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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:Calibri; |
|---|
| 351 | panose-1:2 15 5 2 2 2 4 3 2 4; |
|---|
| 352 | mso-font-charset:0; |
|---|
| 353 | mso-generic-font-family:swiss; |
|---|
| 354 | mso-font-pitch:variable; |
|---|
| 355 | mso-font-signature:-536870145 1073786111 1 0 415 0;} |
|---|
| 356 | @font-face |
|---|
| 357 | {font-family:Tahoma; |
|---|
| 358 | panose-1:2 11 6 4 3 5 4 4 2 4; |
|---|
| 359 | mso-font-charset:0; |
|---|
| 360 | mso-generic-font-family:swiss; |
|---|
| 361 | mso-font-pitch:variable; |
|---|
| 362 | mso-font-signature:-520081665 -1073717157 41 0 66047 0;} |
|---|
| 363 | /* Style Definitions */ |
|---|
| 364 | p.MsoNormal, li.MsoNormal, div.MsoNormal |
|---|
| 365 | {mso-style-unhide:no; |
|---|
| 366 | mso-style-qformat:yes; |
|---|
| 367 | mso-style-parent:""; |
|---|
| 368 | margin:0in; |
|---|
| 369 | margin-bottom:.0001pt; |
|---|
| 370 | mso-pagination:widow-orphan; |
|---|
| 371 | font-size:12.0pt; |
|---|
| 372 | font-family:"Times New Roman","serif"; |
|---|
| 373 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 374 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 375 | h1 |
|---|
| 376 | {mso-style-priority:9; |
|---|
| 377 | mso-style-unhide:no; |
|---|
| 378 | mso-style-qformat:yes; |
|---|
| 379 | mso-style-link:"Heading 1 Char"; |
|---|
| 380 | mso-margin-top-alt:auto; |
|---|
| 381 | margin-right:0in; |
|---|
| 382 | mso-margin-bottom-alt:auto; |
|---|
| 383 | margin-left:0in; |
|---|
| 384 | mso-pagination:widow-orphan; |
|---|
| 385 | mso-outline-level:1; |
|---|
| 386 | font-size:24.0pt; |
|---|
| 387 | font-family:"Times New Roman","serif"; |
|---|
| 388 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 389 | mso-fareast-theme-font:minor-fareast; |
|---|
| 390 | font-weight:bold;} |
|---|
| 391 | h2 |
|---|
| 392 | {mso-style-noshow:yes; |
|---|
| 393 | mso-style-priority:9; |
|---|
| 394 | mso-style-qformat:yes; |
|---|
| 395 | mso-style-link:"Heading 2 Char"; |
|---|
| 396 | mso-margin-top-alt:auto; |
|---|
| 397 | margin-right:0in; |
|---|
| 398 | mso-margin-bottom-alt:auto; |
|---|
| 399 | margin-left:0in; |
|---|
| 400 | mso-pagination:widow-orphan; |
|---|
| 401 | mso-outline-level:2; |
|---|
| 402 | font-size:18.0pt; |
|---|
| 403 | font-family:"Times New Roman","serif"; |
|---|
| 404 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 405 | mso-fareast-theme-font:minor-fareast; |
|---|
| 406 | font-weight:bold;} |
|---|
| 407 | h3 |
|---|
| 408 | {mso-style-noshow:yes; |
|---|
| 409 | mso-style-priority:9; |
|---|
| 410 | mso-style-qformat:yes; |
|---|
| 411 | mso-style-link:"Heading 3 Char"; |
|---|
| 412 | mso-margin-top-alt:auto; |
|---|
| 413 | margin-right:0in; |
|---|
| 414 | mso-margin-bottom-alt:auto; |
|---|
| 415 | margin-left:0in; |
|---|
| 416 | mso-pagination:widow-orphan; |
|---|
| 417 | mso-outline-level:3; |
|---|
| 418 | font-size:13.5pt; |
|---|
| 419 | font-family:"Times New Roman","serif"; |
|---|
| 420 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 421 | mso-fareast-theme-font:minor-fareast; |
|---|
| 422 | font-weight:bold;} |
|---|
| 423 | h4 |
|---|
| 424 | {mso-style-noshow:yes; |
|---|
| 425 | mso-style-priority:9; |
|---|
| 426 | mso-style-qformat:yes; |
|---|
| 427 | mso-style-link:"Heading 4 Char"; |
|---|
| 428 | mso-style-next:Normal; |
|---|
| 429 | margin-top:10.0pt; |
|---|
| 430 | margin-right:0in; |
|---|
| 431 | margin-bottom:0in; |
|---|
| 432 | margin-left:0in; |
|---|
| 433 | margin-bottom:.0001pt; |
|---|
| 434 | mso-pagination:widow-orphan lines-together; |
|---|
| 435 | page-break-after:avoid; |
|---|
| 436 | mso-outline-level:4; |
|---|
| 437 | font-size:13.0pt; |
|---|
| 438 | font-family:"Cambria","serif"; |
|---|
| 439 | mso-ascii-font-family:Cambria; |
|---|
| 440 | mso-ascii-theme-font:major-latin; |
|---|
| 441 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 442 | mso-fareast-theme-font:major-fareast; |
|---|
| 443 | mso-hansi-font-family:Cambria; |
|---|
| 444 | mso-hansi-theme-font:major-latin; |
|---|
| 445 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 446 | mso-bidi-theme-font:major-bidi; |
|---|
| 447 | color:#4F81BD; |
|---|
| 448 | mso-themecolor:accent1; |
|---|
| 449 | font-weight:bold; |
|---|
| 450 | font-style:italic;} |
|---|
| 451 | h5 |
|---|
| 452 | {mso-style-noshow:yes; |
|---|
| 453 | mso-style-priority:9; |
|---|
| 454 | mso-style-qformat:yes; |
|---|
| 455 | mso-style-link:"Heading 5 Char"; |
|---|
| 456 | mso-margin-top-alt:auto; |
|---|
| 457 | margin-right:0in; |
|---|
| 458 | mso-margin-bottom-alt:auto; |
|---|
| 459 | margin-left:0in; |
|---|
| 460 | mso-pagination:widow-orphan; |
|---|
| 461 | mso-outline-level:5; |
|---|
| 462 | font-size:12.0pt; |
|---|
| 463 | font-family:"Times New Roman","serif"; |
|---|
| 464 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 465 | mso-fareast-theme-font:minor-fareast; |
|---|
| 466 | color:#4F4FFF; |
|---|
| 467 | font-weight:bold;} |
|---|
| 468 | a:link, span.MsoHyperlink |
|---|
| 469 | {mso-style-noshow:yes; |
|---|
| 470 | mso-style-priority:99; |
|---|
| 471 | color:blue; |
|---|
| 472 | text-decoration:underline; |
|---|
| 473 | text-underline:single;} |
|---|
| 474 | a:visited, span.MsoHyperlinkFollowed |
|---|
| 475 | {mso-style-noshow:yes; |
|---|
| 476 | mso-style-priority:99; |
|---|
| 477 | color:purple; |
|---|
| 478 | text-decoration:underline; |
|---|
| 479 | text-underline:single;} |
|---|
| 480 | p.MsoDocumentMap, li.MsoDocumentMap, div.MsoDocumentMap |
|---|
| 481 | {mso-style-noshow:yes; |
|---|
| 482 | mso-style-priority:99; |
|---|
| 483 | mso-style-link:"Document Map Char"; |
|---|
| 484 | margin:0in; |
|---|
| 485 | margin-bottom:.0001pt; |
|---|
| 486 | mso-pagination:widow-orphan; |
|---|
| 487 | font-size:8.0pt; |
|---|
| 488 | font-family:"Tahoma","sans-serif"; |
|---|
| 489 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 490 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 491 | p |
|---|
| 492 | {mso-style-noshow:yes; |
|---|
| 493 | mso-style-priority:99; |
|---|
| 494 | mso-margin-top-alt:auto; |
|---|
| 495 | margin-right:0in; |
|---|
| 496 | mso-margin-bottom-alt:auto; |
|---|
| 497 | margin-left:0in; |
|---|
| 498 | mso-pagination:widow-orphan; |
|---|
| 499 | font-size:12.0pt; |
|---|
| 500 | font-family:"Times New Roman","serif"; |
|---|
| 501 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 502 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 503 | pre |
|---|
| 504 | {mso-style-noshow:yes; |
|---|
| 505 | mso-style-priority:99; |
|---|
| 506 | mso-style-link:"HTML Preformatted Char"; |
|---|
| 507 | margin:0in; |
|---|
| 508 | margin-bottom:.0001pt; |
|---|
| 509 | mso-pagination:widow-orphan; |
|---|
| 510 | 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; |
|---|
| 511 | font-size:10.0pt; |
|---|
| 512 | font-family:"Courier New"; |
|---|
| 513 | mso-fareast-font-family:"Times New Roman";} |
|---|
| 514 | p.MsoAcetate, li.MsoAcetate, div.MsoAcetate |
|---|
| 515 | {mso-style-noshow:yes; |
|---|
| 516 | mso-style-priority:99; |
|---|
| 517 | mso-style-link:"Balloon Text Char"; |
|---|
| 518 | margin:0in; |
|---|
| 519 | margin-bottom:.0001pt; |
|---|
| 520 | mso-pagination:widow-orphan; |
|---|
| 521 | font-size:8.0pt; |
|---|
| 522 | font-family:"Tahoma","sans-serif"; |
|---|
| 523 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 524 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 525 | span.MsoPlaceholderText |
|---|
| 526 | {mso-style-noshow:yes; |
|---|
| 527 | mso-style-priority:99; |
|---|
| 528 | mso-style-unhide:no; |
|---|
| 529 | color:gray;} |
|---|
| 530 | p.MsoNoSpacing, li.MsoNoSpacing, div.MsoNoSpacing |
|---|
| 531 | {mso-style-noshow:yes; |
|---|
| 532 | mso-style-priority:1; |
|---|
| 533 | mso-style-unhide:no; |
|---|
| 534 | mso-style-qformat:yes; |
|---|
| 535 | mso-style-parent:""; |
|---|
| 536 | margin:0in; |
|---|
| 537 | margin-bottom:.0001pt; |
|---|
| 538 | mso-pagination:widow-orphan; |
|---|
| 539 | font-size:12.0pt; |
|---|
| 540 | font-family:"Times New Roman","serif"; |
|---|
| 541 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 542 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 543 | p.MsoListParagraph, li.MsoListParagraph, div.MsoListParagraph |
|---|
| 544 | {mso-style-noshow:yes; |
|---|
| 545 | mso-style-priority:34; |
|---|
