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|---|
| 310 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
|---|
| 311 | UnhideWhenUsed="false" Name="Colorful Grid Accent 5"/> |
|---|
| 312 | <w:LsdException Locked="false" Priority="60" SemiHidden="false" |
|---|
| 313 | UnhideWhenUsed="false" Name="Light Shading Accent 6"/> |
|---|
| 314 | <w:LsdException Locked="false" Priority="61" SemiHidden="false" |
|---|
| 315 | UnhideWhenUsed="false" Name="Light List Accent 6"/> |
|---|
| 316 | <w:LsdException Locked="false" Priority="62" SemiHidden="false" |
|---|
| 317 | UnhideWhenUsed="false" Name="Light Grid Accent 6"/> |
|---|
| 318 | <w:LsdException Locked="false" Priority="63" SemiHidden="false" |
|---|
| 319 | UnhideWhenUsed="false" Name="Medium Shading 1 Accent 6"/> |
|---|
| 320 | <w:LsdException Locked="false" Priority="64" SemiHidden="false" |
|---|
| 321 | UnhideWhenUsed="false" Name="Medium Shading 2 Accent 6"/> |
|---|
| 322 | <w:LsdException Locked="false" Priority="65" SemiHidden="false" |
|---|
| 323 | UnhideWhenUsed="false" Name="Medium List 1 Accent 6"/> |
|---|
| 324 | <w:LsdException Locked="false" Priority="66" SemiHidden="false" |
|---|
| 325 | UnhideWhenUsed="false" Name="Medium List 2 Accent 6"/> |
|---|
| 326 | <w:LsdException Locked="false" Priority="67" SemiHidden="false" |
|---|
| 327 | UnhideWhenUsed="false" Name="Medium Grid 1 Accent 6"/> |
|---|
| 328 | <w:LsdException Locked="false" Priority="68" SemiHidden="false" |
|---|
| 329 | UnhideWhenUsed="false" Name="Medium Grid 2 Accent 6"/> |
|---|
| 330 | <w:LsdException Locked="false" Priority="69" SemiHidden="false" |
|---|
| 331 | UnhideWhenUsed="false" Name="Medium Grid 3 Accent 6"/> |
|---|
| 332 | <w:LsdException Locked="false" Priority="70" SemiHidden="false" |
|---|
| 333 | UnhideWhenUsed="false" Name="Dark List Accent 6"/> |
|---|
| 334 | <w:LsdException Locked="false" Priority="71" SemiHidden="false" |
|---|
| 335 | UnhideWhenUsed="false" Name="Colorful Shading Accent 6"/> |
|---|
| 336 | <w:LsdException Locked="false" Priority="72" SemiHidden="false" |
|---|
| 337 | UnhideWhenUsed="false" Name="Colorful List Accent 6"/> |
|---|
| 338 | <w:LsdException Locked="false" Priority="73" SemiHidden="false" |
|---|
| 339 | UnhideWhenUsed="false" Name="Colorful Grid Accent 6"/> |
|---|
| 340 | <w:LsdException Locked="false" Priority="19" SemiHidden="false" |
|---|
| 341 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Emphasis"/> |
|---|
| 342 | <w:LsdException Locked="false" Priority="21" SemiHidden="false" |
|---|
| 343 | UnhideWhenUsed="false" QFormat="true" Name="Intense Emphasis"/> |
|---|
| 344 | <w:LsdException Locked="false" Priority="31" SemiHidden="false" |
|---|
| 345 | UnhideWhenUsed="false" QFormat="true" Name="Subtle Reference"/> |
|---|
| 346 | <w:LsdException Locked="false" Priority="32" SemiHidden="false" |
|---|
| 347 | UnhideWhenUsed="false" QFormat="true" Name="Intense Reference"/> |
|---|
| 348 | <w:LsdException Locked="false" Priority="33" SemiHidden="false" |
|---|
| 349 | UnhideWhenUsed="false" QFormat="true" Name="Book Title"/> |
|---|
| 350 | <w:LsdException Locked="false" Priority="37" Name="Bibliography"/> |
|---|
| 351 | <w:LsdException Locked="false" Priority="39" QFormat="true" Name="TOC Heading"/> |
|---|
| 352 | </w:LatentStyles> |
|---|
| 353 | </xml><![endif]--> |
|---|
| 354 | <style> |
|---|
| 355 | <!-- |
|---|
| 356 | /* Font Definitions */ |
|---|
| 357 | @font-face |
|---|
| 358 | {font-family:"Courier New"; |
|---|
| 359 | panose-1:2 7 3 9 2 2 5 2 4 4; |
|---|
| 360 | mso-font-charset:0; |
|---|
| 361 | mso-generic-font-family:auto; |
|---|
| 362 | mso-font-pitch:variable; |
|---|
| 363 | mso-font-signature:-536859905 -1073711037 9 0 511 0;} |
|---|
| 364 | @font-face |
|---|
| 365 | {font-family:Wingdings; |
|---|
| 366 | panose-1:2 0 5 0 0 0 0 0 0 0; |
|---|
| 367 | mso-font-charset:2; |
|---|
| 368 | mso-generic-font-family:auto; |
|---|
| 369 | mso-font-pitch:variable; |
|---|
| 370 | mso-font-signature:0 268435456 0 0 -2147483648 0;} |
|---|
| 371 | @font-face |
|---|
| 372 | {font-family:"\FF2D\FF33 \660E\671D"; |
|---|
| 373 | mso-font-charset:78; |
|---|
| 374 | mso-generic-font-family:auto; |
|---|
| 375 | mso-font-pitch:variable; |
|---|
| 376 | mso-font-signature:-536870145 1791491579 18 0 131231 0;} |
|---|
| 377 | @font-face |
|---|
| 378 | {font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 379 | mso-font-charset:78; |
|---|
| 380 | mso-generic-font-family:auto; |
|---|
| 381 | mso-font-pitch:variable; |
|---|
| 382 | mso-font-signature:-536870145 1791491579 18 0 131231 0;} |
|---|
| 383 | @font-face |
|---|
| 384 | {font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 385 | mso-font-charset:78; |
|---|
| 386 | mso-generic-font-family:auto; |
|---|
| 387 | mso-font-pitch:variable; |
|---|
| 388 | mso-font-signature:-536870145 1791491579 18 0 131231 0;} |
|---|
| 389 | @font-face |
|---|
| 390 | {font-family:Calibri; |
|---|
| 391 | panose-1:2 15 5 2 2 2 4 3 2 4; |
|---|
| 392 | mso-font-charset:0; |
|---|
| 393 | mso-generic-font-family:auto; |
|---|
| 394 | mso-font-pitch:variable; |
|---|
| 395 | mso-font-signature:-520092929 1073786111 9 0 415 0;} |
|---|
| 396 | @font-face |
|---|
| 397 | {font-family:Cambria; |
|---|
| 398 | panose-1:2 4 5 3 5 4 6 3 2 4; |
|---|
| 399 | mso-font-charset:0; |
|---|
| 400 | mso-generic-font-family:auto; |
|---|
| 401 | mso-font-pitch:variable; |
|---|
| 402 | mso-font-signature:-536870145 1073743103 0 0 415 0;} |
|---|
| 403 | @font-face |
|---|
| 404 | {font-family:"Lucida Grande"; |
|---|
| 405 | panose-1:2 11 6 0 4 5 2 2 2 4; |
|---|
| 406 | mso-font-charset:0; |
|---|
| 407 | mso-generic-font-family:auto; |
|---|
| 408 | mso-font-pitch:variable; |
|---|
| 409 | mso-font-signature:-520090897 1342218751 0 0 447 0;} |
|---|
| 410 | @font-face |
|---|
| 411 | {font-family:"Menlo Regular"; |
|---|
| 412 | panose-1:2 11 6 9 3 8 4 2 2 4; |
|---|
| 413 | mso-font-charset:0; |
|---|
| 414 | mso-generic-font-family:auto; |
|---|
| 415 | mso-font-pitch:variable; |
|---|
| 416 | mso-font-signature:-436198657 -771687941 33554472 0 479 0;} |
|---|
| 417 | /* Style Definitions */ |
|---|
| 418 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
|---|
| 419 | {mso-style-unhide:no; |
|---|
| 420 | mso-style-qformat:yes; |
|---|
| 421 | mso-style-parent:""; |
|---|
| 422 | margin:0in; |
|---|
| 423 | margin-bottom:.0001pt; |
|---|
| 424 | mso-pagination:widow-orphan; |
|---|
| 425 | font-size:12.0pt; |
|---|
| 426 | font-family:Cambria; |
|---|
| 427 | mso-fareast-font-family:"\FF2D\FF33 \660E\671D"; |
|---|
| 428 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 429 | mso-fareast-language:JA;} |
|---|
| 430 | h1 |
|---|
| 431 | {mso-style-priority:9; |
|---|
| 432 | mso-style-unhide:no; |
|---|
| 433 | mso-style-qformat:yes; |
|---|
| 434 | mso-style-link:"Heading 1 Char"; |
|---|
| 435 | mso-style-next:Normal; |
|---|
| 436 | margin-top:24.0pt; |
|---|
| 437 | margin-right:0in; |
|---|
| 438 | margin-bottom:0in; |
|---|
| 439 | margin-left:0in; |
