-position:left; |
|---|
| 796 | text-indent:-.25in;} |
|---|
| 797 | @list l1:level8 |
|---|
| 798 | {mso-level-tab-stop:4.0in; |
|---|
| 799 | mso-level-number-position:left; |
|---|
| 800 | text-indent:-.25in;} |
|---|
| 801 | @list l1:level9 |
|---|
| 802 | {mso-level-tab-stop:4.5in; |
|---|
| 803 | mso-level-number-position:left; |
|---|
| 804 | text-indent:-.25in;} |
|---|
| 805 | @list l2 |
|---|
| 806 | {mso-list-id:734669460; |
|---|
| 807 | mso-list-type:hybrid; |
|---|
| 808 | mso-list-template-ids:1679557810 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 809 | @list l2:level1 |
|---|
| 810 | {mso-level-tab-stop:none; |
|---|
| 811 | mso-level-number-position:left; |
|---|
| 812 | text-indent:-.25in;} |
|---|
| 813 | @list l2:level2 |
|---|
| 814 | {mso-level-tab-stop:1.0in; |
|---|
| 815 | mso-level-number-position:left; |
|---|
| 816 | text-indent:-.25in;} |
|---|
| 817 | @list l2:level3 |
|---|
| 818 | {mso-level-tab-stop:1.5in; |
|---|
| 819 | mso-level-number-position:left; |
|---|
| 820 | text-indent:-.25in;} |
|---|
| 821 | @list l2:level4 |
|---|
| 822 | {mso-level-tab-stop:2.0in; |
|---|
| 823 | mso-level-number-position:left; |
|---|
| 824 | text-indent:-.25in;} |
|---|
| 825 | @list l2:level5 |
|---|
| 826 | {mso-level-tab-stop:2.5in; |
|---|
| 827 | mso-level-number-position:left; |
|---|
| 828 | text-indent:-.25in;} |
|---|
| 829 | @list l2:level6 |
|---|
| 830 | {mso-level-tab-stop:3.0in; |
|---|
| 831 | mso-level-number-position:left; |
|---|
| 832 | text-indent:-.25in;} |
|---|
| 833 | @list l2:level7 |
|---|
| 834 | {mso-level-tab-stop:3.5in; |
|---|
| 835 | mso-level-number-position:left; |
|---|
| 836 | text-indent:-.25in;} |
|---|
| 837 | @list l2:level8 |
|---|
| 838 | {mso-level-tab-stop:4.0in; |
|---|
| 839 | mso-level-number-position:left; |
|---|
| 840 | text-indent:-.25in;} |
|---|
| 841 | @list l2:level9 |
|---|
| 842 | {mso-level-tab-stop:4.5in; |
|---|
| 843 | mso-level-number-position:left; |
|---|
| 844 | text-indent:-.25in;} |
|---|
| 845 | @list l3 |
|---|
| 846 | {mso-list-id:1035230400; |
|---|
| 847 | mso-list-type:hybrid; |
|---|
| 848 | mso-list-template-ids:-191352120 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 849 | @list l3:level1 |
|---|
| 850 | {mso-level-tab-stop:none; |
|---|
| 851 | mso-level-number-position:left; |
|---|
| 852 | text-indent:-.25in;} |
|---|
| 853 | @list l3:level2 |
|---|
| 854 | {mso-level-number-format:alpha-lower; |
|---|
| 855 | mso-level-tab-stop:none; |
|---|
| 856 | mso-level-number-position:left; |
|---|
| 857 | text-indent:-.25in;} |
|---|
| 858 | @list l3:level3 |
|---|
| 859 | {mso-level-tab-stop:1.5in; |
|---|
| 860 | mso-level-number-position:left; |
|---|
| 861 | text-indent:-.25in;} |
|---|
| 862 | @list l3:level4 |
|---|
| 863 | {mso-level-tab-stop:2.0in; |
|---|
| 864 | mso-level-number-position:left; |
|---|
| 865 | text-indent:-.25in;} |
|---|
| 866 | @list l3:level5 |
|---|
| 867 | {mso-level-tab-stop:2.5in; |
|---|
| 868 | mso-level-number-position:left; |
|---|
| 869 | text-indent:-.25in;} |
|---|
| 870 | @list l3:level6 |
|---|
| 871 | {mso-level-tab-stop:3.0in; |
|---|
| 872 | mso-level-number-position:left; |
|---|
| 873 | text-indent:-.25in;} |
|---|
| 874 | @list l3:level7 |
|---|
| 875 | {mso-level-tab-stop:3.5in; |
|---|
| 876 | mso-level-number-position:left; |
|---|
| 877 | text-indent:-.25in;} |
|---|
| 878 | @list l3:level8 |
|---|
| 879 | {mso-level-tab-stop:4.0in; |
|---|
| 880 | mso-level-number-position:left; |
|---|
| 881 | text-indent:-.25in;} |
|---|
| 882 | @list l3:level9 |
|---|
| 883 | {mso-level-tab-stop:4.5in; |
|---|
| 884 | mso-level-number-position:left; |
|---|
| 885 | text-indent:-.25in;} |
|---|
| 886 | @list l4 |
|---|
| 887 | {mso-list-id:1326516832; |
|---|
| 888 | mso-list-type:hybrid; |
|---|
| 889 | mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 890 | @list l4:level1 |
|---|
| 891 | {mso-level-tab-stop:none; |
|---|
| 892 | mso-level-number-position:left; |
|---|
| 893 | text-indent:-.25in;} |
|---|
| 894 | @list l4:level2 |
|---|
| 895 | {mso-level-tab-stop:1.0in; |
|---|
| 896 | mso-level-number-position:left; |
|---|
| 897 | text-indent:-.25in;} |
|---|
| 898 | @list l4:level3 |
|---|
| 899 | {mso-level-tab-stop:1.5in; |
|---|
| 900 | mso-level-number-position:left; |
|---|
| 901 | text-indent:-.25in;} |
|---|
| 902 | @list l4:level4 |
|---|
| 903 | {mso-level-tab-stop:2.0in; |
|---|
| 904 | mso-level-number-position:left; |
|---|
| 905 | text-indent:-.25in;} |
|---|
| 906 | @list l4:level5 |
|---|
| 907 | {mso-level-tab-stop:2.5in; |
|---|
| 908 | mso-level-number-position:left; |
|---|
| 909 | text-indent:-.25in;} |
|---|
| 910 | @list l4:level6 |
|---|
| 911 | {mso-level-tab-stop:3.0in; |
|---|
| 912 | mso-level-number-position:left; |
|---|
| 913 | text-indent:-.25in;} |
|---|
| 914 | @list l4:level7 |
|---|
| 915 | {mso-level-tab-stop:3.5in; |
|---|
| 916 | mso-level-number-position:left; |
|---|
| 917 | text-indent:-.25in;} |
|---|
| 918 | @list l4:level8 |
|---|
| 919 | {mso-level-tab-stop:4.0in; |
|---|
| 920 | mso-level-number-position:left; |
|---|
| 921 | text-indent:-.25in;} |
|---|
| 922 | @list l4:level9 |
|---|
| 923 | {mso-level-tab-stop:4.5in; |
|---|
| 924 | mso-level-number-position:left; |
|---|
| 925 | text-indent:-.25in;} |
|---|
| 926 | @list l5 |
|---|
| 927 | {mso-list-id:1602683002; |
|---|
| 928 | mso-list-type:hybrid; |
|---|
| 929 | mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 930 | @list l5:level1 |
|---|
| 931 | {mso-level-tab-stop:none; |
|---|
| 932 | mso-level-number-position:left; |
|---|
| 933 | text-indent:-.25in;} |
|---|
| 934 | @list l5:level2 |
|---|
| 935 | {mso-level-number-format:alpha-lower; |
|---|
| 936 | mso-level-tab-stop:none; |
|---|
| 937 | mso-level-number-position:left; |
|---|
| 938 | text-indent:-.25in;} |
|---|
| 939 | @list l5:level3 |
|---|
| 940 | {mso-level-tab-stop:1.5in; |
|---|
| 941 | mso-level-number-position:left; |
|---|
| 942 | text-indent:-.25in;} |
|---|
| 943 | @list l5:level4 |
|---|
| 944 | {mso-level-tab-stop:2.0in; |
|---|
| 945 | mso-level-number-position:left; |
|---|
| 946 | text-indent:-.25in;} |
|---|
| 947 | @list l5:level5 |
|---|
| 948 | {mso-level-tab-stop:2.5in; |
|---|
| 949 | mso-level-number-position:left; |
|---|
| 950 | text-indent:-.25in;} |
|---|
| 951 | @list l5:level6 |
|---|
| 952 | {mso-level-tab-stop:3.0in; |
|---|
| 953 | mso-level-number-position:left; |
|---|
| 954 | text-indent:-.25in;} |
|---|
| 955 | @list l5:level7 |
|---|
| 956 | {mso-level-tab-stop:3.5in; |
|---|
| 957 | mso-level-number-position:left; |
|---|
| 958 | text-indent:-.25in;} |
|---|
| 959 | @list l5:level8 |
|---|
| 960 | {mso-level-tab-stop:4.0in; |
|---|
| 961 | mso-level-number-position:left; |
|---|
| 962 | text-indent:-.25in;} |
|---|
| 963 | @list l5:level9 |
|---|
| 964 | {mso-level-tab-stop:4.5in; |
|---|
| 965 | mso-level-number-position:left; |
|---|
| 966 | text-indent:-.25in;} |
|---|
| 967 | @list l6 |
|---|
| 968 | {mso-list-id:2029942403; |
|---|
| 969 | mso-list-type:hybrid; |
|---|
| 970 | mso-list-template-ids:-1051437922 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} |
|---|
| 971 | @list l6:level1 |
|---|
| 972 | {mso-level-tab-stop:none; |
|---|
| 973 | mso-level-number-position:left; |
|---|
| 974 | text-indent:-.25in;} |
|---|
| 975 | @list l6:level2 |
|---|
| 976 | {mso-level-tab-stop:1.0in; |
|---|
| 977 | mso-level-number-position:left; |
|---|
| 978 | text-indent:-.25in;} |
|---|
| 979 | @list l6:level3 |
|---|
| 980 | {mso-level-tab-stop:1.5in; |
|---|
| 981 | mso-level-number-position:left; |
|---|
| 982 | text-indent:-.25in;} |