| 546 | mso-style-unhide:no; |
|---|
| 547 | mso-style-qformat:yes; |
|---|
| 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.MsoListParagraphCxSpFirst, li.MsoListParagraphCxSpFirst, div.MsoListParagraphCxSpFirst |
|---|
| 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.MsoListParagraphCxSpMiddle, li.MsoListParagraphCxSpMiddle, div.MsoListParagraphCxSpMiddle |
|---|
| 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 | p.MsoListParagraphCxSpLast, li.MsoListParagraphCxSpLast, div.MsoListParagraphCxSpLast |
|---|
| 594 | {mso-style-noshow:yes; |
|---|
| 595 | mso-style-priority:34; |
|---|
| 596 | mso-style-unhide:no; |
|---|
| 597 | mso-style-qformat:yes; |
|---|
| 598 | mso-style-type:export-only; |
|---|
| 599 | margin-top:0in; |
|---|
| 600 | margin-right:0in; |
|---|
| 601 | margin-bottom:0in; |
|---|
| 602 | margin-left:.5in; |
|---|
| 603 | margin-bottom:.0001pt; |
|---|
| 604 | mso-add-space:auto; |
|---|
| 605 | mso-pagination:widow-orphan; |
|---|
| 606 | font-size:12.0pt; |
|---|
| 607 | font-family:"Times New Roman","serif"; |
|---|
| 608 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 609 | mso-fareast-theme-font:minor-fareast;} |
|---|
| 610 | span.MsoIntenseReference |
|---|
| 611 | {mso-style-priority:32; |
|---|
| 612 | mso-style-unhide:no; |
|---|
| 613 | mso-style-qformat:yes; |
|---|
| 614 | font-variant:small-caps; |
|---|
| 615 | color:#C0504D; |
|---|
| 616 | mso-themecolor:accent2; |
|---|
| 617 | letter-spacing:.25pt; |
|---|
| 618 | font-weight:bold; |
|---|
| 619 | text-decoration:underline; |
|---|
| 620 | text-underline:single;} |
|---|
| 621 | span.Heading1Char |
|---|
| 622 | {mso-style-name:"Heading 1 Char"; |
|---|
| 623 | mso-style-priority:9; |
|---|
| 624 | mso-style-unhide:no; |
|---|
| 625 | mso-style-locked:yes; |
|---|
| 626 | mso-style-link:"Heading 1"; |
|---|
| 627 | mso-ansi-font-size:24.0pt; |
|---|
| 628 | mso-bidi-font-size:24.0pt; |
|---|
| 629 | font-family:"Times New Roman","serif"; |
|---|
| 630 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 631 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 632 | mso-fareast-theme-font:minor-fareast; |
|---|
| 633 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 634 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 635 | mso-font-kerning:18.0pt; |
|---|
| 636 | font-weight:bold;} |
|---|
| 637 | span.Heading2Char |
|---|
| 638 | {mso-style-name:"Heading 2 Char"; |
|---|
| 639 | mso-style-noshow:yes; |
|---|
| 640 | mso-style-priority:9; |
|---|
| 641 | mso-style-unhide:no; |
|---|
| 642 | mso-style-locked:yes; |
|---|
| 643 | mso-style-link:"Heading 2"; |
|---|
| 644 | mso-ansi-font-size:18.0pt; |
|---|
| 645 | mso-bidi-font-size:18.0pt; |
|---|
| 646 | font-family:"Times New Roman","serif"; |
|---|
| 647 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 648 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 649 | mso-fareast-theme-font:minor-fareast; |
|---|
| 650 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 651 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 652 | font-weight:bold;} |
|---|
| 653 | span.Heading3Char |
|---|
| 654 | {mso-style-name:"Heading 3 Char"; |
|---|
| 655 | mso-style-noshow:yes; |
|---|
| 656 | mso-style-priority:9; |
|---|
| 657 | mso-style-unhide:no; |
|---|
| 658 | mso-style-locked:yes; |
|---|
| 659 | mso-style-link:"Heading 3"; |
|---|
| 660 | mso-ansi-font-size:13.5pt; |
|---|
| 661 | mso-bidi-font-size:13.5pt; |
|---|
| 662 | font-family:"Times New Roman","serif"; |
|---|
| 663 | mso-ascii-font-family:"Times New Roman"; |
|---|
| 664 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 665 | mso-fareast-theme-font:minor-fareast; |
|---|
| 666 | mso-hansi-font-family:"Times New Roman"; |
|---|
| 667 | mso-bidi-font-family:"Times New Roman"; |
|---|
| 668 | font-weight:bold;} |
|---|
| 669 | span.Heading4Char |
|---|
| 670 | {mso-style-name:"Heading 4 Char"; |
|---|
| 671 | mso-style-noshow:yes; |
|---|
| 672 | mso-style-priority:9; |
|---|
| 673 | mso-style-unhide:no; |
|---|
| 674 | mso-style-locked:yes; |
|---|
| 675 | mso-style-link:"Heading 4"; |
|---|
| 676 | mso-ansi-font-size:13.0pt; |
|---|
| 677 | mso-bidi-font-size:13.0pt; |
|---|
| 678 | font-family:"Cambria","serif"; |
|---|
| 679 | mso-ascii-font-family:Cambria; |
|---|
| 680 | mso-ascii-theme-font:major-latin; |
|---|
| 681 | mso-fareast-font-family:"Times New Roman"; |
|---|
| 682 | mso-fareast-theme-font:major-fareast; |
|---|
| 683 | mso-hansi-font-family:Cambria; |
|---|
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| 885 | <h1><strong><span style='mso-bidi-font-weight:normal'>Sequential Refinement of |
|---|
| 886 | Small Angle Scattering Data</span><o:p></o:p></strong></h1> |
|---|
| 887 | |
|---|
| 888 | <p class=MsoNormal style='mso-layout-grid-align:none;text-autospace:none'>In |
|---|
| 889 | this tutorial you will fit USAXS small angle scattering data for <span |
|---|
| 890 | class=SpellE>Ludox</span> colloidal silica (Aldrich, LUDOX TM-50?) prepared in |
|---|
| 891 | a range of dilutions to demonstrate the sequential refinement technique in |
|---|
| 892 | GSAS-II for SASD and demonstrate fitting with a hard sphere structure factor |
|---|
| 893 | for non-dilute systems.<span style='mso-fareast-font-family:Calibri;mso-fareast-theme-font: |
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| 894 | minor-latin;mso-bidi-font-weight:bold;mso-bidi-font-style:italic'><o:p></o:p></span></p> |
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| 895 | |
|---|
| 896 | <p class=MsoNormal>If you have not done so already, <a |
|---|
| 897 | href="Starting%20GSAS.htm">start GSAS-II</a>.</p> |
|---|
| 898 | |
|---|
| 899 | <h2>Step 1: read in the data files</h2> |
|---|
| 900 | |
|---|
| 901 | <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
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| 902 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span |
|---|
| 903 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use |
|---|
| 904 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 905 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
|---|
| 906 | Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from a q step |
|---|
| 907 | QIE data file</span></b> menu item to read the data files into GSAS-II. This |
|---|
| 908 | read option is set to read three column small angle scattering data (SASD) as Q |
|---|
| 909 | in Å<sup>-1</sup>, intensity and estimated standard deviation in intensity; |
|---|
| 910 | there may be a header with metadata information in the front of this file.<span |
|---|
| 911 | style='mso-spacerun:yes'> </span>It will read multiple files from a single |
|---|
| 912 | directory. Change the file directory to <b style='mso-bidi-font-weight:normal'><span |
|---|
| 913 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 914 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
|---|
| 915 | minor-latin'>Exercises/Small angle</span></b><span style='font-family:"Calibri","sans-serif"; |
|---|
| 916 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: |
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| 917 | Calibri;mso-bidi-theme-font:minor-latin'> to find the files.</span></p> |
|---|
| 918 | |
|---|
| 919 | <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span |
|---|
| 920 | style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span |
|---|
| 921 | style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select |
|---|
| 922 | the six<span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
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| 923 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri; |
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| 924 | mso-bidi-theme-font:minor-latin'> data</span> files with <span class=SpellE><b |
|---|
| 925 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 926 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Ludox</span></b></span> |
|---|
| 927 | in their name in the first dialog and press <b style='mso-bidi-font-weight: |
|---|
| 928 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 929 | minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri; |
|---|
| 930 | mso-bidi-theme-font:minor-latin'>Open</span></b>. All six will immediately be |
|---|
| 931 | read into GSAS-II; you will have to select the <b style='mso-bidi-font-weight: |
|---|
