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- Jun 8, 2021 5:11:43 PM (2 years ago)
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Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II.htm
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mso-style-priority:99; 1411 mso-style-parent:""; 1412 mso-padding-alt:0in 5.4pt 0in 5.4pt; 1413 mso-para-margin:0in; 1414 mso-pagination:widow-orphan; 1415 font-size:10.0pt; 1416 font-family:"Calibri",sans-serif; 1417 mso-ascii-font-family:Calibri; 1418 mso-ascii-theme-font:minor-latin; 1419 mso-hansi-font-family:Calibri; 1420 mso-hansi-theme-font:minor-latin; 1421 mso-bidi-font-family:"Times New Roman"; 1422 mso-bidi-theme-font:minor-bidi;} 1423 </style> 1424 <![endif]--><!--[if gte mso 9]><xml> 1425 <o:shapedefaults v:ext="edit" spidmax="1027"/> 1426 </xml><![endif]--><!--[if gte mso 9]><xml> 1427 <o:shapelayout v:ext="edit"> 1428 <o:idmap v:ext="edit" data="1"/> 1429 </o:shapelayout></xml><![endif]--> 265 1430 </head> 266 1431 267 <body lang=EN-US link=blue vlink=purple style='word-wrap:break-word'> 1432 <body lang=EN-US link=blue vlink=purple style='tab-interval:.5in;word-wrap: 1433 break-word'> 268 1434 269 1435 <div class=WordSection1> 270 1436 271 1437 <h1 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: 272 0in;line-height:115%'>Texture analysis of 2D data in GSAS-II</h1> 273 274 <p class=MsoNormal style='margin-bottom:0in'><BL><span style='font-family:Symbol'>·</span> 275 <b>A video version of this tutorial is available at <a 1438 0in;line-height:115%'>Texture analysis of 2D data in GSAS-II<o:p></o:p></h1> 1439 1440 <p class=MsoNormal style='margin-bottom:0in'><BL><span style='font-family:Symbol; 1441 mso-ascii-font-family:"Times New Roman";mso-fareast-font-family:Calibri; 1442 mso-fareast-theme-font:minor-latin'>·</span><span style='mso-fareast-font-family: 1443 Calibri;mso-fareast-theme-font:minor-latin'><span style='mso-spacerun:yes'> 1444 </span><b>A video version of this tutorial is available at <a 276 1445 href="https://anl.box.com/v/Textureanalysisof2DdatainGSAS-" target="_blank">https://anl.box.com/v/Textureanalysisof2DdatainGSAS-</a></b> 277 </p> 278 279 <p class=MsoNormal style='margin-bottom:0in'><span style='font-family:Symbol'>·</span> 280 Exercise files are found <a href="data/" target="_blank">here</a> </p> 1446 <o:p></o:p></span></p> 1447 1448 <p class=MsoNormal style='margin-bottom:0in'><span class=GramE><span 1449 style='font-family:Symbol;mso-ascii-font-family:"Times New Roman";mso-fareast-font-family: 1450 Calibri;mso-fareast-theme-font:minor-latin'>·</span><span style='mso-fareast-font-family: 1451 Calibri;mso-fareast-theme-font:minor-latin'><span style='mso-spacerun:yes'> 1452 </span>Exercise</span></span><span style='mso-fareast-font-family:Calibri; 1453 mso-fareast-theme-font:minor-latin'> files are found <a href="data/" 1454 target="_blank">here</a> <o:p></o:p></span></p> 281 1455 282 1456 </BL> … … 288 1462 analysis using GSAS-II employs spherical harmonics modeling, as described by 289 1463 Bunge, "Texture Analysis in Materials Science" (1982), and 290 implemented by Von Dreele, J. Appl. Cryst., <b>30</b>, 517-525 (1997) in GSAS. 291 The even part of the orientation distribution function (ODF) via the general 292 axis equation</p> 293 294 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 295 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=357 296 height=56 297 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image001.png"></span></p> 1464 implemented by Von Dreele, J. Appl. <span class=SpellE>Cryst</span>., <b 1465 style='mso-bidi-font-weight:normal'>30</b>, 517-525 (1997) in GSAS. The even 1466 part of the orientation distribution function (ODF) via the general axis 1467 equation</p> 1468 1469 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 1470 m:val="left"/></m:oMathParaPr><m:oMath><i style='mso-bidi-font-style:normal'><span 1471 style='font-family:"Cambria Math",serif'><m:r>A</m:r></span></i><m:d><m:dPr><span 1472 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1473 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1474 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 1475 normal'><span style='font-family:"Cambria Math",serif'><m:r>h</m:r><m:r>,</m:r><m:r>y</m:r></span></i></m:e></m:d><i 1476 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=1+</m:r></span></i><m:nary><m:naryPr><m:chr 1477 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 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1488 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 1489 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i 1490 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>4</m:r><m:r>π</m:r></span></i></m:num><m:den><i 1491 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r><m:r>L</m:r><m:r>+1</m:r></span></i></m:den></m:f><m:nary><m:naryPr><m:chr 1492 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family: 1493 "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-fareast-font-family: 1494 "Times New Roman";mso-hansi-font-family:"Cambria Math";font-style:italic; 1495 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 1496 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 1497 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:nary><m:naryPr><m:chr 1498 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family: 1499 "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-fareast-font-family: 1500 "Times New Roman";mso-hansi-font-family:"Cambria Math";font-style:italic; 1501 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 1502 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 1503 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span 1504 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1505 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 1506 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 1507 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 1508 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1509 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>mn</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary></m:e></m:nary><m:sSubSup><m:sSubSupPr><span 1510 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1511 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 1512 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 1513 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1514 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1515 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary><i 1516 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(h)</m:r></span></i><m:sSubSup><m:sSubSupPr><span 1517 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1518 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 1519 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 1520 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1521 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1522 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r></span></i></m:sup></m:sSubSup><i 1523 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>y</m:r><m:r>)</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 1524 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1525 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 1526 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shapetype 1527 id="_x0000_t75" coordsize="21600,21600" o:spt="75" o:preferrelative="t" 1528 path="m@4@5l@4@11@9@11@9@5xe" filled="f" stroked="f"> 1529 <v:stroke joinstyle="miter"/> 1530 <v:formulas> 1531 <v:f eqn="if lineDrawn pixelLineWidth 0"/> 1532 <v:f eqn="sum @0 1 0"/> 1533 <v:f eqn="sum 0 0 @1"/> 1534 <v:f eqn="prod @2 1 2"/> 1535 <v:f eqn="prod @3 21600 pixelWidth"/> 1536 <v:f eqn="prod @3 21600 pixelHeight"/> 1537 <v:f eqn="sum @0 0 1"/> 1538 <v:f eqn="prod @6 1 2"/> 1539 <v:f eqn="prod @7 21600 pixelWidth"/> 1540 <v:f eqn="sum @8 21600 0"/> 1541 <v:f eqn="prod @7 21600 pixelHeight"/> 1542 <v:f eqn="sum @10 21600 0"/> 1543 </v:formulas> 1544 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1545 <o:lock v:ext="edit" aspectratio="t"/> 1546 </v:shapetype><v:shape id="_x0000_i1025" type="#_x0000_t75" style='width:267.75pt; 1547 height:42pt'> 1548 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image001.png" 1549 o:title="" chromakey="white"/> 1550 </v:shape><![endif]--><![if !vml]><img width=357 height=56 1551 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image051.png" 1552 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 298 1553 299 1554 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 300 1555 margin-left:0in;line-height:115%'>is used to give the intensity corrections due 301 to texture. The two harmonic terms, <span 302 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 303 top:3.0pt'><img width=43 height=35 304 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image002.png"></span> and 305 <span 306 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 307 top:3.0pt'><img width=40 height=35 308 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image003.png"></span>, 309 take on values according to the crystal and sample symmetries, respectively, 310 and thus the two inner summations are over only the resulting unique, nonzero 311 harmonic terms. These unique terms are automatically selected by GSAS-II 312 according to the space group symmetry and the user chosen sample symmetry. The 313 available sample symmetries are cylindrical symmetry, 2/m, mmm and no symmetry. 314 The choice of sample symmetry profoundly affects the selection of harmonic 315 coefficients. For example, in the case of cylindrical sample symmetry (fiber 316 texture) only <span 317 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 318 top:3.0pt'><img width=39 height=35 319 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image004.png"></span> terms 320 are nonzero so the rest are excluded from the summations and the set of <span 321 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 322 top:3.0pt'><img width=28 height=35 323 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image005.png"></span>coefficients 324 is sufficient to describe the effect on the diffraction patterns due to 325 texture. The crystal harmonic factor, <span 326 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 327 top:3.0pt'><img width=43 height=35 328 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image006.png"></span>, 329 is defined for each reflection, h, <i>via</i> polar and azimuthal coordinates (<span 1556 to texture. The two harmonic terms, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1557 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1558 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1559 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1560 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1561 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1562 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 1563 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1564 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1565 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 1566 normal'><span style='font-family:"Cambria Math",serif'><m:r>h</m:r></span></i></m:e></m:d></m:oMath><![endif]--><![if !msEquation]><span 1567 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1568 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1569 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1570 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1571 type="#_x0000_t75" style='width:32.25pt;height:26.25pt'> 1572 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image052.png" 1573 o:title="" chromakey="white"/> 1574 </v:shape><![endif]--><![if !vml]><img width=43 height=35 1575 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image053.png" 1576 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 1577 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1578 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1579 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1580 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1581 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1582 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1583 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r></span></i></m:sup></m:sSubSup><i 1584 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>y</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1585 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1586 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1587 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1588 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1589 type="#_x0000_t75" style='width:30pt;height:26.25pt'> 1590 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image054.png" 1591 o:title="" chromakey="white"/> 