|---|
| 983 | @list l6:level4 |
|---|
| 984 | {mso-level-tab-stop:2.0in; |
|---|
| 985 | mso-level-number-position:left; |
|---|
| 986 | text-indent:-.25in;} |
|---|
| 987 | @list l6:level5 |
|---|
| 988 | {mso-level-tab-stop:2.5in; |
|---|
| 989 | mso-level-number-position:left; |
|---|
| 990 | text-indent:-.25in;} |
|---|
| 991 | @list l6:level6 |
|---|
| 992 | {mso-level-tab-stop:3.0in; |
|---|
| 993 | mso-level-number-position:left; |
|---|
| 994 | text-indent:-.25in;} |
|---|
| 995 | @list l6:level7 |
|---|
| 996 | {mso-level-tab-stop:3.5in; |
|---|
| 997 | mso-level-number-position:left; |
|---|
| 998 | text-indent:-.25in;} |
|---|
| 999 | @list l6:level8 |
|---|
| 1000 | {mso-level-tab-stop:4.0in; |
|---|
| 1001 | mso-level-number-position:left; |
|---|
| 1002 | text-indent:-.25in;} |
|---|
| 1003 | @list l6:level9 |
|---|
| 1004 | {mso-level-tab-stop:4.5in; |
|---|
| 1005 | mso-level-number-position:left; |
|---|
| 1006 | text-indent:-.25in;} |
|---|
| 1007 | ol |
|---|
| 1008 | {margin-bottom:0in;} |
|---|
| 1009 | ul |
|---|
| 1010 | {margin-bottom:0in;} |
|---|
| 1011 | --> |
|---|
| 1012 | </style> |
|---|
| 1013 | <!--[if gte mso 10]> |
|---|
| 1014 | <style> |
|---|
| 1015 | /* Style Definitions */ |
|---|
| 1016 | table.MsoNormalTable |
|---|
| 1017 | {mso-style-name:"Table Normal"; |
|---|
| 1018 | mso-tstyle-rowband-size:0; |
|---|
| 1019 | mso-tstyle-colband-size:0; |
|---|
| 1020 | mso-style-noshow:yes; |
|---|
| 1021 | mso-style-priority:99; |
|---|
| 1022 | mso-style-qformat:yes; |
|---|
| 1023 | mso-style-parent:""; |
|---|
| 1024 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
|---|
| 1025 | mso-para-margin:0in; |
|---|
| 1026 | mso-para-margin-bottom:.0001pt; |
|---|
| 1027 | mso-pagination:widow-orphan; |
|---|
| 1028 | font-size:10.0pt; |
|---|
| 1029 | font-family:"Times New Roman","serif";} |
|---|
| 1030 | </style> |
|---|
| 1031 | <![endif]--><!--[if gte mso 9]><xml> |
|---|
| 1032 | <o:shapedefaults v:ext="edit" spidmax="6146"/> |
|---|
| 1033 | </xml><![endif]--><!--[if gte mso 9]><xml> |
|---|
| 1034 | <o:shapelayout v:ext="edit"> |
|---|
| 1035 | <o:idmap v:ext="edit" data="1"/> |
|---|
| 1036 | </o:shapelayout></xml><![endif]--> |
|---|
| 1037 | </head> |
|---|
| 1038 | |
|---|
| 1039 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
|---|
| 1040 | |
|---|
| 1041 | <div class=WordSection1> |
|---|
| 1042 | |
|---|
| 1043 | <h1><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600" |
|---|
| 1044 | o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f" |
|---|
| 1045 | stroked="f"> |
|---|
| 1046 | <v:stroke joinstyle="miter"/> |
|---|
| 1047 | <v:formulas> |
|---|
| 1048 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
|---|
| 1049 | <v:f eqn="sum @0 1 0"/> |
|---|
| 1050 | <v:f eqn="sum 0 0 @1"/> |
|---|
| 1051 | <v:f eqn="prod @2 1 2"/> |
|---|
| 1052 | <v:f eqn="prod @3 21600 pixelWidth"/> |
|---|
| 1053 | <v:f eqn="prod @3 21600 pixelHeight"/> |
|---|
| 1054 | <v:f eqn="sum @0 0 1"/> |
|---|
| 1055 | <v:f eqn="prod @6 1 2"/> |
|---|
| 1056 | <v:f eqn="prod @7 21600 pixelWidth"/> |
|---|
| 1057 | <v:f eqn="sum @8 21600 0"/> |
|---|
| 1058 | <v:f eqn="prod @7 21600 pixelHeight"/> |
|---|
| 1059 | <v:f eqn="sum @10 21600 0"/> |
|---|
| 1060 | </v:formulas> |
|---|
| 1061 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
|---|
| 1062 | <o:lock v:ext="edit" aspectratio="t"/> |
|---|
| 1063 | </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1035" type="#_x0000_t75" |
|---|
| 1064 | alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; |
|---|
| 1065 | width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; |
|---|
| 1066 | mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0; |
|---|
| 1067 | mso-wrap-distance-bottom:0;mso-position-horizontal:right; |
|---|
| 1068 | mso-position-horizontal-relative:text;mso-position-vertical:absolute; |
|---|
| 1069 | mso-position-vertical-relative:line' o:allowoverlap="f"> |
|---|
| 1070 | <v:imagedata src="gsas2logo.png"/> |
|---|
| 1071 | <w:wrap type="square" anchory="line"/> |
|---|
| 1072 | </v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png |
|---|
| 1073 | align=right alt="GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span |
|---|
| 1074 | style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1> |
|---|
| 1075 | |
|---|
| 1076 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1077 | is where to find help on various GSAS-II windows and plots. |
|---|
| 1078 | Note that GSAS-II operates with three windows: the main <a href="#Data_tree"> |
|---|
| 1079 | GSAS-II data tree</A> window, which provides a hierarchical view of |
|---|
| 1080 | the current project; the <a href="#Data_Frame"> |
|---|
| 1081 | GSAS-II data editing</A> window, which shows the contents of a |
|---|
| 1082 | particular section of the project, where values can be examined and |
|---|
| 1083 | changed; and the <a href="#Plots"> |
|---|
| 1084 | GSAS-II Plots</A> window, which shows graphical representations of the results. |
|---|
| 1085 | <o:p></o:p></span></p> |
|---|
| 1086 | |
|---|
| 1087 | <P><hr><hr> |
|---|
| 1088 | <h2><a name="Data_tree"><span style='mso-fareast-font-family:"Times |
|---|
| 1089 | New Roman"'>1. GSAS-II |
|---|
| 1090 | data tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2> |
|---|
| 1091 | |
|---|
| 1092 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1093 | is a hierarchical view of the data items in your GSAS-II project (name.gpx). Clicking |
|---|
| 1094 | on any item in the window opens a view where information in that item can be |
|---|
| 1095 | viewed or edited. For example, the <a href="#Sample_Parameters">"Sample |
|---|
| 1096 | Parameters"</a> item contains information about how data were collected, |
|---|
| 1097 | such as the sample temperature <a href="#Sample_Parameters">(see below)</a>. <o:p></o:p></span></p> |
|---|
| 1098 | |
|---|
| 1099 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1100 | The menus associated with this window provide access to many features |
|---|
| 1101 | of GSAS-II, as outlined below: |
|---|
| 1102 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span |
|---|
| 1103 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1104 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 1105 | ‘<b style='mso-bidi-font-weight:normal'>File</b>’ –</p> |
|---|
| 1106 | |
|---|
| 1107 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1108 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1109 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1110 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1111 | style='mso-bidi-font-weight:normal'>Open project…</b> - Open a previously |
|---|
| 1112 | saved GSAS-II project file (name.gpx). If you currently have a project file |
|---|
| 1113 | open, you are asked if it is OK to over write it; Cancel will cancel the |
|---|
| 1114 | process.</p> |
|---|
| 1115 | |
|---|
| 1116 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1117 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1118 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1119 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1120 | style='mso-bidi-font-weight:normal'>Save project</b> – Save the current |
|---|
| 1121 | project. If a file name is shown after ‘Loaded <span class=GramE>Data:’<span |
|---|
| 1122 | style='mso-fareast-font-family:"Times New Roman"'>,</span></span><span |
|---|
| 1123 | style='mso-fareast-font-family:"Times New Roman"'> it will be saved there. |
|---|
| 1124 | Otherwise, you will be prompted for a new name in a file dialog (you may change |
|---|