| 932 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 933 | minor-latin;mso-hansi-theme-font:minor-latin'>any file (*.*)</span></b> filter |
|---|
| 934 | to see them.</p> |
|---|
| 935 | |
|---|
| 936 | <p class=MsoListParagraphCxSpLast><o:p> </o:p></p> |
|---|
| 937 | |
|---|
| 938 | <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 939 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 940 | mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: |
|---|
| 941 | minor-latin'>GSAS-II data tree</span></b> window will have several entries and |
|---|
| 942 | the plot window will show the SASD pattern for all six as a log-log plot of intensity |
|---|
| 943 | vs. Q; one shows error bars (<b style='mso-bidi-font-weight:normal'><span |
|---|
| 944 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 945 | mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) as it is |
|---|
| 946 | the selected tree entry and the others as lines.</p> |
|---|
| 947 | |
|---|
| 948 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype |
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| 969 | style='width:525pt;height:450pt;visibility:visible;mso-wrap-style:square'> |
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| 971 | o:title=""/> |
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| 972 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
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| 973 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image001.png" |
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| 974 | v:shapes="Picture_x0020_25"><![endif]></span></p> |
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| 975 | |
|---|
| 976 | <h2><a name="_Ref386704789">Step 2: Set Limits</a></h2> |
|---|
| 977 | |
|---|
| 978 | <p class=MsoNormal>For this step we will reposition the limits to exclude the |
|---|
| 979 | low-Q (<10<sup>-3</sup>) part of the patterns which do not seem to follow |
|---|
| 980 | the sequence evident in the 10<sup>-2</sup> 10<sup>-1</sup> part. Select <b |
|---|
| 981 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 982 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Limits</span></b> |
|---|
| 983 | under <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 984 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SASD alumina |
|---|
| 985 | data.dat</span></b> from the GSAS-II tree. Set the lower limit using the cursor |
|---|
| 986 | on the plot by picking a point somewhere in the flat region at Q~3x10<sup>-3</sup> |
|---|
| 987 | with the left or right mouse button. The limits window should look something |
|---|
| 988 | like</p> |
|---|
| 989 | |
|---|
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| 994 | o:title=""/> |
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| 995 | </v:shape><![endif]--><![if !vml]><img border=0 width=300 height=260 |
|---|
| 996 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png" |
|---|
| 997 | v:shapes="Picture_x0020_26"><![endif]></span><span |
|---|
| 998 | style='mso-spacerun:yes'> </span></p> |
|---|
| 999 | |
|---|
| 1000 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1001 | |
|---|
| 1002 | <p class=MsoNormal>To copy these limits to the other data sets use the <b |
|---|
| 1003 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1004 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy</span></b> |
|---|
| 1005 | command from the data window menu; a popup window will give the selection of |
|---|
| 1006 | targets.<br> |
|---|
| 1007 | <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" |
|---|
| 1008 | o:spid="_x0000_i1054" type="#_x0000_t75" style='width:240pt;height:232.5pt; |
|---|
| 1009 | visibility:visible;mso-wrap-style:square'> |
|---|
| 1010 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png" |
|---|
| 1011 | o:title=""/> |
|---|
| 1012 | </v:shape><![endif]--><![if !vml]><img border=0 width=320 height=310 |
|---|
| 1013 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png" |
|---|
| 1014 | v:shapes="Picture_x0020_27"><![endif]></span></p> |
|---|
| 1015 | |
|---|
| 1016 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1017 | |
|---|
| 1018 | <p class=MsoNormal>Do <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1019 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1020 | mso-hansi-theme-font:minor-latin'>Set All</span></b> (all boxes will be |
|---|
| 1021 | checked) and then press <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1022 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1023 | mso-hansi-theme-font:minor-latin'>Enter</span></b> to do the copy.</p> |
|---|
| 1024 | |
|---|
| 1025 | <h2>Step 3 Select the scattering substances for your sample</h2> |
|---|
| 1026 | |
|---|
| 1027 | <p class=MsoNormal><span style='mso-no-proof:yes'>Two substances need to be |
|---|
| 1028 | defined for your sample to give the anticipated scattering contrast; in this |
|---|
| 1029 | case one is silica and the other is water. Parameters for a number of |
|---|
| 1030 | substances are defined in the file </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1031 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1032 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Substances.py</span></b><span |
|---|
| 1033 | style='mso-no-proof:yes'>. You can add your own substances to this or better |
|---|
| 1034 | put them in </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1035 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1036 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span |
|---|
| 1037 | style='mso-no-proof:yes'>; this is read after Substances.py when you load |
|---|
| 1038 | substances for your selection. </span>Select <b style='mso-bidi-font-weight: |
|---|
| 1039 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1040 | minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the |
|---|
| 1041 | GSAS-II tree. Then do <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1042 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1043 | mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance from the menu; |
|---|
| 1044 | a popup window will appear with possible selections</p> |
|---|
| 1045 | |
|---|
| 1046 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1047 | id="Picture_x0020_3" o:spid="_x0000_i1053" type="#_x0000_t75" style='width:259.5pt; |
|---|
| 1048 | height:252pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1049 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png" |
|---|
| 1050 | o:title=""/> |
|---|
| 1051 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336 |
|---|
| 1052 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png" |
|---|
| 1053 | v:shapes="Picture_x0020_3"><![endif]><o:p></o:p></span></p> |
|---|
| 1054 | |
|---|
| 1055 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1056 | |
|---|
| 1057 | <p class=MsoNormal>Notice that silica is not one of the choices; we will add it |
|---|
| 1058 | in a moment. Select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1059 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1060 | mso-hansi-theme-font:minor-latin'>Water</span></b> and press <b |
|---|
| 1061 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1062 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; |
|---|
| 1063 | the relevant data for water (and vacuum) are displayed next</p> |
|---|
| 1064 | |
|---|
| 1065 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1066 | id="Picture_x0020_28" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:259.5pt; |
|---|
| 1067 | height:195pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1068 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png" |
|---|
| 1069 | o:title=""/> |
|---|
| 1070 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=260 |
|---|
| 1071 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png" |
|---|
| 1072 | v:shapes="Picture_x0020_28"><![endif]></span><span |
|---|
| 1073 | style='mso-spacerun:yes'> </span></p> |
|---|
| 1074 | |
|---|
| 1075 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1076 | |
|---|
| 1077 | <p class=MsoNormal>If desired, you can load/add as many substances as you want |
|---|
| 1078 | to this list; you can also delete any of them (except vacuum). The composition, |
|---|
| 1079 | volume occupied by the atoms in the composition and the density are given for |
|---|
| 1080 | each substance. These can each be edited; the other values will change |