1592 </v:shape><![endif]--><![if !vml]><img width=40 height=35 1593 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image055.png" 1594 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, take on values according 1595 to the crystal and sample symmetries, respectively, and thus the two inner 1596 summations are over only the resulting unique, nonz<span class=SpellE>ero</span> 1597 harmonic terms. These unique terms are automatically selected by <span 1598 style='mso-bidi-font-weight:bold'>GSAS-II</span> according to the space group 1599 symmetry and the user chosen sample symmetry. The available sample symmetries 1600 are cylindrical symmetry, 2/m, mmm and no symmetry. The choice of sample 1601 symmetry profoundly affects the selection of harmonic coefficients. For 1602 example, in the case of cylindrical sample symmetry (fiber texture) only <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1603 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1604 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1605 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1606 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1607 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1608 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:sup></m:sSubSup><i 1609 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>y</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1610 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1611 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1612 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1613 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1614 type="#_x0000_t75" style='width:29.25pt;height:26.25pt'> 1615 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image056.png" 1616 o:title="" chromakey="white"/> 1617 </v:shape><![endif]--><![if !vml]><img width=39 height=35 1618 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image057.png" 1619 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 1620 style='mso-spacerun:yes'> </span>terms are nonzero so the rest are excluded 1621 from the summations and the set of <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1622 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1623 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1624 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1625 normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 1626 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1627 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r><m:r>0</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span 1628 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1629 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1630 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1631 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1632 type="#_x0000_t75" style='width:21pt;height:26.25pt'> 1633 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image058.png" 1634 o:title="" chromakey="white"/> 1635 </v:shape><![endif]--><![if !vml]><img width=28 height=35 1636 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image059.png" 1637 v:shapes="_x0000_i1025"><![endif]></span><![endif]>coefficients is sufficient 1638 to describe the effect on the diffraction patterns due to texture. The crystal 1639 harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1640 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1641 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1642 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1643 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1644 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1645 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><i 1646 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(h)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1647 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1648 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1649 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1650 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1651 type="#_x0000_t75" style='width:32.25pt;height:26.25pt'> 1652 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image060.png" 1653 o:title="" chromakey="white"/> 1654 </v:shape><![endif]--><![if !vml]><img width=43 height=35 1655 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image061.png" 1656 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, is defined for each 1657 reflection, h, <i>via</i> polar and azimuthal coordinates (<span 330 1658 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>) 331 1659 of a unit vector coincident with h relative to the reciprocal lattice. For most 332 1660 crystal symmetries, <span style='font-family:Symbol'>f</span> is the angle 333 between h and the n-th order major rotation axis of the space group (usually 334 the c-axis) and <span style='font-family:Symbol'>b</span> is the angle between 335 the projections of h and any secondary axis (usually the a-axis) onto the 336 normal plane. In a similar way the sample harmonic factor, <span 337 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 338 top:3.0pt'><img width=40 height=35 339 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image003.png"></span>, 340 is defined according to polar and azimuthal coordinates (<span 341 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>) 342 of a unit vector coincident with the diffraction vector relative to a 343 coordinate system attached to the external form of the sample. For example, in 344 the case of a rolled steel plate having mmm symmetry, the polar angle, <span 345 style='font-family:Symbol'>y</span>, is frequently measured from the normal 346 direction (ND) and <span style='font-family:Symbol'>g</span> is then measured 347 from the rolling direction (RD) in the TD (transverse direction) - RD plane. 348 Thus, the general axis equation becomes</p> 1661 between h and the n-<span class=SpellE>th</span> order major rotation axis of 1662 the space group (usually the c-axis) and <span style='font-family:Symbol'>b</span> 1663 is the angle between the projections of h and any secondary axis (usually the 1664 a-axis) onto the normal plane.<span style='mso-spacerun:yes'> </span>In a 1665 similar way the sample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1666 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1667 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1668 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1669 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1670 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1671 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r></span></i></m:sup></m:sSubSup><i 1672 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>y</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1673 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1674 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1675 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1676 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1677 type="#_x0000_t75" style='width:30pt;height:26.25pt'> 1678 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image054.png" 1679 o:title="" chromakey="white"/> 1680 </v:shape><![endif]--><![if !vml]><img width=40 height=35 1681 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image055.png" 1682 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, is defined according to 1683 polar and azimuthal coordinates (<span style='font-family:Symbol'>y</span>, <span 1684 style='font-family:Symbol'>g</span>) of a unit vector coincident with the 1685 diffraction vector relative to a coordinate system attached to the external 1686 form of the sample. For example, in the case of a rolled steel plate having mmm 1687 symmetry, the polar angle, <span style='font-family:Symbol'>y</span>, is 1688 frequently measured from the normal direction (ND) and <span style='font-family: 1689 Symbol'>g</span> is then measured from the rolling direction (RD) in the TD 1690 (transverse direction) - RD plane.<span style='mso-spacerun:yes'> </span>Thus, 1691 the general axis equation becomes</p> 349 1692 350 1693 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 351 margin-left:0in;line-height:115%'><span 352 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=428 353 height=72 354 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image007.png"></span><br> 355 <br> 356 </p> 1694 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 1695 m:val="left"/></m:oMathParaPr><m:oMath><i style='mso-bidi-font-style:normal'><span 1696 style='font-family:"Cambria Math",serif'><m:r>A</m:r></span></i><m:d><m:dPr><span 1697 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1698 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1699 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 1700 normal'><span style='font-family:"Cambria Math",serif'><m:r>ϕ</m:r><m:r>,</m:r><m:r>β</m:r><m:r>,</m:r><m:r>ψ</m:r><m:r>,</m:r><m:r>γ</m:r></span></i></m:e></m:d><i 1701 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=1+</m:r></span></i><m:nary><m:naryPr><m:chr 1702 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 1703 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 1704 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 1705 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>=2</m:r></span></i></m:sub><m:sup><m:sSub><m:sSubPr><span 1706 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1707 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1708 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 1709 normal'><span style='font-family:"Cambria Math",serif'><m:r>N</m:r></span></i></m:e><m:sub><i 1710 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub></m:sSub></m:sup><m:e><m:f><m:fPr><span 1711 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1712 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1713 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: 1714 normal'><span style='font-family:"Cambria Math",serif'><m:r>4</m:r><m:r>π</m:r></span></i></m:num><m:den><i 1715 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r><m:r>L</m:r><m:r>+1</m:r></span></i></m:den></m:f></m:e></m:nary><m:nary><m:naryPr><m:chr 1716 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 1717 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 1718 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 1719 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 1720 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:nary><m:naryPr><m:chr 1721 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family: 1722 "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family: 1723 "Cambria Math";font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 1724 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 1725 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span 1726 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1727 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1728 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 1729 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 1730 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1731 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>mn</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary><m:sSubSup><m:sSubSupPr><span 1732 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1733 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1734 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 1735 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1736 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1737 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 1738 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1739 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1740 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 1741 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r></span></i></m:e></m:d></m:e></m:nary><m:sSubSup><m:sSubSupPr><span 1742 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1743 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1744 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1745 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1746 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1747 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r></span></i></m:sup></m:sSubSup><i 1748 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>ψ</m:r><m:r>,</m:r><m:r>γ</m:r><m:r>)</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 1749 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1750 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 1751 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 1752 id="_x0000_i1025" type="#_x0000_t75" style='width:320.95pt;height:54pt'> 1753 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image062.png" 1754 o:title="" chromakey="white"/> 1755 </v:shape><![endif]--><![if !vml]><img width=428 height=72 1756 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image063.png" 1757 v:shapes="_x0000_i1025"><![endif]></span><![endif]><br style='mso-special-character: 1758 line-break'> 1759 <![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'> 1760 <![endif]></p> 357 1761 358 1762 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>In a 359 1763 diffraction experiment the crystal reflection coordinates (<span 360 1764 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>) 361 are determined by the choice of reflection index (hkl) while the sample coordinates 362 (<span style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>) 363 are determined by the sample orientation on the diffractometer.