| 1125 | directory as well). If the file exists, you will be asked if it OK to |
|---|
| 1126 | overwrite.</span></p> |
|---|
| 1127 | |
|---|
| 1128 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1129 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1130 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1131 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1132 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Save |
|---|
| 1133 | As…</span></b><span style='mso-fareast-font-family:"Times New Roman"'> - |
|---|
| 1134 | Save the current project to a new file. A file dialog will be shown to enter |
|---|
| 1135 | the name (and change directory if desired). If the file exists, you will be |
|---|
| 1136 | asked if it OK to overwrite.</span></p> |
|---|
| 1137 | |
|---|
| 1138 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1139 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1140 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1141 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1142 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Close |
|---|
| 1143 | project</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1144 | – Close the current project; you will be asked if you want to save it |
|---|
| 1145 | first.</span></p> |
|---|
| 1146 | |
|---|
| 1147 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1148 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1149 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 1150 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1151 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Exit</span></b><span |
|---|
| 1152 | style='mso-fareast-font-family:"Times New Roman"'> – Exit the GSAS-II |
|---|
| 1153 | program; if there is a current project you will be asked if you want to save it |
|---|
| 1154 | first. Pressing the red X in the upper right (Windows) also exits (no save |
|---|
| 1155 | option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> |
|---|
| 1156 | |
|---|
| 1157 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span |
|---|
| 1158 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1159 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 1160 | ‘<b style='mso-bidi-font-weight:normal'>Data</b>’ – </p> |
|---|
| 1161 | |
|---|
| 1162 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1163 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1164 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1165 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1166 | style='mso-bidi-font-weight:normal'>Read powder data…</b> - Read in |
|---|
| 1167 | powder diffraction patterns (multiple patterns can be selected). GSAS-II can |
|---|
| 1168 | read most of the old GSAS powder format files with the position in <span |
|---|
| 1169 | class=SpellE>centidegrees</span> 2-theta. It can also read “<span |
|---|
| 1170 | class=SpellE>xye</span>” format files used by <span class=SpellE>topas</span> |
|---|
| 1171 | where the position is in degrees 2-theta. As each file is read, an old GSAS |
|---|
| 1172 | style “instrument parameter file” is searched for; if not found a <span |
|---|
| 1173 | class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory |
|---|
| 1174 | data set is assumed. </p> |
|---|
| 1175 | |
|---|
| 1176 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1177 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1178 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1179 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1180 | style='mso-bidi-font-weight:normal'>Read image data…</b> - </p> |
|---|
| 1181 | |
|---|
| 1182 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1183 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1184 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1185 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1186 | style='mso-bidi-font-weight:normal'>Read Powder Pattern Peaks…</b> - </p> |
|---|
| 1187 | |
|---|
| 1188 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1189 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1190 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1191 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1192 | style='mso-bidi-font-weight:normal'>Read single crystal data…</b> - </p> |
|---|
| 1193 | |
|---|
| 1194 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1195 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1196 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 1197 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1198 | style='mso-bidi-font-weight:normal'>Sum powder data</b> - </p> |
|---|
| 1199 | |
|---|
| 1200 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1201 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1202 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 1203 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1204 | style='mso-bidi-font-weight:normal'>Sum image data</b> - </p> |
|---|
| 1205 | |
|---|
| 1206 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1207 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1208 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span |
|---|
| 1209 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1210 | style='mso-bidi-font-weight:normal'>Add phase</b> - </p> |
|---|
| 1211 | |
|---|
| 1212 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1213 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1214 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span |
|---|
| 1215 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1216 | style='mso-bidi-font-weight:normal'>Delete phase</b> - </p> |
|---|
| 1217 | |
|---|
| 1218 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1219 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1220 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span |
|---|
| 1221 | style='font:7.0pt "Times New Roman"'> |
|---|
| 1222 | </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Rename |
|---|
| 1223 | data</b> - </p> |
|---|
| 1224 | |
|---|
| 1225 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1226 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1227 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span |
|---|
| 1228 | style='font:7.0pt "Times New Roman"'> |
|---|
| 1229 | </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete |
|---|
| 1230 | data</b> - </p> |
|---|
| 1231 | |
|---|
| 1232 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span |
|---|
| 1233 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 1234 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 1235 | ‘<b style='mso-bidi-font-weight:normal'>Calculate</b>’ – </p> |
|---|
| 1236 | |
|---|
| 1237 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1238 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1239 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1240 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1241 | style='mso-bidi-font-weight:normal'>Make new PDFs</b> - </p> |
|---|
| 1242 | |
|---|
| 1243 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1244 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1245 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1246 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1247 | style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b> |
|---|
| 1248 | - </p> |
|---|
| 1249 | |
|---|
| 1250 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1251 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1252 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1253 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1254 | style='mso-bidi-font-weight:normal'>Refine</b> - </p> |