|---|
| 1081 | accordingly. Since silica wasnt in the list of known substances, do <b |
|---|
| 1082 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1083 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add |
|---|
| 1084 | substance</span></b> to create it; you will be asked for a name enter <b |
|---|
| 1085 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1086 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b> |
|---|
| 1087 | and then a periodic table of the elements will be shown. Select <b |
|---|
| 1088 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1089 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Si</span></b> |
|---|
| 1090 | and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1091 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p> |
|---|
| 1092 | |
|---|
| 1093 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1094 | id="Picture_x0020_29" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:435pt; |
|---|
| 1095 | height:270pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1096 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png" |
|---|
| 1097 | o:title=""/> |
|---|
| 1098 | </v:shape><![endif]--><![if !vml]><img border=0 width=580 height=360 |
|---|
| 1099 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png" |
|---|
| 1100 | v:shapes="Picture_x0020_29"><![endif]></span><span |
|---|
| 1101 | style='mso-spacerun:yes'> </span></p> |
|---|
| 1102 | |
|---|
| 1103 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1104 | |
|---|
| 1105 | <p class=MsoNormal>They appear in red. Press <b style='mso-bidi-font-weight: |
|---|
| 1106 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1107 | minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> and silica will be |
|---|
| 1108 | added to your substance list</p> |
|---|
| 1109 | |
|---|
| 1110 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1111 | id="Picture_x0020_30" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:259.5pt; |
|---|
| 1112 | height:282.75pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1113 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png" |
|---|
| 1114 | o:title=""/> |
|---|
| 1115 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=377 |
|---|
| 1116 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png" |
|---|
| 1117 | v:shapes="Picture_x0020_30"><![endif]></span></p> |
|---|
| 1118 | |
|---|
| 1119 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1120 | |
|---|
| 1121 | <p class=MsoNormal>Change the O-atom entry to <b style='mso-bidi-font-weight: |
|---|
| 1122 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1123 | minor-latin;mso-hansi-theme-font:minor-latin'>2.0</span></b> and the density to |
|---|
| 1124 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1125 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.65</span></b>; |
|---|
| 1126 | the window will change each time giving new values and should finally show</p> |
|---|
| 1127 | |
|---|
| 1128 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1129 | id="Picture_x0020_8" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:259.5pt; |
|---|
| 1130 | height:282.75pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1131 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png" |
|---|
| 1132 | o:title=""/> |
|---|
| 1133 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=377 |
|---|
| 1134 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png" |
|---|
| 1135 | v:shapes="Picture_x0020_8"><![endif]></span><span |
|---|
| 1136 | style='mso-spacerun:yes'> </span></p> |
|---|
| 1137 | |
|---|
| 1138 | <p class=MsoNormal>From this information the scattering density and that as |
|---|
| 1139 | affected by resonant scattering for the listed wavelength is displayed (the |
|---|
| 1140 | wavelength can be changed in the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1141 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1142 | mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree |
|---|
| 1143 | item if needed). The resonant scattering value is used for contrast |
|---|
| 1144 | calculations.</p> |
|---|
| 1145 | |
|---|
| 1146 | <p class=MsoNormal>Just as for Limits, this information needs to be copied to |
|---|
| 1147 | the other SASD entries in the GSAS-II tree. Do <b style='mso-bidi-font-weight: |
|---|
| 1148 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1149 | minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Copy substances</span></b> |
|---|
| 1150 | from the data window menu and follow the same selection procedure as you used |
|---|
| 1151 | for limits above.</p> |
|---|
| 1152 | |
|---|
| 1153 | <h2><a name="_Ref386699210">Step 4: Set Sample parameters</a> </h2> |
|---|
| 1154 | |
|---|
| 1155 | <p class=MsoNormal><span style='mso-no-proof:yes'>As these data sets were |
|---|
| 1156 | collected from a sequence of samples where there was some variable changed in |
|---|
| 1157 | their preparation, it would be useful to have this information available to |
|---|
| 1158 | GSAS-II for subsequent analysis. Select Sample parameters from the data tree. |
|---|
| 1159 | Is shows (for </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1160 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1161 | mso-hansi-theme-font:minor-latin'>SASD <span class=GramE>S49_Ludox6_1pct.dat</span>)<o:p></o:p></span></b></p> |
|---|
| 1162 | |
|---|
| 1163 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1164 | id="Picture_x0020_9" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:291.75pt; |
|---|
| 1165 | height:388.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1166 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png" |
|---|
| 1167 | o:title=""/> |
|---|
| 1168 | </v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518 |
|---|
| 1169 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image009.png" |
|---|
| 1170 | v:shapes="Picture_x0020_9"><![endif]><o:p></o:p></span></p> |
|---|
| 1171 | |
|---|
| 1172 | <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> |
|---|
| 1173 | |
|---|
| 1174 | <p class=MsoNormal><span style='mso-no-proof:yes'>NB: we will not be needing to |
|---|
| 1175 | select the </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1176 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1177 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Material</span></b><span |
|---|
| 1178 | style='mso-no-proof:yes'> for this analysis; material selection is only |
|---|
| 1179 | required for </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1180 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1181 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Size distribution</span></b><span |
|---|
| 1182 | style='mso-no-proof:yes'> analysis. Notice that the last three column names can |
|---|
| 1183 | be changed; pick the first one and change it to </span><b style='mso-bidi-font-weight: |
|---|
| 1184 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1185 | minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>fraction</span></b><span |
|---|
| 1186 | style='mso-no-proof:yes'>. Then enter </span><b style='mso-bidi-font-weight: |
|---|
| 1187 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1188 | minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>0.01</span></b><span |
|---|
| 1189 | style='mso-no-proof:yes'> which corresponds to the </span><b style='mso-bidi-font-weight: |
|---|
| 1190 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1191 | minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>1pct</span></b><span |
|---|
| 1192 | style='mso-no-proof:yes'> in the file name. The data window should look like<o:p></o:p></span></p> |
|---|
| 1193 | |
|---|
| 1194 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1195 | id="Picture_x0020_10" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:291.75pt; |
|---|
| 1196 | height:388.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1197 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png" |
|---|
| 1198 | o:title=""/> |
|---|
| 1199 | </v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518 |
|---|
| 1200 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image010.png" |
|---|
| 1201 | v:shapes="Picture_x0020_10"><![endif]><o:p></o:p></span></p> |
|---|
| 1202 | |
|---|
| 1203 | <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> |
|---|