</p> 1765 are determined by the choice of reflection index (<span class=SpellE>hkl</span>) 1766 while the sample coordinates (<span style='font-family:Symbol'>y</span>, <span 1767 style='font-family:Symbol'>g</span>) are determined by the sample orientation 1768 on the diffractometer.</p> 364 1769 365 1770 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 366 1771 margin-left:0in;line-height:115%'>To define the sample coordinates (<span 367 1772 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>), 368 we have defined an instrument coordinate system (I, J, K) such that K is 369 parallel to the diffraction vector and J is coincident with the direction of 370 the incident radiation beam toward the source. We further define a standard set 371 of right-handed goniometer eulerian angles (<span style='font-family:Symbol'>W</span>, 372 <span style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F</span>) 373 so that <span style='font-family:Symbol'>W</span> and <span style='font-family: 374 Symbol'>F</span> are rotations about K and <span style='font-family:Symbol'>C</span> 375 is a rotation about J when <span style='font-family:Symbol'>W</span> <span 376 style='font-family:Symbol'> </span>= 0. Finally, as the sample may be mounted 1773 we have defined an instrument coordinate system (I, J, K) such that K is normal 1774 to the diffraction plane and J is coincident with the direction of the incident 1775 radiation beam toward the source. We further define a standard set of 1776 right-handed <span class=GramE>goniometer</span> <span class=SpellE>eulerian</span> 1777 angles (<span style='font-family:Symbol'>W</span>, <span style='font-family: 1778 Symbol'>C</span>, <span style='font-family:Symbol'>F</span>) so that <span 1779 style='font-family:Symbol'>W</span> and <span style='font-family:Symbol'>F</span> 1780 are rotations about K and <span style='font-family:Symbol'>C</span> is a 1781 rotation about J when <span style='font-family:Symbol'>W</span> <span 1782 style='font-family:Symbol'><span style='mso-spacerun:yes'> </span></span>= 1783 0.<span style='mso-spacerun:yes'> </span>Finally, as the sample may be mounted 377 1784 so that the sample coordinate system (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>) 378 1785 does not coincide with the instrument coordinate system (I, J, K), we define 379 three eulerian sample rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>, 380 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 381 Symbol'>F</span><sub>s</sub>) that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>, 382 K<sub>s</sub>) to (I, J, K). The sample rotation angles are defined so that 383 with the goniometer angles at zero <span style='font-family:Symbol'>W</span><sub>s</sub> 1786 three <span class=SpellE>eulerian</span> sample rotation offset angles (<span 1787 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>, 1788 <span style='font-family:Symbol'>F</span><sub>s</sub>) that describe the 1789 rotation from (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>) to (I, J, K).<span 1790 style='mso-spacerun:yes'> </span>The sample rotation angles are defined so 1791 that with the goniometer angles at zero <span style='font-family:Symbol'>W</span><sub>s</sub> 384 1792 and <span style='font-family:Symbol'>F</span><sub>s</sub> are rotations about K 385 1793 and <span style='font-family:Symbol'>C</span><sub>s</sub> is a rotation about 386 J. The zeros of these three sample rotation angles can be refined as part of 387 the Rietveld analysis to accommodate any angular offset in sample mounting. 388 After including the diffraction angle, <span style='font-family:Symbol'>Q</span>, 389 and a detector azimuthal angle, A, the full rotation matrix, <b>M</b>, is </p> 1794 J.<span style='mso-spacerun:yes'> </span>The zeros of these three sample 1795 rotation angles can be refined as part of the Rietveld analysis to accommodate 1796 any angular offset in sample mounting. After including the diffraction angle, <span 1797 style='font-family:Symbol'>Q</span>, and a detector azimuthal angle, A, the 1798 full rotation matrix, <b style='mso-bidi-font-weight:normal'>M</b>, is <span 1799 style='mso-spacerun:yes'> </span></p> 390 1800 391 1801 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 392 margin-left:0in;line-height:115%'><b>M = -</b><b><span style='font-family:Symbol'>Q</span>A</b><b><span 393 style='font-family:Symbol'>WC</span>(</b><b><span style='font-family:Symbol'>F</span>+</b><b><span 394 style='font-family:Symbol'>F</span><sub>s</sub>)</b><b><span style='font-family: 395 Symbol'>C</span><sub>s</sub></b><b><span style='font-family:Symbol'>W</span><sub>s</sub></b></p> 1802 margin-left:0in;line-height:115%'><b style='mso-bidi-font-weight:normal'>M = -</b><b 1803 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>Q</span>A</b><b 1804 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>WC</span>(</b><b 1805 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>F</span>+</b><b 1806 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>F</span><sub>s</sub>)</b><b 1807 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><span 1808 class=SpellE><sub>s</sub><span style='font-family:Symbol'>W</span><sub>s</sub></span><o:p></o:p></b></p> 396 1809 397 1810 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 402 1815 403 1816 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 404 margin-left:0in;line-height:115%'><i>cos</i>(<span style='font-family:Symbol'>y</span>) 405 = <span 406 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 407 top:15.0pt'><img width=45 height=67 408 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image008.png"></span> and 409 <i>tan</i>(<span style='font-family:Symbol'>g</span>) = <span 410 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 411 top:15.0pt'><img width=107 height=67 412 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image009.png"></span></p> 1817 margin-left:0in;line-height:115%'><span class=GramE><i>cos</i>(</span><span 1818 style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i 1819 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span 1820 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1821 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1822 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:m><m:mPr><m:mcs><m:mc><m:mcPr><m:count 1823 m:val="1"/><m:mcJc m:val="center"/></m:mcPr></m:mc></m:mcs><span 1824 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1825 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1826 normal'><m:ctrlPr></m:ctrlPr></span></m:mPr><m:mr><m:e><i 1827 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1828 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1829 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:e></m:mr></m:m></m:e></m:d></m:oMath><![endif]--><![if !msEquation]><span 1830 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1831 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1832 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1833 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1834 type="#_x0000_t75" style='width:33.75pt;height:50.25pt'> 1835 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image064.png" 1836 o:title="" chromakey="white"/> 1837 </v:shape><![endif]--><![if !vml]><img width=45 height=67 1838 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image065.png" 1839 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 1840 style='mso-spacerun:yes'> </span>and<span style='mso-spacerun:yes'> </span><i>tan</i>(<span 1841 style='font-family:Symbol'>g</span>) = <!--[if gte msEquation 12]><m:oMath><m:f><m:fPr><m:type 1842 m:val="lin"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 1843 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 1844 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i 1845 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span 1846 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1847 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1848 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:m><m:mPr><m:mcs><m:mc><m:mcPr><m:count 1849 m:val="1"/><m:mcJc m:val="center"/></m:mcPr></m:mc></m:mcs><span 1850 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1851 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1852 normal'><m:ctrlPr></m:ctrlPr></span></m:mPr><m:mr><m:e><i 1853 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1854 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1855 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr></m:m></m:e></m:d></m:num><m:den><i 1856 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span 1857 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1858 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1859 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:m><m:mPr><m:mcs><m:mc><m:mcPr><m:count 1860 m:val="1"/><m:mcJc m:val="center"/></m:mcPr></m:mc></m:mcs><span 1861 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1862 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1863 normal'><m:ctrlPr></m:ctrlPr></span></m:mPr><m:mr><m:e><i 1864 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1865 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr><m:mr><m:e><i 1866 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>0</m:r></span></i></m:e></m:mr></m:m></m:e></m:d></m:den></m:f></m:oMath><![endif]--><![if !msEquation]><span 1867 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1868 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1869 top:15.0pt;mso-text-raise:-15.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1870 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1871 type="#_x0000_t75" style='width:80.25pt;height:50.25pt'> 1872 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image066.png" 1873 o:title="" chromakey="white"/> 1874 </v:shape><![endif]--><![if !vml]><img width=107 height=67 1875 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image067.png" 1876 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 413 1877 414 1878 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 415 margin-left:0in;line-height:115%'>The harmonic terms, <span 416 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 417 top:3.0pt'><img width=62 height=35 418 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image010.png"></span> and 419 <span 420 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 421 top:3.0pt'><img width=57 height=35 422 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image011.png"></span>, 423 are developed from</p> 1879 margin-left:0in;line-height:115%'>The harmonic terms, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1880 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1881 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1882 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1883 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1884 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1885 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><i 1886 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1887 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1888 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1889 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1890 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1891 type="#_x0000_t75" style='width:46.5pt;height:26.25pt'> 1892 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image068.png" 1893 o:title="" chromakey="white"/> 1894 </v:shape><![endif]--><![if !vml]><img width=62 height=35 1895 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image069.png" 1896 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 1897 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1898 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1899 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1900 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1901 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1902 