|---|
| 1255 | |
|---|
| 1256 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1257 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1258 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1259 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1260 | style='mso-bidi-font-weight:normal'>Sequential refine</b> - </p> |
|---|
| 1261 | |
|---|
| 1262 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1263 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1264 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 1265 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1266 | style='mso-bidi-font-weight:normal'>Solve</b> - </p> |
|---|
| 1267 | |
|---|
| 1268 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span |
|---|
| 1269 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 1270 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 1271 | ‘<b style='mso-bidi-font-weight:normal'>Import</b>’ – </p> |
|---|
| 1272 | |
|---|
| 1273 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1274 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1275 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1276 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1277 | style='mso-bidi-font-weight:normal'>Import GSAS Exp phase…</b> - </p> |
|---|
| 1278 | |
|---|
| 1279 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1280 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1281 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1282 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1283 | style='mso-bidi-font-weight:normal'>Import PDB phase…</b> - </p> |
|---|
| 1284 | |
|---|
| 1285 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1286 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1287 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1288 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1289 | style='mso-bidi-font-weight:normal'>Import CIF phase…</b> - </p> |
|---|
| 1290 | |
|---|
| 1291 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1292 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1293 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1294 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1295 | style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> |
|---|
| 1296 | |
|---|
| 1297 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo2'><![if !supportLists]><span |
|---|
| 1298 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 1299 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu |
|---|
| 1300 | ‘<b style='mso-bidi-font-weight:normal'>Export</b>’ –</p> |
|---|
| 1301 | |
|---|
| 1302 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1303 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1304 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1305 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1306 | style='mso-bidi-font-weight:normal'>Export Powder Patterns…</b> - </p> |
|---|
| 1307 | |
|---|
| 1308 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1309 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1310 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1311 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1312 | style='mso-bidi-font-weight:normal'>Export All Peak Lists…</b> - </p> |
|---|
| 1313 | |
|---|
| 1314 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1315 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1316 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1317 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1318 | style='mso-bidi-font-weight:normal'>Export HKLs…</b> - </p> |
|---|
| 1319 | |
|---|
| 1320 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1321 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1322 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1323 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1324 | style='mso-bidi-font-weight:normal'>Export PDF…</b> - </p> |
|---|
| 1325 | |
|---|
| 1326 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1327 | auto;text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1328 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span |
|---|
| 1329 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1330 | style='mso-bidi-font-weight:normal'>Export Phase…</b> - </p> |
|---|
| 1331 | |
|---|
| 1332 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 1333 | text-indent:-.25in;mso-list:l3 level2 lfo2'><![if !supportLists]><span |
|---|
| 1334 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span |
|---|
| 1335 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1336 | style='mso-bidi-font-weight:normal'>Export CIF…</b> - </p> |
|---|
| 1337 | |
|---|
| 1338 | <P><hr><hr> |
|---|
| 1339 | <h2><a name="Data_Frame"><span style='mso-fareast-font-family:"Times |
|---|
| 1340 | New Roman"'>2. GSAS-II |
|---|
| 1341 | Data Editing Window</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2> |
|---|
| 1342 | Different information is displayed in the Data Editing Window, |
|---|
| 1343 | depending on which section of the <a href="#Data_tree">data tree</A> |
|---|
| 1344 | is selected. For example, clicking on the "Notebook" entry of the tree |
|---|
| 1345 | brings up the Notebook editing window described below. |
|---|
| 1346 | |
|---|
| 1347 | <h4><a name=Notebook><span style='mso-fareast-font-family:"Times New Roman"'>Notebook</span></a><span |
|---|
| 1348 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1349 | |
|---|
| 1350 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1351 | window provides a place for you to enter whatever text commentary you wish. |
|---|
| 1352 | Each time you enter this window, a date/time entry is provided for you. A |
|---|
| 1353 | possibly useful technique is to select a portion of the console window after a |
|---|
| 1354 | refinement completes (it will contain refinement results with residuals, new |
|---|
| 1355 | values & <span class=SpellE>esds</span>) and paste it into this Notebook |
|---|
| 1356 | window so it becomes a part of your project file.<o:p></o:p></span></p> |
|---|
| 1357 | |
|---|
| 1358 | <h4><a name=Controls><span style='mso-fareast-font-family:"Times New Roman"'>Controls</span></a><span |
|---|
| 1359 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1360 | |
|---|
| 1361 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1362 | window provides the main controls for the major calculations in GSAS-II. At |
|---|
| 1363 | present only Refinement Controls are presented.<o:p></o:p></span></p> |
|---|
| 1364 | |
|---|
| 1365 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 1366 | main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span> |
|---|
| 1367 | MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> |
|---|
| 1368 | algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span> |
|---|
| 1369 | package. Their purpose is to </span>minimize the sum of the squares of M<span |
|---|
| 1370 | style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N |
|---|
| 1371 | variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt |
|---|
| 1372 | algorithm as written by </span>Burton S. <span class=SpellE>Garbow</span>, |
|---|
| 1373 | Kenneth E. <span class=SpellE>Hillstrom</span>, <span class=GramE>Jorge</span> |
|---|
| 1374 | J. <span class=GramE>More (Argonne National Laboratory, 1980).</span></p> |
|---|
| 1375 | |
|---|
| 1376 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1377 | |
|---|
| 1378 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span |
|---|
| 1379 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1380 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1381 | style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement |
|---|
| 1382 | uses ‘analytic’ or ‘numeric’ derivatives. The latter is |
|---|
| 1383 | slower and perhaps a bit less accurate, but may be needed if the analytic |
|---|
| 1384 | functions are not fully developed. Generally use ‘analytic’ for |
|---|
| 1385 | routine work.<o:p></o:p></span></p> |
|---|
| 1386 | |
|---|
| 1387 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span |
|---|
| 1388 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1389 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1390 | style='mso-fareast-font-family:"Times New Roman"'>Select ‘Min |
|---|
| 1391 | delta-M/M’ for convergence; the refinement will stop when the change in |
|---|
| 1392 | the minimization function is less than this value. Set Min delta-M/M = 1.0 to |
|---|
| 1393 | force just a single cycle to be performed. A value less than 10<sup>-4</sup> |
|---|
| 1394 | (the default) generally gives no better result. The allowed range is 10<sup>-9</sup> |
|---|
| 1395 | to 1.0.<o:p></o:p></span></p> |
|---|
| 1396 | |
|---|
| 1397 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span |
|---|
| 1398 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 1399 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1400 | style='mso-fareast-font-family:"Times New Roman"'>Select ‘Initial shift |
|---|
| 1401 | factor’ for the first cycle of refinement. This value is modified by the |
|---|
| 1402 | least squares routine. The allowed range is 10<sup>-5</sup> to 100. Smaller |
|---|
| 1403 | values may be needed if your initial <span class=GramE>refinement</span> trials |
|---|
| 1404 | immediately diverge, however make sure your starting parameter values are |
|---|
| 1405 | ‘reasonable’. The selected default (=1.0) normally gives good |
|---|
| 1406 | performance.<o:p></o:p></span></p> |
|---|
| 1407 | |
|---|
| 1408 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo4'><![if !supportLists]><span |
|---|
| 1409 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 1410 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1411 | style='mso-fareast-font-family:"Times New Roman"'>Select data for sequential |
|---|
| 1412 | refinement; the data sets may be done in ‘reverse order’. <o:p></o:p></span></p> |
|---|
| 1413 | |
|---|
| 1414 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>Covariance<o:p></o:p></span></h4> |
|---|
| 1415 | |
|---|
| 1416 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1417 | window is blank; the GSASII Plots window ‘<a href="#Covariance">Covariance’</a> |
|---|
| 1418 | shows a graphical representation of the variance-covariance matrix <o:p></o:p></span></p> |
|---|
| 1419 | |
|---|
| 1420 | <h4><a name=Constraints><span style='mso-fareast-font-family:"Times New Roman"'>Constraints<o:p></o:p></span></a></h4> |
|---|
| 1421 | |
|---|
| 1422 | <span style='mso-bookmark:Constraints'></span> |
|---|
| 1423 | |
|---|
| 1424 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1425 | window shows the constraints to be used in a refinement. It is organized into |
|---|
| 1426 | three tabbed pages. ‘Phase constraints’ contain those involving |
|---|
| 1427 | parameters that describe aspects of the crystalline phases to be used in the |
|---|
| 1428 | refinement (e.g. atom coordinates, thermal motion and site fraction |
|---|
| 1429 | parameters). ‘Histogram/Phase constraints’ are those which describe |
|---|
| 1430 | aspects of the pattern that depend on both the phase and the data set used in |
|---|
| 1431 | the refinement (e.g. </span><span style='font-family:Symbol;mso-fareast-font-family: |
|---|
| 1432 | "Times New Roman"'>m</span><span style='mso-fareast-font-family:"Times New Roman"'>strain |
|---|
| 1433 | and crystallite size parameters). ‘Histogram constraints’ are those |
|---|
| 1434 | that depend only on the data set (e.g. profile coefficients U<span class=GramE>,V,W,X</span> |
|---|
| 1435 | and Y).<o:p></o:p></span></p> |
|---|
| 1436 | |
|---|
| 1437 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1438 | |
|---|
| 1439 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span |
|---|
| 1440 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1441 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1442 | style='mso-fareast-font-family:"Times New Roman"'>Select the tab for the parameter |
|---|
| 1443 | types you wish to constrain. Each will have the same possibilities in the |
|---|
| 1444 | ‘Edit menu.<o:p></o:p></span></p> |
|---|
| 1445 | |
|---|
| 1446 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo6'><![if !supportLists]><span |
|---|
| 1447 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1448 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1449 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 1450 | style='mso-bidi-font-weight:normal'>Edit</b>’ – <o:p></o:p></span></p> |
|---|
| 1451 | |
|---|
| 1452 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1453 | auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span |
|---|
| 1454 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span |
|---|
| 1455 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1456 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: |
|---|
| 1457 | "Times New Roman"'>Add</span></b></span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1458 | style='mso-fareast-font-family:"Times New Roman"'> Hold</span></b><span |
|---|
| 1459 | style='mso-fareast-font-family:"Times New Roman"'> – select a parameter |
|---|
| 1460 | that you wish to remain fixed although other parameters of the same type may be |
|---|
| 1461 | selected as a group for refinement. For example, if the space group for a phase |
|---|
| 1462 | has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter |
|---|
| 1463 | is arbitrary and should be selected for a Hold to keep the structure from |
|---|
| 1464 | drifting up or down the y-axis during refinement. If selected, a dialog box |
|---|
| 1465 | will appear showing the list of available parameters; select one and then OK to |
|---|
| 1466 | implement it, Cancel will cancel the operation. The held parameter will be |
|---|
| 1467 | shown in the constraint window with the keyword ‘FIXED’. A Delete |
|---|
| 1468 | button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 1469 | |
|---|
| 1470 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1471 | auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span |
|---|
| 1472 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span |
|---|
| 1473 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1474 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 1475 | equivalence</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1476 | – select a list of parameters that should have the same value (possibly |
|---|
| 1477 | with a non-unitary multiplier for some). Examples are a list of atoms with the |
|---|
| 1478 | same thermal motion <span class=SpellE>Uiso</span>, sets of profile |
|---|
| 1479 | coefficients U<span class=GramE>,V,W</span> across multiple data sets. If |
|---|
| 1480 | selected, a dialog box will appear with a list of the available parameters. |
|---|
| 1481 | Select one and press OK; a second dialog box will appear with only those |
|---|
| 1482 | parameters that can be made equivalent to the first one. Choose those and press |
|---|
| 1483 | OK. Cancel in either dialog will cancel the operation. The equivalenced |
|---|
| 1484 | 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; |
|---|
| 1485 | usually M1=1.0 and M2=-1.0, but can be changed via the ‘Edit’ |
|---|