| 1204 | |
|---|
| 1205 | <p class=MsoNormal><span style='mso-no-proof:yes'>Now do the same for the </span><b |
|---|
| 1206 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1207 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-no-proof: |
|---|
| 1208 | yes'>Sample Parameters</span></b><span style='mso-no-proof:yes'> for the other |
|---|
| 1209 | data sets putting in the correct fraction from the respective file names. If |
|---|
| 1210 | you first </span><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1211 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1212 | minor-latin;mso-no-proof:yes'>Copy</span></b><span style='mso-no-proof:yes'> |
|---|
| 1213 | this one to the others, that will save you the step of changing the names. You |
|---|
| 1214 | will end up on the </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1215 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1216 | mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>Sample parameters</span></b><span |
|---|
| 1217 | style='mso-no-proof:yes'> page for </span><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1218 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1219 | mso-hansi-theme-font:minor-latin'>SASD S53_Ludox6_40pct.dat </span></b>GSAS-II |
|---|
| 1220 | data tree.</p> |
|---|
| 1221 | |
|---|
| 1222 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1223 | id="Picture_x0020_11" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:291.75pt; |
|---|
| 1224 | height:388.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1225 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png" |
|---|
| 1226 | o:title=""/> |
|---|
| 1227 | </v:shape><![endif]--><![if !vml]><img border=0 width=389 height=518 |
|---|
| 1228 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image011.png" |
|---|
| 1229 | v:shapes="Picture_x0020_11"><![endif]></span><span |
|---|
| 1230 | style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><o:p></o:p></span></p> |
|---|
| 1231 | |
|---|
| 1232 | <h2>Step 5: Set Model parameters </h2> |
|---|
| 1233 | |
|---|
| 1234 | <p class=MsoNormal>Looking at the data plot (<span class=GramE>key <b |
|---|
| 1235 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1236 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b></span> |
|---|
| 1237 | to select a single data set) for <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1238 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1239 | mso-hansi-theme-font:minor-latin'>SASD S53_Ludox6_40pct.dat</span></b>, one |
|---|
| 1240 | sees just one feature with oscillations at higher Q. This is the signal for a |
|---|
| 1241 | non-dilute <span class=SpellE>scatterer</span>. </p> |
|---|
| 1242 | |
|---|
| 1243 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1244 | id="Picture_x0020_21" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt; |
|---|
| 1245 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1246 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png" |
|---|
| 1247 | o:title=""/> |
|---|
| 1248 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1249 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image012.png" |
|---|
| 1250 | v:shapes="Picture_x0020_21"><![endif]></span></p> |
|---|
| 1251 | |
|---|
| 1252 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1253 | |
|---|
| 1254 | <p class=MsoNormal>In the data window switch <b style='mso-bidi-font-weight: |
|---|
| 1255 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1256 | minor-latin;mso-hansi-theme-font:minor-latin'>Size dist.</span></b> to <b |
|---|
| 1257 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1258 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Particle fit</span></b>, |
|---|
| 1259 | and add a reasonable value (<b style='mso-bidi-font-weight:normal'><span |
|---|
| 1260 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1261 | mso-hansi-theme-font:minor-latin'>0.25</span></b>) for the <b style='mso-bidi-font-weight: |
|---|
| 1262 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1263 | minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>; a |
|---|
| 1264 | horizontal red line will appear. Next do <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1265 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1266 | mso-hansi-theme-font:minor-latin'>Models/Add</span></b>; the window will display |
|---|
| 1267 | a default component; change the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1268 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1269 | mso-hansi-theme-font:minor-latin'>Material</span></b> to <b style='mso-bidi-font-weight: |
|---|
| 1270 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1271 | minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b>. Also change |
|---|
| 1272 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1273 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Matrix</span></b> |
|---|
| 1274 | to <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1275 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Water</span></b>; |
|---|
| 1276 | the calculated contrast should be 175.60 10<sup>20</sup>cm<sup>-4</sup>. The |
|---|
| 1277 | plot will show a green curve corresponding to the default values.</p> |
|---|
| 1278 | |
|---|
| 1279 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1280 | id="Picture_x0020_37" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt; |
|---|
| 1281 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1282 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png" |
|---|
| 1283 | o:title=""/> |
|---|
| 1284 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1285 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image013.png" |
|---|
| 1286 | v:shapes="Picture_x0020_37"><![endif]></span></p> |
|---|
| 1287 | |
|---|
| 1288 | <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> |
|---|
| 1289 | |
|---|
| 1290 | <p class=MsoNormal>The default <span class=SpellE><b style='mso-bidi-font-weight: |
|---|
| 1291 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1292 | minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
|---|
| 1293 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1294 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Mean</span></b> |
|---|
| 1295 | of <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1296 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1e+03</span></b> |
|---|
| 1297 | is too large, try something smaller and increase the <span class=SpellE><b |
|---|
| 1298 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1299 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
|---|
| 1300 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1301 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> |
|---|
| 1302 | (the sliders work well for this). Since this is a non-dilute system, change the |
|---|
| 1303 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1304 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Structure |
|---|
| 1305 | factor</span></b> to <span class=GramE><b style='mso-bidi-font-weight:normal'><span |
|---|
| 1306 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1307 | mso-hansi-theme-font:minor-latin'>Hard</span></b></span><b style='mso-bidi-font-weight: |
|---|
| 1308 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1309 | minor-latin;mso-hansi-theme-font:minor-latin'> sphere</span></b> and set the <b |
|---|
| 1310 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1311 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span |
|---|
| 1312 | class=SpellE>VolFr</span></span></b> to <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1313 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1314 | mso-hansi-theme-font:minor-latin'>0.4</span></b>. Your data window should look |
|---|
| 1315 | something like</p> |
|---|
| 1316 | |
|---|
| 1317 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1318 | id="Picture_x0020_38" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:384.75pt; |
|---|
| 1319 | height:358.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1320 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png" |
|---|
| 1321 | o:title=""/> |
|---|
| 1322 | </v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478 |
|---|
| 1323 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image014.png" |
|---|
| 1324 | v:shapes="Picture_x0020_38"><![endif]></span></p> |