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1903 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r></span></i></m:sup></m:sSubSup><i 1904 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>ψ</m:r><m:r>,</m:r><m:r>γ</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1905 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1906 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1907 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1908 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1909 type="#_x0000_t75" style='width:42.75pt;height:26.25pt'> 1910 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image070.png" 1911 o:title="" chromakey="white"/> 1912 </v:shape><![endif]--><![if !vml]><img width=57 height=35 1913 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image071.png" 1914 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, are developed from</p> 424 1915 425 1916 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 426 margin-left:0in;line-height:115%'><span 427 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=220 428 height=56 429 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image012.png"></span></p> 1917 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 1918 m:val="left"/></m:oMathParaPr><m:oMath><m:sSubSup><m:sSubSupPr><span 1919 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1920 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1921 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 1922 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 1923 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1924 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 1925 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1926 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1927 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 1928 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r></span></i></m:e></m:d><i 1929 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:f><m:fPr><span 1930 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1931 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1932 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: 1933 normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:num><m:den><m:rad><m:radPr><m:degHide 1934 m:val="on"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 1935 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 1936 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:radPr><m:deg></m:deg><m:e><i 1937 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r><m:r>π</m:r></span></i></m:e></m:rad></m:den></m:f><m:sSup><m:sSupPr><span 1938 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1939 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1940 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 1941 normal'><span style='font-family:"Cambria Math",serif'><m:r>e</m:r></span></i></m:e><m:sup><i 1942 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>imβ</m:r></span></i></m:sup></m:sSup><m:sSubSup><m:sSubSupPr><span 1943 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1944 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1945 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 1946 m:val="̅"/><span style='font-family:"Cambria Math",serif; 1947 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 1948 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 1949 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 1950 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1951 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 1952 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 1953 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r></span></i><m:func><m:funcPr><span 1954 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1955 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1956 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 1957 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 1958 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 1959 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func><i 1960 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 1961 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1962 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 1963 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 1964 id="_x0000_i1025" type="#_x0000_t75" style='width:165pt;height:42pt'> 1965 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image072.png" 1966 o:title="" chromakey="white"/> 1967 </v:shape><![endif]--><![if !vml]><img width=220 height=56 1968 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image073.png" 1969 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 430 1970 431 1971 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 432 1972 margin-left:0in;line-height:115%'>where the normalized associated Legendre 433 functions, <span 434 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 435 top:3.0pt'><img width=44 height=35 436 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image013.png"></span>, 437 are defined via a Fourier expansion as</p> 1973 functions, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 1974 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1975 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 1976 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 1977 m:val="̅"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 1978 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 1979 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 1980 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 1981 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 1982 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><i 1983 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>x</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 1984 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 1985 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 1986 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 1987 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 1988 type="#_x0000_t75" style='width:33pt;height:26.25pt'> 1989 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image074.png" 1990 o:title="" chromakey="white"/> 1991 </v:shape><![endif]--><![if !vml]><img width=44 height=35 1992 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image075.png" 1993 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, are defined via a Fourier 1994 expansion as</p> 438 1995 439 1996 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 440 margin-left:0in;line-height:115%'><span 441 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=206 442 height=70 443 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image014.png"></span></p> 1997 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 1998 m:val="left"/></m:oMathParaPr><m:oMath><m:sSubSup><m:sSubSupPr><span 1999 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2000 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2001 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2002 m:val="̅"/><span style='font-family:"Cambria Math",serif; 2003 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2004 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2005 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2006 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2007 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2008 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 2009 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2010 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2011 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:func><m:funcPr><span 2012 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2013 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2014 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2015 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2016 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2017 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func></m:e></m:d><i 2018 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:nary><m:naryPr><m:chr 2019 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 2020 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2021 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2022 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>s</m:r><m:r>=0</m:r></span></i></m:sub><m:sup><i 2023 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span 2024 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2025 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2026 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 2027 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>a</m:r><m:r>'</m:r></span></i></m:e><m:sub><i 2028 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2029 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2030 </m:r><m:r>ms</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary><m:func><m:funcPr><span 2031 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2032 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2033 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2034 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2035 m:val="p"/></m:rPr>sin</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2036 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>sφ</m:r><m:r>)</m:r></span></i></m:e></m:func></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2037 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2038 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2039 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2040 id="_x0000_i1025" type="#_x0000_t75" style='width:154.5pt;height:52.5pt'> 2041 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image076.png" 2042 o:title="" chromakey="white"/> 2043 </v:shape><![endif]--><![if !vml]><img width=206 height=70 2044 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image077.png" 2045 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 444 2046 445 2047 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 447 2049 448 2050 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 449 margin-left:0in;line-height:115%'><span 450 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=211 451 height=70 452 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image015.png"></span></p> 2051 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 2052 m:val="left"/></m:oMathParaPr><m:oMath><m:sSubSup><m:sSubSupPr><span 2053 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2054 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2055 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2056 m:val="̅"/><span style='font-family:"Cambria Math",serif; 2057 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2058 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2059 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2060 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2061 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2062 </m:r><m:r>ms</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 2063 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2064 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2065 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:func><m:funcPr><span 2066 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2067 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2068 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2069 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2070 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2071 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func></m:e></m:d><i 2072 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:nary><m:naryPr><m:chr 2073 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 2074 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2075 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2076 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>s</m:r><m:r>=1</m:r></span></i></m:sub><m:sup><i 2077 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span 2078 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2079 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2080 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 2081 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>a</m:r><m:r>'</m:r></span></i></m:e><m:sub><i 2082 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2083 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2084 </m:r><m:r>ms</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary><m:func><m:funcPr><span 2085 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2086 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2087 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2088 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2089 m:val="p"/></m:rPr>sin</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2090 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>sφ</m:r><m:r>)</m:r></span></i></m:e></m:func></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2091 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2092 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2093 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2094 id="_x0000_i1025" type="#_x0000_t75" style='width:158.25pt;height:52.5pt'> 2095 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image078.png" 2096 o:title="" chromakey="white"/> 2097 </v:shape><![endif]--><![if !vml]><img width=211 height=70 2098 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image080.png" 2099 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 453 2100 454 2101 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 455 margin-left:0in;line-height:115%'>for m odd. Each sum is only over either the 456 even or odd values of s, respectively, because of the properties of the Fourier 457 coefficients, <span 458 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 459 top:3.0pt'><img width=33 height=35 460 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image016.png"></span>. 