| 1486 | button. The keyword ‘EQUIV’ marks it as <span class=GramE>an |
|---|
| 1487 | equivalence</span>. A Delete button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 1488 | |
|---|
| 1489 | <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: |
|---|
| 1490 | auto;text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span |
|---|
| 1491 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span |
|---|
| 1492 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1493 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 1494 | constraint</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1495 | – select a list of parameters whose sum (with possible non-unitary |
|---|
| 1496 | multipliers) is fixed. For example, the sum of site fractions for atoms on the |
|---|
| 1497 | same site could be fixed to unity. If selected, a dialog box will appear with a |
|---|
| 1498 | list of the available parameters. Select one and press OK; a second dialog box |
|---|
| 1499 | will appear with only those parameters that can be used in a constraint with |
|---|
| 1500 | the first one. Choose those and press OK. Cancel in either dialog will cancel |
|---|
| 1501 | the operation. The equivalenced parameters will show as an equation of the form |
|---|
| 1502 | M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+…=C; the |
|---|
| 1503 | multipliers M1, <span class=GramE>M2, …</span> and C can be changed via |
|---|
| 1504 | the ‘Edit’ button. The keyword ‘CONSTR’ marks it as a |
|---|
| 1505 | constraint. A Delete button can be used to remove it.<o:p></o:p></span></p> |
|---|
| 1506 | |
|---|
| 1507 | <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; |
|---|
| 1508 | text-indent:-.25in;mso-list:l5 level2 lfo6'><![if !supportLists]><span |
|---|
| 1509 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span |
|---|
| 1510 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
|---|
| 1511 | style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Add |
|---|
| 1512 | function</span></b><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1513 | – this is very similar the “Add constraint” type except that |
|---|
| 1514 | the result of the sum can be varied in the refinement. The keyword |
|---|
| 1515 | ‘FUNCT’ marks it as a function; the ‘Refine?’ box |
|---|
| 1516 | indicates your choice to refine the result of the sum. A Delete button can be |
|---|
| 1517 | used to remove it.<o:p></o:p></span></p> |
|---|
| 1518 | |
|---|
| 1519 | <h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span |
|---|
| 1520 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1521 | |
|---|
| 1522 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1523 | window... <o:p></o:p></span></p> |
|---|
| 1524 | |
|---|
| 1525 | <h4><a name=Limits><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></a><span |
|---|
| 1526 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1527 | |
|---|
| 1528 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1529 | window shows the limits in position to be used in any fitting for this powder |
|---|
| 1530 | pattern. The ‘original’ values are obtained from the minimum & |
|---|
| 1531 | maximum values in the powder pattern. You can modify ‘changed’ as |
|---|
| 1532 | needed.<o:p></o:p></span></p> |
|---|
| 1533 | |
|---|
| 1534 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1535 | |
|---|
| 1536 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span |
|---|
| 1537 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1538 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1539 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 1540 | style='mso-bidi-font-weight:normal'>File</b>’ – <b |
|---|
| 1541 | style='mso-bidi-font-weight:normal'>Copy</b> - this copies the limits shown to |
|---|
| 1542 | other selected powder patterns. If used, a dialog box (Copy Limits) will appear |
|---|
| 1543 | showing the list of available powder patterns, you can copy the limits to any |
|---|
| 1544 | or all of them; select ‘All’ to copy them to all patterns. Then |
|---|
| 1545 | select ‘OK’ to do the copy; ‘Cancel’ to cancel the |
|---|
| 1546 | operation.<o:p></o:p></span></p> |
|---|
| 1547 | |
|---|
| 1548 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo8'><![if !supportLists]><span |
|---|
| 1549 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1550 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1551 | style='mso-fareast-font-family:"Times New Roman"'>You can change <span |
|---|
| 1552 | class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the |
|---|
| 1553 | ‘changed’ row as needed. Use the mouse to select the value to be |
|---|
| 1554 | changed (the background on the box will be blue or have a black border or a |
|---|
| 1555 | vertical bar will appear in the value), then enter the new value and press |
|---|
| 1556 | Enter or click the mouse elsewhere in the Background window. This will set the |
|---|
| 1557 | new value.<o:p></o:p></span></p> |
|---|
| 1558 | |
|---|
| 1559 | |
|---|
| 1560 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture Control |
|---|
| 1561 | Window<o:p></o:p></span></h4> |
|---|
| 1562 | |
|---|
| 1563 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1564 | window... <o:p></o:p></span></p> |
|---|
| 1565 | |
|---|
| 1566 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>Image Masks<o:p></o:p></span></h4> |
|---|
| 1567 | |
|---|
| 1568 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1569 | window... <o:p></o:p></span></p> |
|---|
| 1570 | |
|---|
| 1571 | <h4><span style='mso-fareast-font-family:"Times New Roman"'>Atoms Control |
|---|
| 1572 | Window<o:p></o:p></span></h4> |
|---|
| 1573 | |
|---|
| 1574 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1575 | window... <o:p></o:p></span></p> |
|---|
| 1576 | |
|---|
| 1577 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>Diffraction Data |
|---|
| 1578 | Control Window<o:p></o:p></span></h3> |
|---|
| 1579 | |
|---|
| 1580 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1581 | window... <o:p></o:p></span></p> |
|---|
| 1582 | |
|---|
| 1583 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>Draw Atoms Control |
|---|
| 1584 | Window<o:p></o:p></span></h3> |
|---|
| 1585 | |
|---|
| 1586 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1587 | window... <o:p></o:p></span></p> |
|---|
| 1588 | |
|---|
| 1589 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>Pawley Control |
|---|
| 1590 | Window<o:p></o:p></span></h3> |
|---|
| 1591 | |
|---|
| 1592 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1593 | window... <o:p></o:p></span></p> |
|---|
| 1594 | |
|---|
| 1595 | <h3><a name=Images><span style='mso-fareast-font-family:"Times New Roman"'>Images |
|---|
| 1596 | Control<o:p></o:p></span></a></h3> |
|---|
| 1597 | |
|---|
| 1598 | <span style='mso-bookmark:Images'></span> |
|---|
| 1599 | |
|---|
| 1600 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1601 | window... <o:p></o:p></span></p> |
|---|
| 1602 | |
|---|
| 1603 | <h3><span style='mso-fareast-font-family:"Times New Roman"'>PDF Controls |
|---|
| 1604 | Control Window<o:p></o:p></span></h3> |
|---|
| 1605 | |
|---|
| 1606 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1607 | window... <o:p></o:p></span></p> |
|---|
| 1608 | |
|---|
| 1609 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 1610 | |
|---|
| 1611 | <H3>Phase Windows</H3> |
|---|
| 1612 | When a phase is selected from the <a href="#Data_tree">data tree</A>, |
|---|
| 1613 | parameters are show from that selected phase in a tabbed |
|---|
| 1614 | window. Clicking on the tab raises the windows listed below. |