|---|
| 1325 | |
|---|
| 1326 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1327 | |
|---|
| 1328 | <p class=MsoNormal>And the plot will be</p> |
|---|
| 1329 | |
|---|
| 1330 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1331 | id="Picture_x0020_39" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt; |
|---|
| 1332 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1333 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png" |
|---|
| 1334 | o:title=""/> |
|---|
| 1335 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1336 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image015.png" |
|---|
| 1337 | v:shapes="Picture_x0020_39"><![endif]></span><br clear=all style='mso-special-character: |
|---|
| 1338 | line-break'> |
|---|
| 1339 | </p> |
|---|
| 1340 | |
|---|
| 1341 | <p class=MsoNormal>The calculated curve shows oscillations but they are not in |
|---|
| 1342 | the right place and are too broad. Try the <span class=SpellE><b |
|---|
| 1343 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1344 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
|---|
| 1345 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1346 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> <span |
|---|
| 1347 | class=SpellE>StdDev</span></span></b> slider and make it smaller; somewhere |
|---|
| 1348 | about <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1349 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.132</span></b> |
|---|
| 1350 | gives a curve with the right shape but too high. Reduce the <span class=SpellE><b |
|---|
| 1351 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1352 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dist</span></b></span><b |
|---|
| 1353 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1354 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'> Volume</span></b> |
|---|
| 1355 | to improve the match. Shift the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1356 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1357 | mso-hansi-theme-font:minor-latin'>SF <span class=SpellE>Dist</span></span></b> |
|---|
| 1358 | and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1359 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>SF <span |
|---|
| 1360 | class=SpellE>VolFr</span></span></b> as well to get the curves to match. |
|---|
| 1361 | Carefully manipulate each of the sliders to see what effect they have on the |
|---|
| 1362 | calculated curve. With some adjustments I got</p> |
|---|
| 1363 | |
|---|
| 1364 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1365 | id="Picture_x0020_40" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:384.75pt; |
|---|
| 1366 | height:358.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1367 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png" |
|---|
| 1368 | o:title=""/> |
|---|
| 1369 | </v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478 |
|---|
| 1370 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image016.png" |
|---|
| 1371 | v:shapes="Picture_x0020_40"><![endif]></span></p> |
|---|
| 1372 | |
|---|
| 1373 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1374 | |
|---|
| 1375 | <p class=MsoNormal><span class=GramE>to</span> give a pretty nice initial fit.</p> |
|---|
| 1376 | |
|---|
| 1377 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1378 | id="Picture_x0020_41" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt; |
|---|
| 1379 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1380 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png" |
|---|
| 1381 | o:title=""/> |
|---|
| 1382 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1383 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png" |
|---|
| 1384 | v:shapes="Picture_x0020_41"><![endif]></span></p> |
|---|
| 1385 | |
|---|
| 1386 | <h2>Step 6: Initial refinement</h2> |
|---|
| 1387 | |
|---|
| 1388 | <p class=MsoNormal>We can be brave and set all six <b style='mso-bidi-font-weight: |
|---|
| 1389 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1390 | minor-latin;mso-hansi-theme-font:minor-latin'>Refine?</span></b> <span |
|---|
| 1391 | class=GramE>boxes</span> (NB: the one for <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1392 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1393 | mso-hansi-theme-font:minor-latin'>Matrix Volume fraction</span></b> currently |
|---|
| 1394 | does not operate ignore it). Then do <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1395 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1396 | mso-hansi-theme-font:minor-latin'>Models/Fit</span></b>; the least squares very |
|---|
| 1397 | quickly minimizes to give</p> |
|---|
| 1398 | |
|---|
| 1399 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1400 | id="Picture_x0020_42" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt; |
|---|
| 1401 | height:358.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1402 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png" |
|---|
| 1403 | o:title=""/> |
|---|
| 1404 | </v:shape><![endif]--><![if !vml]><img border=0 width=513 height=478 |
|---|
| 1405 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png" |
|---|
| 1406 | v:shapes="Picture_x0020_42"><![endif]></span></p> |
|---|
| 1407 | |
|---|
| 1408 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1409 | |
|---|
| 1410 | <p class=MsoNormal>The console window lists the results</p> |
|---|
| 1411 | |
|---|
| 1412 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1413 | id="Picture_x0020_43" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:549.75pt; |
|---|
| 1414 | height:152.25pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1415 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png" |
|---|
| 1416 | o:title=""/> |
|---|
| 1417 | </v:shape><![endif]--><![if !vml]><img border=0 width=733 height=203 |
|---|
| 1418 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image019.png" |
|---|
| 1419 | v:shapes="Picture_x0020_43"><![endif]></span></p> |
|---|
| 1420 | |
|---|
| 1421 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1422 | |
|---|
| 1423 | <p class=MsoNormal>And the plot shows the fit graphically</p> |
|---|
| 1424 | |
|---|
| 1425 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1426 | id="Picture_x0020_44" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt; |
|---|
| 1427 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1428 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png" |
|---|
| 1429 | o:title=""/> |
|---|
| 1430 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1431 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image020.png" |
|---|
| 1432 | v:shapes="Picture_x0020_44"><![endif]></span></p> |
|---|
| 1433 | |
|---|
| 1434 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1435 | |
|---|
| 1436 | <p class=MsoNormal>The fit is OK except for a region Q~0.03Å<sup>-1</sup>; this |
|---|
| 1437 | is probably due to a failure of the simple hard sphere model in this |
|---|
| 1438 | concentrated system.</p> |
|---|
| 1439 | |
|---|
| 1440 | <h2>Step 7: Sequential refinement</h2> |
|---|
| 1441 | |
|---|
| 1442 | <p class=MsoNormal>We are now ready to try a sequential refinement starting |
|---|
| 1443 | with this fit for the 1<sup>st</sup> data set. <span class=GramE>Do</span> <b |
|---|
| 1444 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1445 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Models/Sequential |
|---|
| 1446 | fit</span></b>; a dialog box will appear for selection of the data sets.</p> |
|---|
| 1447 | |
|---|
| 1448 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1449 | id="_x0000_i1036" type="#_x0000_t75" style='width:240pt;height:232.5pt; |
|---|
| 1450 | visibility:visible;mso-wrap-style:square'> |
|---|
| 1451 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png" |
|---|
| 1452 | o:title=""/> |
|---|
| 1453 | </v:shape><![endif]--><![if !vml]><img border=0 width=320 height=310 |
|---|
| 1454 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image021.png" |
|---|
| 1455 | v:shapes="_x0000_i1036"><![endif]></span></p> |
|---|
| 1456 | |
|---|
| 1457 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1458 | |
|---|
| 1459 | <p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1460 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1461 | mso-hansi-theme-font:minor-latin'>Set <span class=GramE>All</span></span></b>, |