|---|
| 440 | margin-bottom:.0001pt; |
|---|
| 441 | mso-pagination:widow-orphan lines-together; |
|---|
| 442 | page-break-after:avoid; |
|---|
| 443 | mso-outline-level:1; |
|---|
| 444 | font-size:16.0pt; |
|---|
| 445 | font-family:Calibri; |
|---|
| 446 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 447 | color:#345A8A; |
|---|
| 448 | mso-font-kerning:0pt; |
|---|
| 449 | mso-fareast-language:JA;} |
|---|
| 450 | h2 |
|---|
| 451 | {mso-style-priority:9; |
|---|
| 452 | mso-style-qformat:yes; |
|---|
| 453 | mso-style-link:"Heading 2 Char"; |
|---|
| 454 | mso-style-next:Normal; |
|---|
| 455 | margin-top:10.0pt; |
|---|
| 456 | margin-right:0in; |
|---|
| 457 | margin-bottom:0in; |
|---|
| 458 | margin-left:0in; |
|---|
| 459 | margin-bottom:.0001pt; |
|---|
| 460 | mso-pagination:widow-orphan lines-together; |
|---|
| 461 | page-break-after:avoid; |
|---|
| 462 | mso-outline-level:2; |
|---|
| 463 | font-size:13.0pt; |
|---|
| 464 | font-family:Calibri; |
|---|
| 465 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 466 | color:#4F81BD; |
|---|
| 467 | mso-fareast-language:JA;} |
|---|
| 468 | h3 |
|---|
| 469 | {mso-style-priority:9; |
|---|
| 470 | mso-style-qformat:yes; |
|---|
| 471 | mso-style-link:"Heading 3 Char"; |
|---|
| 472 | mso-style-next:Normal; |
|---|
| 473 | margin-top:10.0pt; |
|---|
| 474 | margin-right:0in; |
|---|
| 475 | margin-bottom:0in; |
|---|
| 476 | margin-left:0in; |
|---|
| 477 | margin-bottom:.0001pt; |
|---|
| 478 | mso-pagination:widow-orphan lines-together; |
|---|
| 479 | page-break-after:avoid; |
|---|
| 480 | mso-outline-level:3; |
|---|
| 481 | font-size:12.0pt; |
|---|
| 482 | font-family:Calibri; |
|---|
| 483 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 484 | color:#4F81BD; |
|---|
| 485 | mso-fareast-language:JA;} |
|---|
| 486 | a:link, span.MsoHyperlink |
|---|
| 487 | {mso-style-priority:99; |
|---|
| 488 | color:blue; |
|---|
| 489 | mso-themecolor:hyperlink; |
|---|
| 490 | text-decoration:underline; |
|---|
| 491 | text-underline:single;} |
|---|
| 492 | a:visited, span.MsoHyperlinkFollowed |
|---|
| 493 | {mso-style-noshow:yes; |
|---|
| 494 | mso-style-priority:99; |
|---|
| 495 | color:purple; |
|---|
| 496 | mso-themecolor:followedhyperlink; |
|---|
| 497 | text-decoration:underline; |
|---|
| 498 | text-underline:single;} |
|---|
| 499 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
|---|
| 500 | {mso-style-noshow:yes; |
|---|
| 501 | mso-style-priority:99; |
|---|
| 502 | mso-style-link:"Balloon Text Char"; |
|---|
| 503 | margin:0in; |
|---|
| 504 | margin-bottom:.0001pt; |
|---|
| 505 | mso-pagination:widow-orphan; |
|---|
| 506 | font-size:9.0pt; |
|---|
| 507 | font-family:"Lucida Grande"; |
|---|
| 508 | mso-fareast-font-family:"\FF2D\FF33 \660E\671D"; |
|---|
| 509 | mso-fareast-language:JA;} |
|---|
| 510 | span.BalloonTextChar |
|---|
| 511 | {mso-style-name:"Balloon Text Char"; |
|---|
| 512 | mso-style-noshow:yes; |
|---|
| 513 | mso-style-priority:99; |
|---|
| 514 | mso-style-unhide:no; |
|---|
| 515 | mso-style-locked:yes; |
|---|
| 516 | mso-style-parent:""; |
|---|
| 517 | mso-style-link:"Balloon Text"; |
|---|
| 518 | mso-ansi-font-size:9.0pt; |
|---|
| 519 | mso-bidi-font-size:9.0pt; |
|---|
| 520 | font-family:"Lucida Grande"; |
|---|
| 521 | mso-ascii-font-family:"Lucida Grande"; |
|---|
| 522 | mso-hansi-font-family:"Lucida Grande"; |
|---|
| 523 | mso-bidi-font-family:"Lucida Grande";} |
|---|
| 524 | span.Heading1Char |
|---|
| 525 | {mso-style-name:"Heading 1 Char"; |
|---|
| 526 | mso-style-priority:9; |
|---|
| 527 | mso-style-unhide:no; |
|---|
| 528 | mso-style-locked:yes; |
|---|
| 529 | mso-style-parent:""; |
|---|
| 530 | mso-style-link:"Heading 1"; |
|---|
| 531 | mso-ansi-font-size:16.0pt; |
|---|
| 532 | mso-bidi-font-size:16.0pt; |
|---|
| 533 | font-family:Calibri; |
|---|
| 534 | mso-ascii-font-family:Calibri; |
|---|
| 535 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 536 | mso-hansi-font-family:Calibri; |
|---|
| 537 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 538 | color:#345A8A; |
|---|
| 539 | font-weight:bold;} |
|---|
| 540 | span.Heading2Char |
|---|
| 541 | {mso-style-name:"Heading 2 Char"; |
|---|
| 542 | mso-style-priority:9; |
|---|
| 543 | mso-style-unhide:no; |
|---|
| 544 | mso-style-locked:yes; |
|---|
| 545 | mso-style-parent:""; |
|---|
| 546 | mso-style-link:"Heading 2"; |
|---|
| 547 | mso-ansi-font-size:13.0pt; |
|---|
| 548 | mso-bidi-font-size:13.0pt; |
|---|
| 549 | font-family:Calibri; |
|---|
| 550 | mso-ascii-font-family:Calibri; |
|---|
| 551 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 552 | mso-hansi-font-family:Calibri; |
|---|
| 553 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 554 | color:#4F81BD; |
|---|
| 555 | font-weight:bold;} |
|---|
| 556 | span.Heading3Char |
|---|
| 557 | {mso-style-name:"Heading 3 Char"; |
|---|
| 558 | mso-style-priority:9; |
|---|
| 559 | mso-style-unhide:no; |
|---|
| 560 | mso-style-locked:yes; |
|---|
| 561 | mso-style-parent:""; |
|---|
| 562 | mso-style-link:"Heading 3"; |
|---|
| 563 | font-family:Calibri; |
|---|
| 564 | mso-ascii-font-family:Calibri; |
|---|
| 565 | mso-fareast-font-family:"\FF2D\FF33 \30B4\30B7\30C3\30AF"; |
|---|
| 566 | mso-hansi-font-family:Calibri; |
|---|
| 567 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 568 | color:#4F81BD; |
|---|
| 569 | font-weight:bold;} |
|---|
| 570 | span.SpellE |
|---|
| 571 | {mso-style-name:""; |
|---|
| 572 | mso-spl-e:yes;} |
|---|
| 573 | span.GramE |
|---|
| 574 | {mso-style-name:""; |
|---|
| 575 | mso-gram-e:yes;} |
|---|
| 576 | .MsoChpDefault |
|---|
| 577 | {mso-style-type:export-only; |
|---|
| 578 | mso-default-props:yes; |
|---|
| 579 | mso-ascii-font-family:Cambria; |
|---|
| 580 | mso-fareast-font-family:"\FF2D\FF33 \660E\671D"; |
|---|
| 581 | mso-hansi-font-family:Cambria;} |
|---|
| 582 | @page WordSection1 |
|---|
| 583 | {size:8.5in 11.0in; |
|---|
| 584 | margin:1.0in 1.25in 1.0in 1.25in; |
|---|
| 585 | mso-header-margin:.5in; |
|---|
| 586 | mso-footer-margin:.5in; |
|---|
| 587 | mso-paper-source:0;} |
|---|
| 588 | div.WordSection1 |
|---|
| 589 | {page:WordSection1;} |
|---|
| 590 | /* List Definitions */ |
|---|
| 591 | @list l0 |
|---|
| 592 | {mso-list-id:1362169705; |
|---|
| 593 | mso-list-type:hybrid; |
|---|
| 594 | mso-list-template-ids:-537886596 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;} |
|---|
| 595 | @list l0:level1 |
|---|
| 596 | {mso-level-number-format:bullet; |
|---|
| 597 | mso-level-text:\F0B7; |
|---|
| 598 | mso-level-tab-stop:none; |
|---|
| 599 | mso-level-number-position:left; |
|---|
| 600 | text-indent:-.25in; |
|---|
| 601 | font-family:Symbol;} |
|---|
| 602 | @list l0:level2 |
|---|
| 603 | {mso-level-number-format:bullet; |
|---|
| 604 | mso-level-text:o; |
|---|
| 605 | mso-level-tab-stop:none; |
|---|
| 606 | mso-level-number-position:left; |
|---|
| 607 | text-indent:-.25in; |
|---|
| 608 | font-family:"Courier New"; |
|---|
| 609 | mso-bidi-font-family:"Times New Roman";} |
|---|