|---|
| 1615 | <blockquote> |
|---|
| 1616 | <A name="General"><H4><U>General</U> Phase Parameters</H4></A> |
|---|
| 1617 | This is used for overall parameters describing the phase such as the |
|---|
| 1618 | space group, the unit cell parameters and overall parameters for |
|---|
| 1619 | the atom present in the phase. |
|---|
| 1620 | <A name="Data"><H4>Sample <U>Data</U></H4></A> |
|---|
| 1621 | <A name="Texture"><H4><U>Texture</U> Parameters</H4></A> |
|---|
| 1622 | <A name="Atoms"><H4><U>Atom</U> Parameter<U>s</U></H4></A> |
|---|
| 1623 | <A name="Draw_Options"><H4><U>Draw Options</U></H4></A> |
|---|
| 1624 | <A name="Draw_Atoms"><H4><U>Draw Atoms</U></H4></A> |
|---|
| 1625 | |
|---|
| 1626 | </blockquote> |
|---|
| 1627 | |
|---|
| 1628 | <H3>Powder Histogram Windows</H3> |
|---|
| 1629 | When a powder diffraction data set (histogram) is selected from the |
|---|
| 1630 | <a href="#Data_tree">data tree</A>, a variety of subcategories in the |
|---|
| 1631 | tree are shown. The items that are shown depend on the data set type. |
|---|
| 1632 | Selecting a subcategory raises the window listed below. |
|---|
| 1633 | <blockquote> |
|---|
| 1634 | <A name=""><H4><U></U></H4></A> |
|---|
| 1635 | <A name="Comments"><H4><U>Comments</U></H4></A> |
|---|
| 1636 | |
|---|
| 1637 | <h4><a name=Background><span style='mso-fareast-font-family:"Times New Roman"'>Background</span></a><span |
|---|
| 1638 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1639 | |
|---|
| 1640 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1641 | window shows the choice of background function and coefficients to be used in |
|---|
| 1642 | fitting this powder pattern.<o:p></o:p></span></p> |
|---|
| 1643 | |
|---|
| 1644 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1645 | |
|---|
| 1646 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span |
|---|
| 1647 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1648 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1649 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 1650 | style='mso-bidi-font-weight:normal'>File</b>’ – <b |
|---|
| 1651 | style='mso-bidi-font-weight:normal'>Copy</b> – this copies the background |
|---|
| 1652 | parameters shown to other selected powder patterns. If used, a dialog box (Copy |
|---|
| 1653 | Parameters) will appear showing the list of available powder patterns, you can |
|---|
| 1654 | copy the background parameters to any or all of them; select ‘All’ |
|---|
| 1655 | to copy them to all patterns. Then select ‘OK’ to do the copy; |
|---|
| 1656 | ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> |
|---|
| 1657 | |
|---|
| 1658 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span |
|---|
| 1659 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1660 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1661 | style='mso-fareast-font-family:"Times New Roman"'>You can select a different |
|---|
| 1662 | Background function from the pull down tab.<o:p></o:p></span></p> |
|---|
| 1663 | |
|---|
| 1664 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span |
|---|
| 1665 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span |
|---|
| 1666 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1667 | style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not |
|---|
| 1668 | refine the background coefficients.<o:p></o:p></span></p> |
|---|
| 1669 | |
|---|
| 1670 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span |
|---|
| 1671 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span |
|---|
| 1672 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1673 | style='mso-fareast-font-family:"Times New Roman"'>You can select the number of |
|---|
| 1674 | background coefficients to be used (1-36).<o:p></o:p></span></p> |
|---|
| 1675 | |
|---|
| 1676 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo10'><![if !supportLists]><span |
|---|
| 1677 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span |
|---|
| 1678 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1679 | style='mso-fareast-font-family:"Times New Roman"'>You can change individual |
|---|
| 1680 | background coefficient values. Enter the value then press Enter or click the |
|---|
| 1681 | mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> |
|---|
| 1682 | |
|---|
| 1683 | <h4><a name="Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument |
|---|
| 1684 | Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1685 | |
|---|
| 1686 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1687 | window... <o:p></o:p></span></p> |
|---|
| 1688 | |
|---|
| 1689 | <h4><a name="Sample_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Sample |
|---|
| 1690 | Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1691 | |
|---|
| 1692 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1693 | window... <o:p></o:p></span></p> |
|---|
| 1694 | |
|---|
| 1695 | <h4><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: |
|---|
| 1696 | Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a><span |
|---|
| 1697 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1698 | |
|---|
| 1699 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1700 | window shows the list of peaks that will be used by the peak fitting refinement. |
|---|
| 1701 | It is filled by picking peaks in the powder pattern displayed in the GSASII |
|---|
| 1702 | Plots window as a sequence of ‘+’ marks. See <a |
|---|
| 1703 | href="#Powder_Patterns">Powder Patterns</a> below for details for what can be |
|---|
| 1704 | done on this plot.<o:p></o:p></span></p> |
|---|
| 1705 | |
|---|
| 1706 | <h4><a name="Index_Peaks"><span style='mso-fareast-font-family:"Times New Roman"'>Index |
|---|
| 1707 | Peak List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1708 | |
|---|
| 1709 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1710 | window shows the list of peaks that will be used for indexing (see </span><a |
|---|
| 1711 | href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit |
|---|
| 1712 | Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>). |
|---|
| 1713 | It must be filled before indexing can proceed. When indexing is completed, this |
|---|
| 1714 | display will show the resulting <span class=SpellE>hkl</span> values for every |
|---|
| 1715 | indexed reflection along with the calculated d-spacing (‘d-<span |
|---|
| 1716 | class=SpellE>calc</span>’) for the selected unit cell in </span><a |
|---|
| 1717 | href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit |
|---|
| 1718 | Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> |
|---|
| 1719 | |
|---|
| 1720 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1721 | |
|---|
| 1722 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l2 level1 lfo12'><![if !supportLists]><span |
|---|
| 1723 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1724 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1725 | style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b |
|---|
| 1726 | style='mso-bidi-font-weight:normal'>Operations</b>’ – <b |
|---|
| 1727 | style='mso-bidi-font-weight:normal'>Load/Reload</b> – loads the peak |
|---|
| 1728 | positions & intensities from the </span><a href="#Peak_List"><span |
|---|
| 1729 | style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span |
|---|
| 1730 | style='mso-fareast-font-family:"Times New Roman"'> to make them available for |
|---|
| 1731 | the indexing routine. The d-<span class=SpellE>obs</span> is obtained from |
|---|
| 1732 | Bragg’s Law after applying the Zero correction shown on the </span><a |