|---|
| 1462 | all boxes will be checked showing selection of the data sets. Then press <b |
|---|
| 1463 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1464 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; |
|---|
| 1465 | a new dialog box will appear</p> |
|---|
| 1466 | |
|---|
| 1467 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1468 | id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt; |
|---|
| 1469 | height:252pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1470 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png" |
|---|
| 1471 | o:title=""/> |
|---|
| 1472 | </v:shape><![endif]--><![if !vml]><img border=0 width=346 height=336 |
|---|
| 1473 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png" |
|---|
| 1474 | v:shapes="Picture_x0020_33"><![endif]></span></p> |
|---|
| 1475 | |
|---|
| 1476 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1477 | |
|---|
| 1478 | <p class=MsoNormal>This allows you to instruct the sequential refinement to |
|---|
| 1479 | start at the last data set and proceed backwards through them (<b |
|---|
| 1480 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1481 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reverse |
|---|
| 1482 | sequence</span></b>). It also allows you to instruct the sequential refinement |
|---|
| 1483 | to use the current parameters as starting values for the next data set. This |
|---|
| 1484 | works in either direction and facilitates the initial sequential refinements. |
|---|
| 1485 | NB: some sequential refinements do not work well in both directions; in this |
|---|
| 1486 | particular case starting with a fitted 1% pattern and going in reverse through |
|---|
| 1487 | the data fails on the 5% data set. Apparently the change in parameters is too |
|---|
| 1488 | great for the least squares to handle; going in the forward direction works |
|---|
| 1489 | just fine (as you will see next). Select <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1490 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1491 | mso-hansi-theme-font:minor-latin'>Copy from prev.</span></b> and press <b |
|---|
| 1492 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1493 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; |
|---|
| 1494 | the sequential refinement will <span class=GramE>proceed</span> very rapidly |
|---|
| 1495 | displaying results for each data set on the console and finally ending by |
|---|
| 1496 | displaying the <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1497 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1498 | minor-latin'>Sequential results.<o:p></o:p></span></b></p> |
|---|
| 1499 | |
|---|
| 1500 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1501 | id="Picture_x0020_45" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:525pt; |
|---|
| 1502 | height:262.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1503 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png" |
|---|
| 1504 | o:title=""/> |
|---|
| 1505 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=350 |
|---|
| 1506 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image023.png" |
|---|
| 1507 | v:shapes="Picture_x0020_45"><![endif]></span></p> |
|---|
| 1508 | |
|---|
| 1509 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1510 | |
|---|
| 1511 | <p class=MsoNormal>Note the comment in the plot status bar: double click on the |
|---|
| 1512 | <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1513 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span |
|---|
| 1514 | class=GramE>:Volume</span></span></b> and a new plot will appear.</p> |
|---|
| 1515 | |
|---|
| 1516 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1517 | id="Picture_x0020_35" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt; |
|---|
| 1518 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1519 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png" |
|---|
| 1520 | o:title=""/> |
|---|
| 1521 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1522 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image024.png" |
|---|
| 1523 | v:shapes="Picture_x0020_35"><![endif]></span></p> |
|---|
| 1524 | |
|---|
| 1525 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1526 | |
|---|
| 1527 | <p class=MsoNormal>Each point has an error bar extracted from the least squares |
|---|
| 1528 | it represents a 1 σ variation in the value. Now press the <b |
|---|
| 1529 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1530 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>s</span></b> |
|---|
| 1531 | key (or select <b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1532 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1533 | minor-latin'>s</span></b> from the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1534 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1535 | mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear |
|---|
| 1536 | with a selection of parameters to plot along the x-axis. Select <b |
|---|
| 1537 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1538 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b> |
|---|
| 1539 | and the plot will be redrawn (it may require selection of another column & |
|---|
| 1540 | then <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1541 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span |
|---|
| 1542 | class=GramE>:Volume</span></span></b> to make it appear).</p> |
|---|
| 1543 | |
|---|
| 1544 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1545 | id="Picture_x0020_46" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt; |
|---|
| 1546 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1547 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png" |
|---|
| 1548 | o:title=""/> |
|---|
| 1549 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1550 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image025.png" |
|---|
| 1551 | v:shapes="Picture_x0020_46"><![endif]></span></p> |
|---|
| 1552 | |
|---|
| 1553 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1554 | |
|---|
| 1555 | <p class=MsoNormal>It is gratifying how this relation between Volume and the |
|---|
| 1556 | composition is linear. You can now determine the slope & intercept (or fit |
|---|
| 1557 | to some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight: |
|---|
| 1558 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1559 | minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add function</span></b> |
|---|
| 1560 | and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1561 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression |
|---|
| 1562 | Editor</span></b> dialog box will appear.</p> |
|---|
| 1563 | |
|---|
| 1564 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1565 | id="Picture_x0020_47" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:465pt; |
|---|
| 1566 | height:225pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1567 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png" |
|---|
| 1568 | o:title=""/> |
|---|
| 1569 | </v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300 |
|---|
| 1570 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image026.png" |
|---|
| 1571 | v:shapes="Picture_x0020_47"><![endif]></span></p> |
|---|
| 1572 | |
|---|
| 1573 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1574 | |
|---|
| 1575 | <p class=MsoNormal>The pull down in the upper left corner has two choices; |
|---|
| 1576 | select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1577 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Hist<span |
|---|
| 1578 | class=GramE>./</span>Phase</span></b> and a new dialog box will appear giving |
|---|
| 1579 | you choices from the <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1580 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1581 | mso-hansi-theme-font:minor-latin'>Sequential results</span></b> table. Select <b |
|---|
| 1582 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1583 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span |
|---|
| 1584 | class=GramE>:Volume</span></span></b> and the <b style='mso-bidi-font-weight: |
|---|
| 1585 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1586 | minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will |
|---|
| 1587 | reappear.</p> |
|---|
| 1588 | |
|---|