461 These Fourier coefficients are determined so that the definition</p> 2102 margin-left:0in;line-height:115%'>for m odd.<span style='mso-spacerun:yes'> 2103 </span>Each sum is only over either the even or odd values of s, respectively, 2104 because of the properties of the Fourier coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2105 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2106 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2107 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2108 normal'><span style='font-family:"Cambria Math",serif'><m:r>a</m:r><m:r>'</m:r></span></i></m:e><m:sub><i 2109 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2110 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2111 </m:r><m:r>ms</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span 2112 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2113 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2114 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2115 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2116 type="#_x0000_t75" style='width:24.75pt;height:26.25pt'> 2117 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image082.png" 2118 o:title="" chromakey="white"/> 2119 </v:shape><![endif]--><![if !vml]><img width=33 height=35 2120 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image083.png" 2121 v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span 2122 style='mso-spacerun:yes'> </span>These Fourier coefficients are determined so 2123 that the definition</p> 462 2124 463 2125 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 464 margin-left:0in;line-height:115%'><span 465 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=565 466 height=74 467 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image017.png"></span></p> 2126 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 2127 m:val="left"/></m:oMathParaPr><m:oMath><m:sSubSup><m:sSubSupPr><span 2128 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2129 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2130 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2131 m:val="̅"/><span style='font-family:"Cambria Math",serif; 2132 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2133 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2134 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2135 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2136 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2137 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 2138 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2139 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2140 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:func><m:funcPr><span 2141 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2142 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2143 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2144 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2145 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2146 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func></m:e></m:d><i 2147 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:sSubSup><m:sSubSupPr><span 2148 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2149 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2150 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2151 m:val="̅"/><span style='font-family:"Cambria Math",serif; 2152 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2153 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2154 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2155 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2156 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2157 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 2158 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2159 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2160 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 2161 normal'><span style='font-family:"Cambria Math",serif'><m:r>x</m:r></span></i></m:e></m:d><i 2162 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:rad><m:radPr><m:degHide 2163 m:val="on"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 2164 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 2165 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:radPr><m:deg></m:deg><m:e><m:f><m:fPr><span 2166 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2167 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2168 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:d><m:dPr><span 2169 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2170 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2171 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 2172 normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>+</m:r><m:r>m</m:r></span></i></m:e></m:d><i 2173 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>!</m:r></span></i></m:num><m:den><m:d><m:dPr><span 2174 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2175 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2176 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 2177 normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>-</m:r><m:r>m</m:r></span></i></m:e></m:d><i 2178 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>!</m:r></span></i></m:den></m:f></m:e></m:rad><m:rad><m:radPr><m:degHide 2179 m:val="on"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 2180 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 2181 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:radPr><m:deg></m:deg><m:e><m:f><m:fPr><span 2182 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2183 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2184 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: 2185 normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r><m:r>L</m:r><m:r>+1</m:r></span></i></m:num><m:den><i 2186 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:den></m:f></m:e></m:rad><m:f><m:fPr><span 2187 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2188 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2189 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSup><m:sSupPr><span 2190 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2191 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2192 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2193 normal'><span style='font-family:"Cambria Math",serif'><m:r>(-1)</m:r></span></i></m:e><m:sup><i 2194 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>-</m:r><m:r>m</m:r></span></i></m:sup></m:sSup></m:num><m:den><m:sSup><m:sSupPr><span 2195 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2196 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2197 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2198 normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:e><m:sup><i 2199 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup></m:sSup><i 2200 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>!</m:r></span></i></m:den></m:f><m:sSup><m:sSupPr><span 2201 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2202 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2203 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2204 normal'><span style='font-family:"Cambria Math",serif'><m:r>(1-</m:r></span></i><m:sSup><m:sSupPr><span 2205 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2206 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2207 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2208 normal'><span style='font-family:"Cambria Math",serif'><m:r>x</m:r></span></i></m:e><m:sup><i 2209 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i 2210 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i></m:e><m:sup><m:f><m:fPr><m:type 2211 m:val="lin"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 2212 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 2213 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i 2214 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>-</m:r><m:r>m</m:r></span></i></m:num><m:den><i 2215 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:den></m:f></m:sup></m:sSup><m:f><m:fPr><span 2216 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2217 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2218 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:sSup><m:sSupPr><span 2219 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2220 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2221 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2222 normal'><span style='font-family:"Cambria Math",serif'><m:r>d</m:r></span></i></m:e><m:sup><i 2223 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>-</m:r><m:r>m</m:r></span></i></m:sup></m:sSup></m:num><m:den><m:sSup><m:sSupPr><span 2224 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2225 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2226 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2227 normal'><span style='font-family:"Cambria Math",serif'><m:r>dx</m:r></span></i></m:e><m:sup><i 2228 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>-</m:r><m:r>m</m:r></span></i></m:sup></m:sSup></m:den></m:f><m:sSup><m:sSupPr><span 2229 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2230 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2231 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2232 normal'><span style='font-family:"Cambria Math",serif'><m:r>(1-</m:r></span></i><m:sSup><m:sSupPr><span 2233 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2234 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2235 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2236 normal'><span style='font-family:"Cambria Math",serif'><m:r>x</m:r></span></i></m:e><m:sup><i 2237 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup><i 2238 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i></m:e><m:sup><i 2239 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup></m:sSup></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2240 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2241 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2242 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2243 id="_x0000_i1025" type="#_x0000_t75" style='width:423.75pt;height:55.5pt'> 2244 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image084.png" 2245 o:title="" chromakey="white"/> 2246 </v:shape><![endif]--><![if !vml]><img width=565 height=74 2247 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image086.png" 2248 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 468 2249 469 2250 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 470 margin-left:0in;line-height:115%'>is satisfied. Terms of the form <span 471 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 472 top:3.0pt'><img width=148 height=35 473 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image018.png"></span> and 474 <span 475 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 476 top:3.0pt'><img width=134 height=35 477 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image019.png"></span> are 478 combined depending on the symmetry and the value of m along with appropriate 479 normalization coefficients to give the harmonic terms <span 480 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 481 top:3.0pt'><img width=64 height=35 482 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image020.png"></span> and 483 <span 484 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 485 top:3.0pt'><img width=60 height=35 486 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image021.png"></span>. 