|---|
| 1733 | href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument |
|---|
| 1734 | Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1735 | table to the position shown here.<o:p></o:p></span></p> |
|---|
| 1736 | |
|---|
| 1737 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l2 level1 lfo12'><![if !supportLists]><span |
|---|
| 1738 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1739 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1740 | style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual |
|---|
| 1741 | peaks from indexing by <span class=SpellE>unchecking</span> the corresponding |
|---|
| 1742 | ‘use’ box.<o:p></o:p></span></p> |
|---|
| 1743 | |
|---|
| 1744 | <h4><a name="Cell_Indexing_Refine"><span style='mso-fareast-font-family:"Times New Roman"'>Unit |
|---|
| 1745 | Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1746 | |
|---|
| 1747 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1748 | window... <o:p></o:p></span></p> |
|---|
| 1749 | |
|---|
| 1750 | <h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection |
|---|
| 1751 | List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1752 | |
|---|
| 1753 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1754 | window... <o:p></o:p></span></p> |
|---|
| 1755 | |
|---|
| 1756 | </blockquote> |
|---|
| 1757 | |
|---|
| 1758 | <P><hr><hr> |
|---|
| 1759 | <h2><a name=Plots><span style='mso-fareast-font-family:"Times New |
|---|
| 1760 | Roman"'>3. GSAS-II |
|---|
| 1761 | Plots Window</span></a><span style='mso-bookmark:Plots'></span><span style='mso-fareast-font-family: |
|---|
| 1762 | "Times New Roman";font-weight:normal'> </span><span style='mso-fareast-font-family: |
|---|
| 1763 | "Times New Roman"'><o:p></o:p></span></h2> |
|---|
| 1764 | |
|---|
| 1765 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This |
|---|
| 1766 | window presents all the graphical material as a multipage tabbed set of plots |
|---|
| 1767 | utilizing the <span class=SpellE>matplotlib</span> python package. Each page |
|---|
| 1768 | has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p> |
|---|
| 1769 | |
|---|
| 1770 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"; |
|---|
| 1771 | mso-no-proof:yes'><img border=0 width=225 height=31 |
|---|
| 1772 | src="graphbar.jpg" align="middle"></span><span |
|---|
| 1773 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> |
|---|
| 1774 | |
|---|
| 1775 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These |
|---|
| 1776 | are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. The Pan option |
|---|
| 1777 | allows you to control panning across the plot (press left mouse button) and |
|---|
| 1778 | zooming (press right mouse button), the Zoom option allows you to select a |
|---|
| 1779 | portion of the plot (press right mouse button & drag for zoom box) for the |
|---|
| 1780 | next plot. The Save allows you to save the currently displayed plot in one of |
|---|
| 1781 | several graphical formats suitable for printing or insertion in a document. The |
|---|
| 1782 | Help icon is for access to this GSASII help.<o:p></o:p></span></p> |
|---|
| 1783 | |
|---|
| 1784 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below |
|---|
| 1785 | the toolbar may be a status bar that on the left may show either an instruction |
|---|
| 1786 | for a keyed input or a pull down selection of keyed input; on the right may be |
|---|
| 1787 | displayed position dependent information that is updated as the mouse is moved |
|---|
| 1788 | over the plot region.<o:p></o:p></span></p> |
|---|
| 1789 | |
|---|
| 1790 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 1791 | |
|---|
| 1792 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 1793 | specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p> |
|---|
| 1794 | |
|---|
| 1795 | <h4><a name="Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder |
|---|
| 1796 | Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1797 | |
|---|
| 1798 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 1799 | powder patterns that are part of your project are shown on this page. They can |
|---|
| 1800 | be displayed as a stack of powder patterns, just a single pattern or as a |
|---|
| 1801 | contour image of the peak intensities. What can be done here will depend on |
|---|
| 1802 | which is displayed and on which item in the GSAS-II data tree you have |
|---|
| 1803 | selected.<o:p></o:p></span></p> |
|---|
| 1804 | |
|---|
| 1805 | <h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span |
|---|
| 1806 | style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> |
|---|
| 1807 | |
|---|
| 1808 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The |
|---|
| 1809 | variance-covariance matrix as a color coded array is shown on this page. The |
|---|
| 1810 | color bar to the right shows the range of <span class=SpellE>covariances</span> |
|---|
| 1811 | (-1 to 1) and corresponding colors. The parameter names are to the right and |
|---|
| 1812 | the parameter numbers are below the plot.<o:p></o:p></span></p> |
|---|
| 1813 | |
|---|
| 1814 | <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> |
|---|
| 1815 | |
|---|
| 1816 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo14'><![if !supportLists]><span |
|---|
| 1817 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 1818 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move |
|---|
| 1819 | the mouse cursor across the plot. If on a diagonal cell, the parameter name, |
|---|
| 1820 | value and <span class=SpellE>esd</span> is shown both as a tool tip and in the |
|---|
| 1821 | right hand portion of the status bar. If the cursor is off the diagonal, the |
|---|
| 1822 | two parameter names and their covariance are shown in the tool tip and the |
|---|
| 1823 | status bar.</p> |
|---|
| 1824 | |
|---|
| 1825 | <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo14'><![if !supportLists]><span |
|---|
| 1826 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 1827 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span |
|---|
| 1828 | class=GramE>Type ‘s’</span> – A color scheme selection dialog |
|---|
| 1829 | is shown. Select a color scheme and press <span class=GramE>OK,</span> the new |
|---|
| 1830 | color scheme will be plotted. The default is ‘<span class=SpellE>RdYlGn</span>’.</p> |
|---|
| 1831 | |
|---|
| 1832 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 1833 | |
|---|
| 1834 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> |
|---|
| 1835 | |
|---|
| 1836 | <div class=MsoNormal align=center style='text-align:center'><span |
|---|
| 1837 | style='mso-fareast-font-family:"Times New Roman"'> |
|---|
| 1838 | |
|---|
| 1839 | <hr size=2 width="100%" align=center> |
|---|
| 1840 | |
|---|
| 1841 | </span></div> |
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| 1842 | |
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| 1843 | <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last |
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| 1844 | modified: Tue Nov 22 13:19:47 CST 2011 <o:p></o:p></span></p> |
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| 1845 | |
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| 1846 | <!-- hhmts end --></div> |
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| 1847 | |
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| 1848 | </body> |
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| 1849 | |
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| 1850 | </html> |
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