| 610 | @list l0:level3 |
|---|
| 611 | {mso-level-number-format:bullet; |
|---|
| 612 | mso-level-text:\F0A7; |
|---|
| 613 | mso-level-tab-stop:none; |
|---|
| 614 | mso-level-number-position:left; |
|---|
| 615 | text-indent:-.25in; |
|---|
| 616 | font-family:Wingdings;} |
|---|
| 617 | @list l0:level4 |
|---|
| 618 | {mso-level-number-format:bullet; |
|---|
| 619 | mso-level-text:\F0B7; |
|---|
| 620 | mso-level-tab-stop:none; |
|---|
| 621 | mso-level-number-position:left; |
|---|
| 622 | text-indent:-.25in; |
|---|
| 623 | font-family:Symbol;} |
|---|
| 624 | @list l0:level5 |
|---|
| 625 | {mso-level-number-format:bullet; |
|---|
| 626 | mso-level-text:o; |
|---|
| 627 | mso-level-tab-stop:none; |
|---|
| 628 | mso-level-number-position:left; |
|---|
| 629 | text-indent:-.25in; |
|---|
| 630 | font-family:"Courier New"; |
|---|
| 631 | mso-bidi-font-family:"Times New Roman";} |
|---|
| 632 | @list l0:level6 |
|---|
| 633 | {mso-level-number-format:bullet; |
|---|
| 634 | mso-level-text:\F0A7; |
|---|
| 635 | mso-level-tab-stop:none; |
|---|
| 636 | mso-level-number-position:left; |
|---|
| 637 | text-indent:-.25in; |
|---|
| 638 | font-family:Wingdings;} |
|---|
| 639 | @list l0:level7 |
|---|
| 640 | {mso-level-number-format:bullet; |
|---|
| 641 | mso-level-text:\F0B7; |
|---|
| 642 | mso-level-tab-stop:none; |
|---|
| 643 | mso-level-number-position:left; |
|---|
| 644 | text-indent:-.25in; |
|---|
| 645 | font-family:Symbol;} |
|---|
| 646 | @list l0:level8 |
|---|
| 647 | {mso-level-number-format:bullet; |
|---|
| 648 | mso-level-text:o; |
|---|
| 649 | mso-level-tab-stop:none; |
|---|
| 650 | mso-level-number-position:left; |
|---|
| 651 | text-indent:-.25in; |
|---|
| 652 | font-family:"Courier New"; |
|---|
| 653 | mso-bidi-font-family:"Times New Roman";} |
|---|
| 654 | @list l0:level9 |
|---|
| 655 | {mso-level-number-format:bullet; |
|---|
| 656 | mso-level-text:\F0A7; |
|---|
| 657 | mso-level-tab-stop:none; |
|---|
| 658 | mso-level-number-position:left; |
|---|
| 659 | text-indent:-.25in; |
|---|
| 660 | font-family:Wingdings;} |
|---|
| 661 | ol |
|---|
| 662 | {margin-bottom:0in;} |
|---|
| 663 | ul |
|---|
| 664 | {margin-bottom:0in;} |
|---|
| 665 | --> |
|---|
| 666 | </style> |
|---|
| 667 | <!--[if gte mso 10]> |
|---|
| 668 | <style> |
|---|
| 669 | /* Style Definitions */ |
|---|
| 670 | table.MsoNormalTable |
|---|
| 671 | {mso-style-name:"Table Normal"; |
|---|
| 672 | mso-tstyle-rowband-size:0; |
|---|
| 673 | mso-tstyle-colband-size:0; |
|---|
| 674 | mso-style-noshow:yes; |
|---|
| 675 | mso-style-priority:99; |
|---|
| 676 | mso-style-parent:""; |
|---|
| 677 | mso-padding-alt:0in 5.4pt 0in 5.4pt; |
|---|
| 678 | mso-para-margin:0in; |
|---|
| 679 | mso-para-margin-bottom:.0001pt; |
|---|
| 680 | mso-pagination:widow-orphan; |
|---|
| 681 | font-size:10.0pt; |
|---|
| 682 | font-family:Cambria;} |
|---|
| 683 | </style> |
|---|
| 684 | <![endif]--><!--[if gte mso 9]><xml> |
|---|
| 685 | <o:shapedefaults v:ext="edit" spidmax="2050"/> |
|---|
| 686 | </xml><![endif]--><!--[if gte mso 9]><xml> |
|---|
| 687 | <o:shapelayout v:ext="edit"> |
|---|
| 688 | <o:idmap v:ext="edit" data="1"/> |
|---|
| 689 | </o:shapelayout></xml><![endif]--> |
|---|
| 690 | </head> |
|---|
| 691 | |
|---|
| 692 | <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in'> |
|---|
| 693 | |
|---|
| 694 | <div class=WordSection1> |
|---|
| 695 | |
|---|
| 696 | <h1>Determining Profile Parameters from a Standard</h1> |
|---|
| 697 | |
|---|
| 698 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 699 | |
|---|
| 700 | <p class=MsoNormal><span style='font-size:14.0pt'>The goal of this exercise is |
|---|
| 701 | to determine approximate instrument profile parameters by a quick peak fit to a |
|---|
| 702 | sample with a lab diffractometer. Ideally, one should use a material or mixture |
|---|
| 703 | of materials that has peaks over the entire range where you collect data and |
|---|
| 704 | use a material(s) that have negligible sample broadening (from crystallite size |
|---|
| 705 | or <span class=SpellE>microstrain</span>). The NIST LaB<sub>6</sub> standards |
|---|
| 706 | (SRM 660, 660a and 660b) are good choices for this, as it has very little |
|---|
| 707 | sample broadening and a relatively small number of peaks over a wide angular |
|---|
| 708 | range, although it would be good to have peaks starting somewhat lower in |
|---|
| 709 | 2theta. <o:p></o:p></span></p> |
|---|
| 710 | |
|---|
| 711 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 712 | |
|---|
| 713 | <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span |
|---|
| 714 | style='font-size:14.0pt'>Note</span></b><span style='font-size:14.0pt'> that it |
|---|
| 715 | is highly recommended to collect reference data to a much higher 2theta angle |
|---|
| 716 | than here. What is done here serves as an example, and is sufficient only if |
|---|
| 717 | one will never collect and use data above 70 degrees (unlikely!). <o:p></o:p></span></p> |
|---|
| 718 | |
|---|
| 719 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 720 | |
|---|
| 721 | <p class=MsoNormal><span style='font-size:14.0pt'>To get started, create a new |
|---|
| 722 | project in GSAS-II, either by starting the program fresh or using <b |
|---|
| 723 | style='mso-bidi-font-weight:normal'>File/New Project</b>. <o:p></o:p></span></p> |
|---|
| 724 | |
|---|
| 725 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 726 | |
|---|
| 727 | <p class=MsoNormal><span class=Heading3Char><span style='font-size:14.0pt'>Step |
|---|
| 728 | 1: Read in the Diffraction Data</span></span><span style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 729 | |
|---|
| 730 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 731 | |
|---|
| 732 | <p class=MsoNormal style='mso-pagination:none;tab-stops:28.0pt 56.0pt 84.0pt 112.0pt 140.0pt 168.0pt 196.0pt 224.0pt 3.5in 280.0pt 308.0pt 336.0pt; |
|---|
| 733 | mso-layout-grid-align:none;text-autospace:none'><span style='font-size:14.0pt'>Use |
|---|
| 734 | <b style='mso-bidi-font-weight:normal'>Import/Powder Data/from <span |
|---|
| 735 | class=SpellE>Brucker</span> RAW file</b> to read </span><span style='font-size: |
|---|
| 736 | 14.0pt;font-family:Courier'>file </span><span style='font-size:14.0pt; |
|---|
| 737 | font-family:Courier;mso-bidi-font-family:"Menlo Regular";color:black; |
|---|
| 738 | mso-fareast-language:EN-US'>LaB6_Jan2018.raw</span><span style='font-size:14.0pt; |
|---|
| 739 | font-family:"Menlo Regular";color:black;mso-fareast-language:EN-US'> </span><span |
|---|
| 740 | style='font-size:14.0pt'>from the Tutorials <span class=SpellE>CWInstDemo</span>/data |
|---|
| 741 | directory (download from <a |
|---|
| 742 | href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/">https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data/</a>). |
|---|
| 743 | After selecting this file, answer yes to ÒIs this the file you want?Ó<o:p></o:p></span></p> |
|---|
| 744 | |
|---|
| 745 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 746 | |