487 For cubic crystal symmetry, the term <span 488 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 489 top:3.0pt'><img width=64 height=35 490 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image020.png"></span> is 491 obtained directly from the Fourier expansion</p> 2251 margin-left:0in;line-height:115%'>is satisfied.<span style='mso-spacerun:yes'> 2252 </span>Terms of the form <!--[if gte msEquation 12]><m:oMath><m:func><m:funcPr><span 2253 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2254 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2255 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2256 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2257 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2258 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>mβ</m:r><m:r>)</m:r></span></i></m:e></m:func><m:sSubSup><m:sSubSupPr><span 2259 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2260 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2261 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2262 m:val="̅"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 2263 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 2264 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2265 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2266 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2267 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2268 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2269 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r></span></i><m:func><m:funcPr><span 2270 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2271 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2272 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2273 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2274 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2275 normal'><span style='font-family:"Cambria Math",serif'><m:r>mβ</m:r></span></i></m:e></m:func><i 2276 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 2277 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2278 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2279 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2280 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2281 type="#_x0000_t75" style='width:111pt;height:26.25pt'> 2282 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image088.png" 2283 o:title="" chromakey="white"/> 2284 </v:shape><![endif]--><![if !vml]><img width=148 height=35 2285 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image090.png" 2286 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2287 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:func><m:funcPr><span 2288 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2289 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2290 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2291 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2292 m:val="p"/></m:rPr>sin</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2293 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>mβ</m:r><m:r>)</m:r></span></i></m:e></m:func><m:sSubSup><m:sSubSupPr><span 2294 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2295 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2296 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2297 m:val="̅"/><span style='font-family:"Cambria Math",serif;mso-ascii-font-family: 2298 "Cambria Math";mso-hansi-font-family:"Cambria Math";font-style:italic; 2299 mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2300 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2301 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2302 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2303 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2304 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r></span></i><m:func><m:funcPr><span 2305 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2306 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2307 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2308 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2309 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2310 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func><i 2311 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 2312 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2313 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2314 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2315 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2316 type="#_x0000_t75" style='width:100.5pt;height:26.25pt'> 2317 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image092.png" 2318 o:title="" chromakey="white"/> 2319 </v:shape><![endif]--><![if !vml]><img width=134 height=35 2320 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image094.png" 2321 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2322 style='mso-spacerun:yes'> </span>are combined depending on the symmetry and the 2323 value of m along with appropriate no<span class=SpellE>rmalization</span> 2324 coefficients to give the harmonic terms <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2325 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2326 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2327 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2328 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 2329 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2330 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2331 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2332 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 2333 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2334 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2335 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2336 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2337 type="#_x0000_t75" style='width:48pt;height:26.25pt'> 2338 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image096.png" 2339 o:title="" chromakey="white"/> 2340 </v:shape><![endif]--><![if !vml]><img width=64 height=35 2341 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image098.png" 2342 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2343 style='mso-spacerun:yes'> </span>and <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2344 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2345 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2346 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2347 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 2348 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2349 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2350 </m:r><m:r>n</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2351 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>ψ</m:r><m:r>,</m:r><m:r>γ</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 2352 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2353 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2354 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2355 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2356 type="#_x0000_t75" style='width:45pt;height:26.25pt'> 2357 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image100.png" 2358 o:title="" chromakey="white"/> 2359 </v:shape><![endif]--><![if !vml]><img width=60 height=35 2360 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image102.png" 2361 v:shapes="_x0000_i1025"><![endif]></span><![endif]>.<span 2362 style='mso-spacerun:yes'> </span>For cubic crystal symmetry, the term <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2363 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2364 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2365 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2366 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 2367 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2368 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2369 </m:r><m:r>m</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2370 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r><m:r>)</m:r></span></i></m:oMath><![endif]--><![if !msEquation]><span 2371 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2372 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2373 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2374 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2375 type="#_x0000_t75" style='width:48pt;height:26.25pt'> 2376 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image096.png" 2377 o:title="" chromakey="white"/> 2378 </v:shape><![endif]--><![if !vml]><img width=64 height=35 2379 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image098.png" 2380 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2381 style='mso-spacerun:yes'> </span>is obtained directly from the Fourier 2382 expansion</p> 492 2383 493 2384 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 494 margin-left:0in;line-height:115%'><span 495 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=258 496 height=70 497 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image022.png"></span></p> 2385 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 2386 m:val="left"/></m:oMathParaPr><m:oMath><m:sSubSup><m:sSubSupPr><span 2387 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2388 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2389 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2390 normal'><span style='font-family:"Cambria Math",serif'><m:r>k</m:r></span></i></m:e><m:sub><i 2391 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2392 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r></span></i></m:sup></m:sSubSup><m:d><m:dPr><span 2393 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2394 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2395 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i style='mso-bidi-font-style: 2396 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r><m:r>,</m:r><m:r>β</m:r></span></i></m:e></m:d><i 2397 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>=</m:r></span></i><m:nary><m:naryPr><m:chr 2398 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 2399 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2400 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2401 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=0</m:r></span></i></m:sub><m:sup><i 2402 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSubSup><m:sSubSupPr><span 2403 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2404 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2405 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 2406 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>B</m:r></span></i></m:e><m:sub><i 2407 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2408 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>nm</m:r></span></i></m:sup></m:sSubSup></m:e></m:nary><m:sSubSup><m:sSubSupPr><span 2409 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2410 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2411 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><m:acc><m:accPr><m:chr 2412 m:val="̅"/><span style='font-family:"Cambria Math",serif; 2413 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2414 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:accPr><m:e><i 2415 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>P</m:r></span></i></m:e></m:acc></m:e><m:sub><i 2416 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2417 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r> 2418 </m:r><m:r>n</m:r></span></i></m:sup></m:sSubSup><i style='mso-bidi-font-style: 2419 normal'><span style='font-family:"Cambria Math",serif'><m:r>(</m:r></span></i><m:func><m:funcPr><span 2420 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2421 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2422 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2423 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2424 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2425 normal'><span style='font-family:"Cambria Math",serif'><m:r>φ</m:r></span></i></m:e></m:func><i 2426 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>)</m:r></span></i><m:func><m:funcPr><span 2427 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2428 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2429 normal'><m:ctrlPr></m:ctrlPr></span></m:funcPr><m:fName><span 2430 style='font-family:"Cambria Math",serif'><m:r><m:rPr><m:scr m:val="roman"/><m:sty 2431 m:val="p"/></m:rPr>cos</m:r></span></m:fName><m:e><i style='mso-bidi-font-style: 2432 normal'><span style='font-family:"Cambria Math",serif'><m:r>nβ</m:r></span></i></m:e></m:func></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2433 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2434 