| 1589 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1590 | id="Picture_x0020_48" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:465pt; |
|---|
| 1591 | height:225pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1592 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png" |
|---|
| 1593 | o:title=""/> |
|---|
| 1594 | </v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300 |
|---|
| 1595 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image027.png" |
|---|
| 1596 | v:shapes="Picture_x0020_48"><![endif]></span></p> |
|---|
| 1597 | |
|---|
| 1598 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1599 | |
|---|
| 1600 | <p class=MsoNormal>Next enter the function you wish to use in fitting <b |
|---|
| 1601 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1602 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span |
|---|
| 1603 | class=GramE>:Volume</span></span></b>; enter <b style='mso-bidi-font-weight: |
|---|
| 1604 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1605 | minor-latin;mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b> |
|---|
| 1606 | (equation for a straight line). After a pause, the <b style='mso-bidi-font-weight: |
|---|
| 1607 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1608 | minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will |
|---|
| 1609 | be redrawn allowing you to assign <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1610 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1611 | mso-hansi-theme-font:minor-latin'>b</span></b>, <b style='mso-bidi-font-weight: |
|---|
| 1612 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1613 | minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> & <b |
|---|
| 1614 | style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1615 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b>.</p> |
|---|
| 1616 | |
|---|
| 1617 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1618 | id="Picture_x0020_49" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt; |
|---|
| 1619 | height:225pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1620 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png" |
|---|
| 1621 | o:title=""/> |
|---|
| 1622 | </v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300 |
|---|
| 1623 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image028.png" |
|---|
| 1624 | v:shapes="Picture_x0020_49"><![endif]></span></p> |
|---|
| 1625 | |
|---|
| 1626 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1627 | |
|---|
| 1628 | <p class=MsoNormal>For <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1629 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1630 | mso-hansi-theme-font:minor-latin'>b</span></b> & <b style='mso-bidi-font-weight: |
|---|
| 1631 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1632 | minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> select <span |
|---|
| 1633 | class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: |
|---|
| 1634 | "Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: |
|---|
| 1635 | minor-latin'>Free</span></b></span>; these will be the parameters for your fit. |
|---|
| 1636 | For <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1637 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>x</span></b> |
|---|
| 1638 | select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1639 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>; |
|---|
| 1640 | a new dialog box will appear giving you two choices.</p> |
|---|
| 1641 | |
|---|
| 1642 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1643 | id="Picture_x0020_50" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468.75pt; |
|---|
| 1644 | height:187.5pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1645 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png" |
|---|
| 1646 | o:title=""/> |
|---|
| 1647 | </v:shape><![endif]--><![if !vml]><img border=0 width=625 height=250 |
|---|
| 1648 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png" |
|---|
| 1649 | v:shapes="Picture_x0020_50"><![endif]></span></p> |
|---|
| 1650 | |
|---|
| 1651 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1652 | |
|---|
| 1653 | <p class=MsoNormal>Select the 2<sup>nd</sup> line (<b style='mso-bidi-font-weight: |
|---|
| 1654 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1655 | minor-latin;mso-hansi-theme-font:minor-latin'>fraction
</span></b>); it will |
|---|
| 1656 | appear in blue. Then press <b style='mso-bidi-font-weight:normal'><span |
|---|
| 1657 | style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin; |
|---|
| 1658 | mso-hansi-theme-font:minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight: |
|---|
| 1659 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1660 | minor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will |
|---|
| 1661 | reappear with more information.</p> |
|---|
| 1662 | |
|---|
| 1663 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1664 | id="Picture_x0020_51" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt; |
|---|
| 1665 | height:225pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1666 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png" |
|---|
| 1667 | o:title=""/> |
|---|
| 1668 | </v:shape><![endif]--><![if !vml]><img border=0 width=620 height=300 |
|---|
| 1669 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image030.png" |
|---|
| 1670 | v:shapes="Picture_x0020_51"><![endif]></span></p> |
|---|
| 1671 | |
|---|
| 1672 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1673 | |
|---|
| 1674 | <p class=MsoNormal>Next <span class=GramE>press</span> <b style='mso-bidi-font-weight: |
|---|
| 1675 | normal'><span style='font-family:"Calibri","sans-serif";mso-ascii-theme-font: |
|---|
| 1676 | minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; the equation will |
|---|
| 1677 | be fitted to the data and the results displayed on the console</p> |
|---|
| 1678 | |
|---|
| 1679 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1680 | id="Picture_x0020_31" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:387.75pt; |
|---|
| 1681 | height:107.25pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1682 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png" |
|---|
| 1683 | o:title=""/> |
|---|
| 1684 | </v:shape><![endif]--><![if !vml]><img border=0 width=517 height=143 |
|---|
| 1685 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image031.png" |
|---|
| 1686 | v:shapes="Picture_x0020_31"><![endif]></span></p> |
|---|
| 1687 | |
|---|
| 1688 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1689 | |
|---|
| 1690 | <p class=MsoNormal>And the plot shows the curve (in green) calculated from the |
|---|
| 1691 | best fit, weighted by the <span class=SpellE>esds</span> on the data points, to |
|---|
| 1692 | the model equation for a straight line.</p> |
|---|
| 1693 | |
|---|
| 1694 | <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape |
|---|
| 1695 | id="Picture_x0020_32" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt; |
|---|
| 1696 | height:450pt;visibility:visible;mso-wrap-style:square'> |
|---|
| 1697 | <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png" |
|---|
| 1698 | o:title=""/> |
|---|
| 1699 | </v:shape><![endif]--><![if !vml]><img border=0 width=700 height=600 |
|---|
| 1700 | src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png" |
|---|
| 1701 | v:shapes="Picture_x0020_32"><![endif]></span></p> |
|---|
| 1702 | |
|---|
| 1703 | <p class=MsoNormal><o:p> </o:p></p> |
|---|
| 1704 | |
|---|
| 1705 | <p class=MsoNormal>For this particular experiment there was an expectation that |
|---|
| 1706 | the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif"; |
|---|
| 1707 | mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Volume</span></b>s |
|---|
| 1708 | obtained from the SASD model fits would match the makeup concentrations for |
|---|
| 1709 | these samples so that the slope for this plot would be unity. One possible |
|---|
| 1710 | explanation for the discrepancy is that the silica particles are partially |
|---|
| 1711 | hydrated thus reducing the contrast from 175.6x10<sup>20</sup> cm<sup>-4</sup> |
|---|
| 1712 | to something like 98x10<sup>20</sup>cm<sup>-4</sup>.</p> |
|---|
| 1713 | |
|---|
| 1714 | </div> |
|---|
| 1715 | |
|---|
| 1716 | </body> |
|---|
| 1717 | |
|---|
| 1718 | </html> |
|---|