|---|
| 747 | <h3><span style='font-size:14.0pt'>Step 2: Select Default Instrument Parameters<o:p></o:p></span></h3> |
|---|
| 748 | |
|---|
| 749 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 750 | |
|---|
| 751 | <p class=MsoNormal><span style='font-size:14.0pt'>The next dialog to appear is |
|---|
| 752 | titled, ÒChoose inst. <span class=SpellE>Param</span> file for LaB6_Jan2018.raw |
|---|
| 753 | Scan 1 (or Cancel for default)Ó since we do not have a set of parameters to |
|---|
| 754 | read, we must use a default set. <b style='mso-bidi-font-weight:normal'>Press |
|---|
| 755 | Cancel</b>.<o:p></o:p></span></p> |
|---|
| 756 | |
|---|
| 757 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 758 | |
|---|
| 759 | <p class=MsoNormal><span style='font-size:14.0pt'>This raises the default <span |
|---|
| 760 | class=SpellE>inst</span> <span class=SpellE>parms</span> dialog, as below<o:p></o:p></span></p> |
|---|
| 761 | |
|---|
| 762 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 763 | mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype id="_x0000_t75" coordsize="21600,21600" |
|---|
| 764 | o:spt="75" o:preferrelative="t" path="m@4@5l@4@11@9@11@9@5xe" filled="f" |
|---|
| 765 | stroked="f"> |
|---|
| 766 | <v:stroke joinstyle="miter"/> |
|---|
| 767 | <v:formulas> |
|---|
| 768 | <v:f eqn="if lineDrawn pixelLineWidth 0"/> |
|---|
| 769 | <v:f eqn="sum @0 1 0"/> |
|---|
| 770 | <v:f eqn="sum 0 0 @1"/> |
|---|
| 771 | <v:f eqn="prod @2 1 2"/> |
|---|
| 772 | <v:f eqn="prod @3 21600 pixelWidth"/> |
|---|
| 773 | <v:f eqn="prod @3 21600 pixelHeight"/> |
|---|
| 774 | <v:f eqn="sum @0 0 1"/> |
|---|
| 775 | <v:f eqn="prod @6 1 2"/> |
|---|
| 776 | <v:f eqn="prod @7 21600 pixelWidth"/> |
|---|
| 777 | <v:f eqn="sum @8 21600 0"/> |
|---|
| 778 | <v:f eqn="prod @7 21600 pixelHeight"/> |
|---|
| 779 | <v:f eqn="sum @10 21600 0"/> |
|---|
| 780 | </v:formulas> |
|---|
| 781 | <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> |
|---|
| 782 | <o:lock v:ext="edit" aspectratio="t"/> |
|---|
| 783 | </v:shapetype><v:shape id="Picture_x0020_1" o:spid="_x0000_i1025" type="#_x0000_t75" |
|---|
| 784 | style='width:390pt;height:207pt;visibility:visible'> |
|---|
| 785 | <v:imagedata src="FindProfParamCW_files/image001.png" o:title=""/> |
|---|
| 786 | </v:shape><![endif]--><![if !vml]><img border=0 width=392 height=209 |
|---|
| 787 | src="FindProfParamCW_files/image002.png" v:shapes="Picture_x0020_1"><![endif]></span><span |
|---|
| 788 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 789 | |
|---|
| 790 | <p class=MsoNormal><span style='font-size:14.0pt'>Here, <b style='mso-bidi-font-weight: |
|---|
| 791 | normal'>choose the first option</b> for <span class=SpellE>CuKa</span> lab data |
|---|
| 792 | (which is for a standard instrument with Kalpha1 and Kalpha2 radiation) and <b |
|---|
| 793 | style='mso-bidi-font-weight:normal'>press OK</b>. A plot of the data will |
|---|
| 794 | appear as below.<o:p></o:p></span></p> |
|---|
| 795 | |
|---|
| 796 | <p class=MsoNormal><span style='font-size:14.0pt'><span |
|---|
| 797 | style="mso-spacerun:yes"> </span></span><span style='font-size:14.0pt; |
|---|
| 798 | mso-fareast-language:EN-US;mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_2" |
|---|
| 799 | o:spid="_x0000_i1026" type="#_x0000_t75" style='width:310pt;height:229pt; |
|---|
| 800 | visibility:visible'> |
|---|
| 801 | <v:imagedata src="FindProfParamCW_files/image003.png" o:title=""/> |
|---|
| 802 | </v:shape><![endif]--><![if !vml]><img border=0 width=312 height=231 |
|---|
| 803 | src="FindProfParamCW_files/image004.png" v:shapes="Picture_x0020_2"><![endif]></span><span |
|---|
| 804 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 805 | |
|---|
| 806 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 807 | |
|---|
| 808 | <p class=MsoNormal><span class=Heading3Char><span style='font-size:14.0pt'>Step |
|---|
| 809 | 3: Change Data Range</span></span><span style='font-size:14.0pt'>. <o:p></o:p></span></p> |
|---|
| 810 | |
|---|
| 811 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 812 | |
|---|
| 813 | <p class=MsoNormal><span style='font-size:14.0pt'>Note that the data begins at |
|---|
| 814 | 10 degrees, but the first peak is above 21 degrees, we can simplify the |
|---|
| 815 | background fitting by changing the data limits. <b style='mso-bidi-font-weight: |
|---|
| 816 | normal'>Click on the Limits</b> data tree item, and either change the <span |
|---|
| 817 | class=SpellE>Tmin</span> value from 10 to 20 or in the plot <b |
|---|
| 818 | style='mso-bidi-font-weight:normal'>ÒdragÓ the green line to the right</b> to approximately |
|---|
| 819 | 20 degrees. <o:p></o:p></span></p> |
|---|
| 820 | |
|---|
| 821 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 822 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_3" o:spid="_x0000_i1027" |
|---|
| 823 | type="#_x0000_t75" style='width:310pt;height:222pt;visibility:visible'> |
|---|
| 824 | <v:imagedata src="FindProfParamCW_files/image005.png" o:title=""/> |
|---|
| 825 | </v:shape><![endif]--><![if !vml]><img border=0 width=312 height=224 |
|---|
| 826 | src="FindProfParamCW_files/image006.png" v:shapes="Picture_x0020_3"><![endif]></span><span |
|---|
| 827 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 828 | |
|---|
| 829 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 830 | |
|---|
| 831 | <h3><span style='font-size:14.0pt'>Step 4: Add Peaks to Fit<o:p></o:p></span></h3> |
|---|
| 832 | |
|---|
| 833 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 834 | |
|---|
| 835 | <p class=MsoNormal><span style='font-size:14.0pt'>To define peaks, <b |
|---|
| 836 | style='mso-bidi-font-weight:normal'>click on the ÒPeak List</b>Ó data tree item. |
|---|
| 837 | Note that as below, the peak list is initially empty. <o:p></o:p></span></p> |
|---|
| 838 | |
|---|
| 839 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 840 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_4" o:spid="_x0000_i1028" |
|---|
| 841 | type="#_x0000_t75" style='width:370pt;height:238pt;visibility:visible'> |
|---|
| 842 | <v:imagedata src="FindProfParamCW_files/image007.png" o:title=""/> |
|---|
| 843 | </v:shape><![endif]--><![if !vml]><img border=0 width=372 height=240 |
|---|
| 844 | src="FindProfParamCW_files/image008.png" v:shapes="Picture_x0020_4"><![endif]></span><span |
|---|
| 845 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 846 | |
|---|
| 847 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 848 | |
|---|
| 849 | <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span |
|---|
| 850 | style='font-size:14.0pt'>Move</span></b><span style='font-size:14.0pt'> the |
|---|
| 851 | mouse to any of the data points close to the <b style='mso-bidi-font-weight: |
|---|
| 852 | normal'>top of the first peak and click </b>the left mouse button. A line will |
|---|
| 853 | be drawn through the peak and the position will be added to the peak table and |
|---|