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2435 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2436 id="_x0000_i1025" type="#_x0000_t75" style='width:193.5pt;height:52.5pt'> 2437 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image104.png" 2438 o:title="" chromakey="white"/> 2439 </v:shape><![endif]--><![if !vml]><img width=258 height=70 2440 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image105.png" 2441 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 498 2442 499 2443 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 500 margin-left:0in;line-height:115%'>using the coefficients, <span 501 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 502 top:3.0pt'><img width=30 height=35 503 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image023.png"></span>, 504 as tabulated by Bunge (1982). </p> 2444 margin-left:0in;line-height:115%'>using the coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2445 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2446 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2447 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2448 normal'><span style='font-family:"Cambria Math",serif'><m:r>B</m:r></span></i></m:e><m:sub><i 2449 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2450 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>nm</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span 2451 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2452 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2453 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2454 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2455 type="#_x0000_t75" style='width:22.5pt;height:26.25pt'> 2456 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image106.png" 2457 o:title="" chromakey="white"/> 2458 </v:shape><![endif]--><![if !vml]><img width=30 height=35 2459 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image108.png" 2460 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, as tabulated by Bunge 2461 (1982). </p> 505 2462 506 2463 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 507 margin-left:0in;line-height:115%'>The Rietveld refinement of texture then proceeds 508 by constructing derivatives of the profile intensities with respect to the 509 allowed harmonic coefficients, <span 510 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 511 top:3.0pt'><img width=29 height=35 512 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image024.png"></span>, 513 and the three sample orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, 514 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 515 Symbol'>F</span><sub>s</sub>, all of which can be adjustable parameters of the 516 refinement. Once the refinement is complete, pole figures for any reflection 517 may be constructed by use of the general axis equation, the refined values for <span 518 style='font-size:12.0pt;font-family:"Times New Roman",serif;position:relative; 519 top:3.0pt'><img width=29 height=35 520 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image024.png"></span> and 521 the sample orientation angles <span style='font-family:Symbol'>W</span><sub>s</sub>, 522 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 523 Symbol'>F</span><sub>s</sub>. </p> 2464 margin-left:0in;line-height:115%'>The Rietveld refinement of texture then 2465 proceeds by constructing derivatives of the profile intensities with respect to 2466 the allowed harmonic coefficients, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2467 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2468 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2469 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2470 normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 2471 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2472 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>mn</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span 2473 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2474 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2475 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2476 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2477 type="#_x0000_t75" style='width:21.75pt;height:26.25pt'> 2478 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image110.png" 2479 o:title="" chromakey="white"/> 2480 </v:shape><![endif]--><![if !vml]><img width=29 height=35 2481 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image112.png" 2482 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample 2483 orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span 2484 style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>, 2485 all of which can be adjustable parameters of the refinement. Once the 2486 refinement is complete, pole figures for any reflection may be constructed by 2487 use of the general axis equation, the refined values for <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2488 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2489 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2490 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i style='mso-bidi-font-style: 2491 normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 2492 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2493 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>mn</m:r></span></i></m:sup></m:sSubSup></m:oMath><![endif]--><![if !msEquation]><span 2494 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2495 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2496 top:3.0pt;mso-text-raise:-3.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2497 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2498 type="#_x0000_t75" style='width:21.75pt;height:26.25pt'> 2499 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image110.png" 2500 o:title="" chromakey="white"/> 2501 </v:shape><![endif]--><![if !vml]><img width=29 height=35 2502 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image112.png" 2503 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2504 style='mso-spacerun:yes'> </span>and the sample orientation angles <span 2505 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>, 2506 <span style='font-family:Symbol'>F</span><sub>s</sub>. </p> 524 2507 525 2508 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 528 2511 529 2512 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 530 margin-left:0in;line-height:115%'><span 531 style='font-size:12.0pt;font-family:"Times New Roman",serif'><img width=241 532 height=72 533 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image025.png"></span></p> 2513 margin-left:0in;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc 2514 m:val="left"/></m:oMathParaPr><m:oMath><i style='mso-bidi-font-style:normal'><span 2515 style='font-family:"Cambria Math",serif'><m:r>J</m:r><m:r>=1+</m:r></span></i><m:nary><m:naryPr><m:chr 2516 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 2517 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2518 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2519 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r><m:r>=2</m:r></span></i></m:sub><m:sup><m:sSub><m:sSubPr><span 2520 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2521 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2522 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2523 normal'><span style='font-family:"Cambria Math",serif'><m:r>N</m:r></span></i></m:e><m:sub><i 2524 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub></m:sSub></m:sup><m:e><m:f><m:fPr><span 2525 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2526 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2527 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: 2528 normal'><span style='font-family:"Cambria Math",serif'><m:r>1</m:r></span></i></m:num><m:den><i 2529 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r><m:r>L</m:r><m:r>+1</m:r></span></i></m:den></m:f></m:e></m:nary><m:nary><m:naryPr><m:chr 2530 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family:"Cambria Math",serif; 2531 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2532 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2533 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>m</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 2534 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:nary><m:naryPr><m:chr 2535 m:val="∑"/><m:limLoc m:val="undOvr"/><span style='font-family: 2536 "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family: 2537 "Cambria Math";font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i 2538 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>n</m:r><m:r>=-</m:r><m:r>L</m:r></span></i></m:sub><m:sup><i 2539 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sup><m:e><m:sSup><m:sSupPr><span 2540 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2541 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2542 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><m:d><m:dPr><m:begChr 2543 m:val="|"/><m:endChr m:val="|"/><span style='font-family:"Cambria Math",serif; 2544 mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math"; 2545 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:sSubSup><m:sSubSupPr><span 2546 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2547 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2548 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubSupPr><m:e><i 2549 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>C</m:r></span></i></m:e><m:sub><i 2550 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>L</m:r></span></i></m:sub><m:sup><i 2551 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>mn</m:r></span></i></m:sup></m:sSubSup></m:e></m:d></m:e><m:sup><i 2552 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif'><m:r>2</m:r></span></i></m:sup></m:sSup></m:e></m:nary></m:e></m:nary></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2553 style='font-size:12.0pt;font-family:"Times New Roman",serif;mso-fareast-font-family: 2554 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2555 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2556 id="_x0000_i1025" type="#_x0000_t75" style='width:180.75pt;height:54pt'> 2557 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image114.png" 2558 o:title="" chromakey="white"/> 2559 </v:shape><![endif]--><![if !vml]><img width=241 height=72 2560 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image116.png" 2561 v:shapes="_x0000_i1025"><![endif]></span><![endif]></p> 534 2562 535 2563 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 544 2572 sample; this can have any of the possible sample symmetries and is the usual 545 2573 result desired for texture analysis. The other is the suite of spherical 546 harmonics terms for cylindrical sample symmetry with the cylinder axis parallel547 to K for each phase in each powder pattern (histogram) and is usually used to 548 accommodate preferred orientation effects in a Rietveld refinement. The former 549 description allows refinement of the sample orientation zeros, <span 550 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>, 551 <span style='font-family:Symbol'>F</span><sub>s</sub>, but the latter 552 description does not (they are assumed to be zero and not refinable). The 553 s ample orientation angles, (<span style='font-family:Symbol'>W</span>, <span554 style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F) </span>are555 specified in the Sample Parameters table in the GSAS-II data tree structure and 556 are applied for eitherdescription.</p>2574 harmonics terms for cylindrical sample symmetry for each phase in each powder 2575 pattern (histogram) and is usually used to accommodate preferred orientation 2576 effects in a Rietveld refinement. The former description allows refinement of 2577 the sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>, 2578 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 2579 Symbol'>F</span><sub>s</sub>, but the latter description does not (they are 2580 assumed to be zero and not refinable). The sample orientation angles, (<span 2581 style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>, 2582 <span style='font-family:Symbol'>F) </span>are specified in the Sample 2583 Parameters table in the GSAS-II data tree structure and are applied for either 2584 description.</p> 557 2585 558 2586 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 559 2587 margin-left:0in;line-height:115%'>In this tutorial we will use both of these 560 descriptions to determine the texture of the two phases in a NiTi shape memory 561 alloy sample with cylindrical symmetry (wire texture) as collected at APS on 562 beam line 1ID-C (data kindly provided by Paul Paradise & Aaron Stebner of 563 Colo. School of Mines). Thus, there are three ways within GSAS-II that can be 564 used for this texture analysis all beginning with the same 2D area detector 565 image. Each will be described in turn after the initial setup of the GSAS-II 566 project, image input & integration.