| 854 | a line marking this is added to the plot, as below. <o:p></o:p></span></p> |
|---|
| 855 | |
|---|
| 856 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 857 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" o:spid="_x0000_i1029" |
|---|
| 858 | type="#_x0000_t75" style='width:319pt;height:267pt;visibility:visible'> |
|---|
| 859 | <v:imagedata src="FindProfParamCW_files/image009.png" o:title=""/> |
|---|
| 860 | </v:shape><![endif]--><![if !vml]><img border=0 width=321 height=269 |
|---|
| 861 | src="FindProfParamCW_files/image010.png" v:shapes="Picture_x0020_5"><![endif]></span><span |
|---|
| 862 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 863 | |
|---|
| 864 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 865 | |
|---|
| 866 | <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span |
|---|
| 867 | style='font-size:14.0pt'>Repeat this for all 8 peaks</span></b><span |
|---|
| 868 | style='font-size:14.0pt'> in the pattern. Note that if a peak is entered in the |
|---|
| 869 | wrong place <span class=GramE>it can be moved by ÒdraggingÓ it with the mouse</span>, |
|---|
| 870 | or use a right-click to delete it. Be careful to make sure two peaks are not entered |
|---|
| 871 | in the same place by accident<span class=GramE>,.</span><o:p></o:p></span></p> |
|---|
| 872 | |
|---|
| 873 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 874 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_6" o:spid="_x0000_i1030" |
|---|
| 875 | type="#_x0000_t75" style='width:333pt;height:251pt;visibility:visible'> |
|---|
| 876 | <v:imagedata src="FindProfParamCW_files/image011.png" o:title=""/> |
|---|
| 877 | </v:shape><![endif]--><![if !vml]><img border=0 width=335 height=253 |
|---|
| 878 | src="FindProfParamCW_files/image012.png" v:shapes="Picture_x0020_6"><![endif]><o:p></o:p></span></p> |
|---|
| 879 | |
|---|
| 880 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 881 | mso-no-proof:yes'>The peak table appears as:</span><span style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 882 | |
|---|
| 883 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 884 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_7" o:spid="_x0000_i1031" |
|---|
| 885 | type="#_x0000_t75" style='width:523pt;height:218pt;visibility:visible'> |
|---|
| 886 | <v:imagedata src="FindProfParamCW_files/image013.png" o:title=""/> |
|---|
| 887 | </v:shape><![endif]--><![if !vml]><img border=0 width=525 height=220 |
|---|
| 888 | src="FindProfParamCW_files/image014.png" v:shapes="Picture_x0020_7"><![endif]></span><span |
|---|
| 889 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 890 | |
|---|
| 891 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 892 | |
|---|
| 893 | <h3><span style='font-size:14.0pt'>Step 5: Refine Peak Areas<o:p></o:p></span></h3> |
|---|
| 894 | |
|---|
| 895 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 896 | |
|---|
| 897 | <p class=MsoNormal><span style='font-size:14.0pt'>By default, the peak |
|---|
| 898 | intensities <span class=GramE>are flagged as to be varied</span>, but not any |
|---|
| 899 | of the other parameters. It is wise to refine them all, but we want to make |
|---|
| 900 | sure the parameters have a chance to converge one step at a time and we should |
|---|
| 901 | start with only the intensities.<span style="mso-spacerun:yes"> |
|---|
| 902 | </span>Use the <b style='mso-bidi-font-weight:normal'>Peak Fitting/<span |
|---|
| 903 | class=SpellE>Peakfit</span></b> menu item to perform a peak refinement. You |
|---|
| 904 | will be asked for a name to save the project (enter a name such as <span |
|---|
| 905 | class=SpellE>peakfit.gpx</span> and press Save). The peaks are then fit, here |
|---|
| 906 | optimizing only the intensity values. The console window shows the details of |
|---|
| 907 | the refinement:<o:p></o:p></span></p> |
|---|
| 908 | |
|---|
| 909 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 910 | |
|---|
| 911 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 912 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_8" o:spid="_x0000_i1032" |
|---|
| 913 | type="#_x0000_t75" style='width:475pt;height:178pt;visibility:visible'> |
|---|
| 914 | <v:imagedata src="FindProfParamCW_files/image015.png" o:title=""/> |
|---|
| 915 | </v:shape><![endif]--><![if !vml]><img border=0 width=477 height=180 |
|---|
| 916 | src="FindProfParamCW_files/image016.png" v:shapes="Picture_x0020_8"><![endif]></span><span |
|---|
| 917 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 918 | |
|---|
| 919 | <p class=MsoNormal><span style='font-size:14.0pt'>The warning at the end is |
|---|
| 920 | because the default peak parameters describe a peak shape that is significantly |
|---|
| 921 | sharper than what is actually present for these data; the step size is actually |
|---|
| 922 | fine. This warning will later go away, but if it did not this would indicate |
|---|
| 923 | that it would be better to recollect the data with a step size decreased by a |
|---|
| 924 | factor of 3-4. <o:p></o:p></span></p> |
|---|
| 925 | |
|---|
| 926 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 927 | |
|---|
| 928 | <h3><span style='font-size:14.0pt'>Step 6: Refine peak areas and heights<o:p></o:p></span></h3> |
|---|
| 929 | |
|---|
| 930 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 931 | |
|---|
| 932 | <p class=MsoNormal><span style='font-size:14.0pt'>In the peak list window, <b |
|---|
| 933 | style='mso-bidi-font-weight:normal'>double click in the refine heading for the |
|---|
| 934 | peak position</b> <span class=GramE>flags,</span> this will bring up a dialog |
|---|
| 935 | that allows all peak positions to be varied. <o:p></o:p></span></p> |
|---|
| 936 | |
|---|
| 937 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 938 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_9" o:spid="_x0000_i1033" |
|---|
| 939 | type="#_x0000_t75" style='width:158pt;height:123pt;visibility:visible'> |
|---|
| 940 | <v:imagedata src="FindProfParamCW_files/image017.png" o:title=""/> |
|---|
| 941 | </v:shape><![endif]--><![if !vml]><img border=0 width=160 height=125 |
|---|
| 942 | src="FindProfParamCW_files/image018.png" v:shapes="Picture_x0020_9"><![endif]></span><span |
|---|
| 943 | style='font-size:14.0pt'><span style="mso-spacerun:yes"> </span><o:p></o:p></span></p> |
|---|
| 944 | |
|---|
| 945 | <p class=MsoNormal><span style='font-size:14.0pt'>Select Òvary allÓ and press |
|---|
| 946 | OK. Now all peak positions and areas will be refined.<o:p></o:p></span></p> |
|---|
| 947 | |
|---|
| 948 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 949 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_10" o:spid="_x0000_i1034" |
|---|
| 950 | type="#_x0000_t75" style='width:514pt;height:217pt;visibility:visible'> |
|---|
| 951 | <v:imagedata src="FindProfParamCW_files/image019.png" o:title=""/> |
|---|
| 952 | </v:shape><![endif]--><![if !vml]><img border=0 width=516 height=219 |
|---|
| 953 | src="FindProfParamCW_files/image020.png" v:shapes="Picture_x0020_10"><![endif]></span><span |
|---|
| 954 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 955 | |
|---|
| 956 | <p class=MsoNormal><span style='font-size:14.0pt'>Use the <b style='mso-bidi-font-weight: |
|---|
| 957 | normal'>Peak Fitting/<span class=SpellE>Peakfit</span></b> menu item to start |
|---|
| 958 | peak refinement.<o:p></o:p></span></p> |
|---|
| 959 | |
|---|
| 960 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 961 | |
|---|
| 962 | <p class=MsoNormal><span style='font-size:14.0pt'>The fit improves |
|---|
| 963 | significantly, as below, but further improvements are needed. <o:p></o:p></span></p> |
|---|
| 964 | |
|---|
| 965 | <p class=MsoNormal><span style='font-size:14.0pt;mso-fareast-language:EN-US; |
|---|
| 966 | mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_11" o:spid="_x0000_i1035" |
|---|
| 967 | type="#_x0000_t75" style='width:258pt;height:187pt;visibility:visible'> |
|---|
| 968 | <v:imagedata src="FindProfParamCW_files/image021.png" o:title=""/> |
|---|
| 969 | </v:shape><![endif]--><![if !vml]><img border=0 width=260 height=189 |
|---|
| 970 | src="FindProfParamCW_files/image022.png" v:shapes="Picture_x0020_11"><![endif]></span><span |
|---|
| 971 | style='font-size:14.0pt'><o:p></o:p></span></p> |
|---|
| 972 | |
|---|
| 973 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 974 | |
|---|
| 975 | <h3><span style='font-size:14.0pt'>Step 7: Refine peak areas, heights and |
|---|
| 976 | widths (optional)<o:p></o:p></span></h3> |
|---|
| 977 | |
|---|
| 978 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 979 | |
|---|
| 980 | <p class=MsoNormal><b style='mso-bidi-font-weight:normal'><span |
|---|
| 981 | style='font-size:14.0pt'>Double-Click</span></b><span style='font-size:14.0pt'> |
|---|
| 982 | on the refine headings for the <b style='mso-bidi-font-weight:normal'>sigma</b> |
|---|
| 983 | (Gaussian width) and <b style='mso-bidi-font-weight:normal'>gamma</b> |
|---|
| 984 | (Lorentzian width) parameters so that all parameters can be refined. Use the <b |
|---|
| 985 | style='mso-bidi-font-weight:normal'>Peak Fitting/<span class=SpellE>Peakfit</span></b> |
|---|
| 986 | menu item to start peak refinement. The results in the console window are as |
|---|
| 987 | below. <span style="mso-spacerun:yes"> </span>This is being done here just |
|---|
| 988 | to see how the individual peaks vary before we fit them with a parametric |
|---|
| 989 | equation. This step is not necessary, but provides a useful graphical reference |
|---|
| 990 | to look for any anomalous peaks that one might not want to use. <span |
|---|
| 991 | style="mso-spacerun:yes"> </span><o:p></o:p></span></p> |
|---|
| 992 | |
|---|
| 993 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 994 | |
|---|
| 995 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 996 | id="_x0000_i1036" type="#_x0000_t75" style='width:6in;height:2in'> |
|---|
| 997 | <v:imagedata src="FindProfParamCW_files/image023.png" o:title=""/> |
|---|
| 998 | </v:shape><![endif]--><![if !vml]><img border=0 width=434 height=146 |
|---|
| 999 | src="FindProfParamCW_files/image024.png" v:shapes="_x0000_i1036"><![endif]><o:p></o:p></span></p> |
|---|
| 1000 | |
|---|
| 1001 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1002 | |
|---|
| 1003 | <h3><span style='font-size:14.0pt'>Step 8: Add more Background terms<o:p></o:p></span></h3> |
|---|
| 1004 | |
|---|
| 1005 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1006 | |
|---|
| 1007 | <p class=MsoNormal><span style='font-size:14.0pt'>Use the zoom feature |
|---|
| 1008 | (magnifying glass) to draw a box around the low intensity data<o:p></o:p></span></p> |
|---|
| 1009 | |
|---|
| 1010 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1011 | |
|---|
| 1012 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1013 | id="_x0000_i1037" type="#_x0000_t75" style='width:441pt;height:180pt'> |
|---|
| 1014 | <v:imagedata src="FindProfParamCW_files/image025.png" o:title="fig"/> |
|---|
| 1015 | </v:shape><![endif]--><![if !vml]><img border=0 width=443 height=182 |
|---|
| 1016 | src="FindProfParamCW_files/image026.png" v:shapes="_x0000_i1037"><![endif]><o:p></o:p></span></p> |
|---|
| 1017 | |
|---|
| 1018 | <p class=MsoNormal><span style='font-size:14.0pt'>Looking at the plot (see |
|---|
| 1019 | below<span class=GramE>),</span> makes it clear that the background is not well |
|---|
| 1020 | fit. Adding more background terms will fix this. <o:p></o:p></span></p> |
|---|
| 1021 | |
|---|
| 1022 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1023 | id="_x0000_i1038" type="#_x0000_t75" style='width:431pt;height:324pt'> |
|---|
| 1024 | <v:imagedata src="FindProfParamCW_files/image027.png" o:title=""/> |
|---|
| 1025 | </v:shape><![endif]--><![if !vml]><img border=0 width=433 height=326 |
|---|
| 1026 | src="FindProfParamCW_files/image028.png" v:shapes="_x0000_i1038"><![endif]><o:p></o:p></span></p> |
|---|
| 1027 | |
|---|
| 1028 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1029 | |
|---|
| 1030 | <p class=MsoNormal><span style='font-size:14.0pt'>Select the <b |
|---|
| 1031 | style='mso-bidi-font-weight:normal'>Background</b> tree item and change the <b |
|---|
| 1032 | style='mso-bidi-font-weight:normal'>number of coefficients to 6</b>, as shown |
|---|
| 1033 | below. <o:p></o:p></span></p> |
|---|
| 1034 | |
|---|
| 1035 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1036 | id="_x0000_i1039" type="#_x0000_t75" style='width:553pt;height:231pt'> |
|---|
| 1037 | <v:imagedata src="FindProfParamCW_files/image029.png" o:title=""/> |
|---|
| 1038 | </v:shape><![endif]--><![if !vml]><img border=0 width=555 height=233 |
|---|
| 1039 | src="FindProfParamCW_files/image030.png" v:shapes="_x0000_i1039"><![endif]><o:p></o:p></span></p> |
|---|
| 1040 | |
|---|
| 1041 | <p class=MsoNormal><span style='font-size:14.0pt'>Then return to the <b |
|---|
| 1042 | style='mso-bidi-font-weight:normal'>Peak List</b> data tree item and use the <b |
|---|
| 1043 | style='mso-bidi-font-weight:normal'>Peak Fitting/<span class=SpellE>Peakfit</span></b> |
|---|
| 1044 | menu item to perform a peak refinement. At this point it is instructive to |
|---|
| 1045 | click on the <b style='mso-bidi-font-weight:normal'>Instrument Parameters</b> |
|---|
| 1046 | data tree item to see a plot of peak widths:<o:p></o:p></span></p> |
|---|
| 1047 | |
|---|
| 1048 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1049 | id="_x0000_i1040" type="#_x0000_t75" style='width:457pt;height:374pt'> |
|---|
| 1050 | <v:imagedata src="FindProfParamCW_files/image031.png" o:title=""/> |
|---|
| 1051 | </v:shape><![endif]--><![if !vml]><img border=0 width=459 height=376 |
|---|
| 1052 | src="FindProfParamCW_files/image032.png" v:shapes="_x0000_i1040"><![endif]><o:p></o:p></span></p> |
|---|
| 1053 | |
|---|
| 1054 | <p class=MsoNormal><span style='font-size:14.0pt'>Note that the solid curves |
|---|
| 1055 | here are plots of the profile coefficients from the default instrument |
|---|
| 1056 | parameters (which are unimportant here), but the fits for the individual peaks |
|---|
| 1057 | are shown (in units of Q/delta-Q <span class=SpellE>vs</span> Q), with |
|---|
| 1058 | Lorentzian widths (gamma) in green, Gaussian widths (sigma) in red and their |
|---|
| 1059 | convolution (total broadening) in blue. <o:p></o:p></span></p> |
|---|
| 1060 | |
|---|
| 1061 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1062 | |
|---|
| 1063 | <h3><span style='font-size:14.0pt'>Step 9: Refine Profile Parameters<o:p></o:p></span></h3> |
|---|
| 1064 | |
|---|
| 1065 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1066 | |
|---|
| 1067 | <p class=MsoNormal><span style='font-size:14.0pt'>Now, select the profile terms |
|---|
| 1068 | to be <b style='mso-bidi-font-weight:normal'>refine</b>d. Use <b |
|---|
| 1069 | style='mso-bidi-font-weight:normal'>Gaussian U, V, & W and Lorentzian X |
|---|
| 1070 | & Y</b> (note that Z, which provides constant broadening, independent of Q, |
|---|
| 1071 | is provided as an option, but is rarely if ever needed.)<o:p></o:p></span></p> |
|---|
| 1072 | |
|---|
| 1073 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1074 | id="_x0000_i1041" type="#_x0000_t75" style='width:505pt;height:263pt'> |
|---|
| 1075 | <v:imagedata src="FindProfParamCW_files/image033.png" o:title=""/> |
|---|
| 1076 | </v:shape><![endif]--><![if !vml]><img border=0 width=507 height=265 |
|---|
| 1077 | src="FindProfParamCW_files/image034.png" v:shapes="_x0000_i1041"><![endif]><o:p></o:p></span></p> |
|---|
| 1078 | |
|---|
| 1079 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1080 | |
|---|
| 1081 | <p class=MsoNormal><span style='font-size:14.0pt'>Note that these U, V & W |
|---|
| 1082 | values will be used to set the Gaussian peak widths for those peaks where sigma |
|---|
| 1083 | is not being refined and likewise X, Y & Z will be used to determine the |
|---|
| 1084 | Lorentzian widths where gamma is not refined for that peak. If we had any peaks |
|---|
| 1085 | that were not consistent with the width of the others, we might choose to |
|---|
| 1086 | continue to refine their sigma & gamma values so they would not affect U, <span |
|---|
| 1087 | class=GramE>V,É,</span> but here we will refine U, V, W, X & Y against all |
|---|
| 1088 | peaks. Select the <b style='mso-bidi-font-weight:normal'>Peak List data</b> |
|---|
| 1089 | tree item and <b style='mso-bidi-font-weight:normal'>remove refinement of sigma |
|---|
| 1090 | & gamma</b> for all peaks by double-clicking on the refine column headers |
|---|
| 1091 | for each and select ÒN – vary noneÓ so that the table appears as below:<o:p></o:p></span></p> |
|---|
| 1092 | |
|---|
| 1093 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1094 | id="_x0000_i1042" type="#_x0000_t75" style='width:533pt;height:207pt'> |
|---|
| 1095 | <v:imagedata src="FindProfParamCW_files/image035.png" o:title=""/> |
|---|
| 1096 | </v:shape><![endif]--><![if !vml]><img border=0 width=535 height=209 |
|---|
| 1097 | src="FindProfParamCW_files/image036.png" v:shapes="_x0000_i1042"><![endif]><o:p></o:p></span></p> |
|---|
| 1098 | |
|---|
| 1099 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1100 | |
|---|
| 1101 | <p class=MsoNormal><span style='font-size:14.0pt'>Use the <b style='mso-bidi-font-weight: |
|---|
| 1102 | normal'>Peak Fitting/<span class=SpellE>Peakfit</span></b> menu item to perform |
|---|
| 1103 | a peak refinement optimizing U, V, W, <span class=GramE>X</span> & Y:<o:p></o:p></span></p> |
|---|
| 1104 | |
|---|
| 1105 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1106 | |
|---|
| 1107 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1108 | id="_x0000_i1043" type="#_x0000_t75" style='width:510pt;height:198pt'> |
|---|
| 1109 | <v:imagedata src="FindProfParamCW_files/image037.png" o:title=""/> |
|---|
| 1110 | </v:shape><![endif]--><![if !vml]><img border=0 width=512 height=200 |
|---|
| 1111 | src="FindProfParamCW_files/image038.png" v:shapes="_x0000_i1043"><![endif]><o:p></o:p></span></p> |
|---|
| 1112 | |
|---|
| 1113 | <p class=MsoNormal><span style='font-size:14.0pt'>Note that the sigma and gamma |
|---|
| 1114 | values are now computed from U, V, & W and X & Y, respectively. The |
|---|
| 1115 | difference curve shows very small deviations.<o:p></o:p></span></p> |
|---|
| 1116 | |
|---|
| 1117 | <p class=MsoNormal><span style='font-size:14.0pt'><span |
|---|
| 1118 | style="mso-spacerun:yes"> </span><!--[if gte vml 1]><v:shape id="_x0000_i1044" |
|---|
| 1119 | type="#_x0000_t75" style='width:460pt;height:323pt'> |
|---|
| 1120 | <v:imagedata src="FindProfParamCW_files/image039.png" o:title=""/> |
|---|
| 1121 | </v:shape><![endif]--><![if !vml]><img border=0 width=462 height=325 |
|---|
| 1122 | src="FindProfParamCW_files/image040.png" v:shapes="_x0000_i1044"><![endif]><o:p></o:p></span></p> |
|---|
| 1123 | |
|---|
| 1124 | <p class=MsoNormal><span style='font-size:14.0pt'>Note that the background is |
|---|
| 1125 | also quite well fit now. <o:p></o:p></span></p> |
|---|
| 1126 | |
|---|
| 1127 | <h3><span style='font-size:14.0pt'>Step 10: Save the Profile Parameters<o:p></o:p></span></h3> |
|---|
| 1128 | |
|---|
| 1129 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1130 | |
|---|
| 1131 | <p class=MsoNormal><span style='font-size:14.0pt'>So that we can use these |
|---|
| 1132 | profile terms as the starting point for a future refinement, <b |
|---|
| 1133 | style='mso-bidi-font-weight:normal'>save the profile terms</b> to a file by |
|---|
| 1134 | clicking on the <b style='mso-bidi-font-weight:normal'>Instrumental Parameters</b> |
|---|
| 1135 | data tree item and use the <b style='mso-bidi-font-weight:normal'>Operations/Save |
|---|
| 1136 | Profile</b> menu command. Give the file a name that will be helpful for future |
|---|
| 1137 | use (<<span class=SpellE><i style='mso-bidi-font-style:normal'>MyInstrument</i></span><i |
|---|
| 1138 | style='mso-bidi-font-style:normal'>></i>20-70deg.instparm might be good) and |
|---|
| 1139 | put this file in the directory(s) where you will keep your data files. <o:p></o:p></span></p> |
|---|
| 1140 | |
|---|
| 1141 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1142 | |
|---|
| 1143 | <p class=MsoNormal><span style='font-size:14.0pt'>Clicking on the Instrument |
|---|
| 1144 | Parameters data tree item will show the peak widths from U, V, W, X & Y, |
|---|
| 1145 | and also the individual peak widths generated from those values (not very |
|---|
| 1146 | useful). For a more useful plot we refining the individual peak widths |
|---|
| 1147 | independently again, as shown in the next section. <o:p></o:p></span></p> |
|---|
| 1148 | |
|---|
| 1149 | <h3><span style='font-size:14.0pt'>Step 11: Plot Profile Parameters with |
|---|
| 1150 | Individual Peak Widths (optional)<o:p></o:p></span></h3> |
|---|
| 1151 | |
|---|
| 1152 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1153 | |
|---|
| 1154 | <p class=MsoNormal><span style='font-size:14.0pt'>First we <b style='mso-bidi-font-weight: |
|---|
| 1155 | normal'>stop refining U, V, W, <span class=GramE>X</span> & Y</b> by |
|---|
| 1156 | clicking on <b style='mso-bidi-font-weight:normal'>Instrumental Parameters</b> |
|---|
| 1157 | data tree item and turning the refinement flags off. <o:p></o:p></span></p> |
|---|
| 1158 | |
|---|
| 1159 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1160 | id="_x0000_i1046" type="#_x0000_t75" style='width:393pt;height:254pt'> |
|---|
| 1161 | <v:imagedata src="FindProfParamCW_files/image041.png" o:title=""/> |
|---|
| 1162 | </v:shape><![endif]--><![if !vml]><img border=0 width=395 height=256 |
|---|
| 1163 | src="FindProfParamCW_files/image042.png" v:shapes="_x0000_i1046"><![endif]><o:p></o:p></span></p> |
|---|
| 1164 | |
|---|
| 1165 | <p class=MsoNormal><span style='font-size:14.0pt'>In the <b style='mso-bidi-font-weight: |
|---|
| 1166 | normal'>Peak List</b> data tree item, turn on<b style='mso-bidi-font-weight: |
|---|
| 1167 | normal'> refine</b>ment of<b style='mso-bidi-font-weight:normal'> all |
|---|
| 1168 | individual peak widths</b> (as we did in Step 7)<o:p></o:p></span></p> |
|---|
| 1169 | |
|---|
| 1170 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1171 | id="_x0000_i1047" type="#_x0000_t75" style='width:545pt;height:195pt'> |
|---|
| 1172 | <v:imagedata src="FindProfParamCW_files/image043.png" o:title=""/> |
|---|
| 1173 | </v:shape><![endif]--><![if !vml]><img border=0 width=547 height=197 |
|---|
| 1174 | src="FindProfParamCW_files/image044.png" v:shapes="_x0000_i1047"><![endif]><o:p></o:p></span></p> |
|---|
| 1175 | |
|---|
| 1176 | <p class=MsoNormal><span class=GramE><span style='font-size:14.0pt'>and</span></span><span |
|---|
| 1177 | style='font-size:14.0pt'> use the <b style='mso-bidi-font-weight:normal'>Peak |
|---|
| 1178 | Fitting/<span class=SpellE>Peakfit</span></b> menu item to perform a peak |
|---|
| 1179 | refinement optimizing individual peak widths, as before. Returning to the <b |
|---|
| 1180 | style='mso-bidi-font-weight:normal'>Instrumental Parameters</b> data tree item |
|---|
| 1181 | provides this plot:<o:p></o:p></span></p> |
|---|
| 1182 | |
|---|
| 1183 | <p class=MsoNormal><span style='font-size:14.0pt'><o:p> </o:p></span></p> |
|---|
| 1184 | |
|---|
| 1185 | <p class=MsoNormal><span style='font-size:14.0pt'><!--[if gte vml 1]><v:shape |
|---|
| 1186 | id="_x0000_i1048" type="#_x0000_t75" style='width:537pt;height:426pt'> |
|---|
| 1187 | <v:imagedata src="FindProfParamCW_files/image045.png" o:title=""/> |
|---|
| 1188 | </v:shape><![endif]--><![if !vml]><img border=0 width=539 height=428 |
|---|
| 1189 | src="FindProfParamCW_files/image046.png" v:shapes="_x0000_i1048"><![endif]><o:p></o:p></span></p> |
|---|
| 1190 | |
|---|
| 1191 | <p class=MsoNormal><span style='font-size:14.0pt'>The displayed lines and |
|---|
| 1192 | points are as follows, where Lorentzian widths are shown in green, Gaussian |
|---|
| 1193 | widths are in red and their convolution (total broadening) is shown in blue: <o:p></o:p></span></p> |
|---|
| 1194 | |
|---|
| 1195 | <p class=MsoNormal style='margin-left:.5in;text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span |
|---|
| 1196 | style='font-size:14.0pt;font-family:Symbol;mso-fareast-font-family:Symbol; |
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| 1197 | mso-bidi-font-family:Symbol'><span style='mso-list:Ignore'>á<span |
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| 1198 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
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| 1199 | style='mso-bidi-font-weight:normal'><span style='font-size:14.0pt'>Solid curves</span></b><span |
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| 1200 | style='font-size:14.0pt'>: profile terms from original instrument parameter |
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| 1201 | file (here the <span class=SpellE>CuKa</span> lab data defaults). Note since X, |
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| 1202 | Y & Z are zero, there is only Gaussian broadening and the total broadening |
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| 1203 | is exactly the same as the Gaussian so the blue curve hides the red one. <o:p></o:p></span></p> |
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| 1204 | |
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| 1205 | <p class=MsoNormal style='margin-left:.5in;text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span |
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| 1206 | style='font-size:14.0pt;font-family:Symbol;mso-fareast-font-family:Symbol; |
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| 1207 | mso-bidi-font-family:Symbol'><span style='mso-list:Ignore'>á<span |
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| 1208 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
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| 1209 | style='mso-bidi-font-weight:normal'><span style='font-size:14.0pt'>Dashed |
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| 1210 | curves:</span></b><span style='font-size:14.0pt'> <span class=GramE>these |
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| 1211 | values are generated by U, V & W and X, Y & Z. Note that the broadening |
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| 1212 | from this instrument is significantly greater than the default</span> values. <o:p></o:p></span></p> |
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| 1213 | |
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| 1214 | <p class=MsoNormal style='margin-left:.5in;text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span |
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| 1215 | style='font-size:14.0pt;font-family:Symbol;mso-fareast-font-family:Symbol; |
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| 1216 | mso-bidi-font-family:Symbol'><span style='mso-list:Ignore'>á<span |
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| 1217 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b |
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| 1218 | style='mso-bidi-font-weight:normal'><span style='font-size:14.0pt'>Plus signs |
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| 1219 | (points):</span></b><span style='font-size:14.0pt'> these are the widths for |
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| 1220 | the individual reflections unconstrained. Note that they agree well with the |
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| 1221 | fitted curves (dashed lines).<span style="mso-spacerun:yes"> </span><o:p></o:p></span></p> |
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| 1222 | |
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| 1223 | </div> |
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| 1224 | |
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| 1225 | </body> |
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| 1226 | |
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| 1227 | </html> |
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