</p> 2588 descriptions to determine the texture of the two phases in a <span 2589 class=SpellE>NiTi</span> shape memory alloy sample with cylindrical symmetry 2590 (wire texture) as collected at APS on beam line 1ID-C (data kindly provided by 2591 Paul Paradise & Aaron <span class=SpellE>Stebner</span> of Colo. School of 2592 Mines). Thus, there are three ways within GSAS-II that can be used for this 2593 texture analysis all beginning with the same 2D area detector image. Each will 2594 be described in turn after the initial setup of the GSAS-II project, image 2595 input & integration.</p> 567 2596 568 2597 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 571 2600 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>If you have 572 2601 not done so already, <u><span style='color:#0070C0'><a 573 href="Starting%20GSAS.htm"><span style='color:windowtext;text-decoration:none'>start 574 GSAS-II</span></a></span></u>. Note that menu entries are listed in <b><span 575 style='font-family:"Calibri",sans-serif'>bold face</span></b> below as <b><span 576 style='font-family:"Calibri",sans-serif'>Help/About GSAS-II</span></b>, which 577 lists first the name of the menu (here <b><span style='font-family:"Calibri",sans-serif'>Help</span></b>) 578 and second the name of the entry in the menu (here <b><span style='font-family: 579 "Calibri",sans-serif'>About GSAS-II</span></b>). </p> 580 581 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Use the <b><span 582 style='font-family:"Calibri",sans-serif'>Import/Image/from GE image file</span></b> 583 menu item to read the data file into the current GSAS-II project. A file 584 selection dialog will be shown; its appearance will depend on your OS. Change 585 the search directory to <b><span style='font-family:"Calibri",sans-serif'>2DTexture/data 586 </span></b>and then select the file <b><span style='font-family:"Calibri",sans-serif'>NDC5_01588_1.ge2</span></b>. 587 An image will appear</p> 588 589 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 590 width=624 height=535 id="Picture 58" 591 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image026.png"></p> 592 593 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and the <b><span 594 style='font-family:"Calibri",sans-serif'>Image Controls</span></b> data page 595 will show</p> 596 597 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 598 width=624 height=389 id="Picture 59" 599 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image027.png"></p> 2602 href="Starting%20GSAS.htm"><span style='color:windowtext;text-decoration:none; 2603 text-underline:none'>start GSAS-II</span></a></span></u>. Note that menu 2604 entries are listed in <b style='mso-bidi-font-weight:normal'><span 2605 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2606 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>bold face</span></b> 2607 below as <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2608 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 2609 minor-latin'>Help/About GSAS-II</span></b>, which lists first the name of the 2610 menu (here <b style='mso-bidi-font-weight:normal'><span style='font-family: 2611 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2612 minor-latin;mso-bidi-theme-font:minor-latin'>Help</span></b>) and second the 2613 name of the entry in the menu (here <b style='mso-bidi-font-weight:normal'><span 2614 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2615 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>About GSAS-II</span></b>). 2616 </p> 2617 2618 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Use the <b 2619 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2620 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Import/Image/from 2621 GE image file</span></b> menu item to read the data file into the current 2622 GSAS-II project. A file selection dialog will be shown; its appearance will 2623 depend on your OS. Change the search directory to <b style='mso-bidi-font-weight: 2624 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2625 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>2DTexture/data 2626 </span></b>and then select the file <b style='mso-bidi-font-weight:normal'><span 2627 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2628 mso-hansi-theme-font:minor-latin'>NDC5_01588_1.ge2</span></b>. An image will 2629 appear</p> 2630 2631 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2632 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_58" 2633 o:spid="_x0000_i1081" type="#_x0000_t75" style='width:468pt;height:401.25pt; 2634 visibility:visible;mso-wrap-style:square'> 2635 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image118.png" 2636 o:title=""/> 2637 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 2638 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image118.png" 2639 v:shapes="Picture_x0020_58"><![endif]></span></p> 2640 2641 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and the <b 2642 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2643 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Image 2644 Controls</span></b> data page will show</p> 2645 2646 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2647 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_59" 2648 o:spid="_x0000_i1080" type="#_x0000_t75" style='width:468pt;height:291.75pt; 2649 visibility:visible;mso-wrap-style:square'> 2650 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image120.png" 2651 o:title=""/> 2652 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2653 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image122.png" 2654 v:shapes="Picture_x0020_59"><![endif]></span></p> 600 2655 601 2656 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The detector 602 was previously calibrated and the coefficients are stored in a file found by 603 doing <b><span style='font-family:"Calibri",sans-serif'>Parms/Load Controls</span></b> 604 from the <b><span style='font-family:"Calibri",sans-serif'>Image Controls</span></b> 605 menu. A file selection popup will appear showing <b><span style='font-family: 606 "Calibri",sans-serif'>NDC5.imctrl</span></b>; select it and press <b><span 607 style='font-family:"Calibri",sans-serif'>Open</span></b>. The <b><span 608 style='font-family:"Calibri",sans-serif'>Image Controls</span></b> window will 609 be repainted with the new values and the image will be redrawn.</p> 610 611 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 612 width=624 height=389 id="Picture 60" 613 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image028.png"></p> 2657 was previously <span class=GramE>calibrated</span> and the coefficients are 2658 stored in a file found by doing <span class=SpellE><b style='mso-bidi-font-weight: 2659 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2660 minor-latin;mso-hansi-theme-font:minor-latin'>Parms</span></b></span><b 2661 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2662 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>/Load 2663 Controls</span></b> from the <b style='mso-bidi-font-weight:normal'><span 2664 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2665 mso-hansi-theme-font:minor-latin'>Image Controls</span></b> menu. A file 2666 selection popup will appear showing <b style='mso-bidi-font-weight:normal'><span 2667 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2668 mso-hansi-theme-font:minor-latin'>NDC5.imctrl</span></b>; select it and press <b 2669 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2670 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>. 2671 The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2672 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Image 2673 Controls</span></b> window will be repainted with the new values and the image 2674 will be redrawn.</p> 2675 2676 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2677 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_60" 2678 o:spid="_x0000_i1079" type="#_x0000_t75" style='width:468pt;height:291.75pt; 2679 visibility:visible;mso-wrap-style:square'> 2680 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image124.png" 2681 o:title=""/> 2682 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2683 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image126.png" 2684 v:shapes="Picture_x0020_60"><![endif]></span></p> 614 2685 615 2686 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The detail in 616 the image can be enhanced by lowering the <b><span style='font-family:"Calibri",sans-serif'>Max 617 intensity</span></b> (<b><span style='font-family:"Calibri",sans-serif'>15000</span></b> 2687 the image can be enhanced by lowering the <b style='mso-bidi-font-weight:normal'><span 2688 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2689 mso-hansi-theme-font:minor-latin'>Max intensity</span></b> (<b 2690 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2691 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>15000</span></b> 618 2692 is suitable) and shows that the diffraction rings show the effect of texture 619 2693 and that the image has a fairly high background. Placing the cursor in the 620 2694 corners or inside the inner ring shows a background >1700. This can be 621 suppressed by adjusting the <b><span style='font-family:"Calibri",sans-serif'>Flat 622 Bkg</span></b> (I chose <b><span style='font-family:"Calibri",sans-serif'>1700</span></b> 2695 suppressed by adjusting the <b style='mso-bidi-font-weight:normal'><span 2696 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2697 mso-hansi-theme-font:minor-latin'>Flat <span class=SpellE>Bkg</span></span></b> 2698 (I chose <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2699 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1700</span></b> 623 2700 for this). The image will now show the rings much more clearly.</p> 624 2701 625 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 626 width=624 height=522 id="Picture 61" 627 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image029.png"></p> 2702 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2703 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_61" 2704 o:spid="_x0000_i1078" type="#_x0000_t75" style='width:468pt;height:391.5pt; 2705 visibility:visible;mso-wrap-style:square'> 2706 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image128.png" 2707 o:title=""/> 2708 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2709 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image130.png" 2710 v:shapes="Picture_x0020_61"><![endif]></span></p> 628 2711 629 2712 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>For texture 630 2713 analysis we will need to integrate the image into a number of slices sampling 631 2714 the changing ring intensity with azimuthal angle. Also note that the image 632 seems to have <b><span style='font-family:"Calibri",sans-serif'>mm</span></b> 633 symmetry so that the unique part of this intensity variation covers 0-90° of 634 azimuth. In addition the ring intensity variation is such that using 10° slices 635 will capture it reasonably well. However, we want to include both 0° and 90° as 636 slice centers. Thus there will be 10 slices beginning at -5° and ending at 95°. 637 Check the <b><span style='font-family:"Calibri",sans-serif'>Show integration 638 limits?</span></b> box and uncheck the <b><span style='font-family:"Calibri",sans-serif'>Do 639 full integration? </span></b>box, enter <b><span style='font-family:"Calibri",sans-serif'>10</span></b> 640 in the <b><span style='font-family:"Calibri",sans-serif'>No. azimuth bins</span></b>, 641 enter <b><span style='font-family:"Calibri",sans-serif'>-5</span></b> in the <b><span 642 style='font-family:"Calibri",sans-serif'>Start azimuth</span></b> box (it will 643 change to 355) and enter <b><span style='font-family:"Calibri",sans-serif'>455</span></b> 644 in the <b><span style='font-family:"Calibri",sans-serif'>End azimuth</span></b> 2715 seems to have <b style='mso-bidi-font-weight:normal'><span style='font-family: 2716 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2717 minor-latin'>mm</span></b> symmetry so that the unique part of this intensity 2718 variation covers 0-90° of azimuth. In <span class=GramE>addition</span> the 2719 ring intensity variation is such that using 10° slices will capture it reasonably 2720 well. However, we want to include both 0° and 90° as slice centers. <span 2721 class=GramE>Thus</span> there will be 10 slices beginning at -5° and ending at 2722 95°. Check the <b style='mso-bidi-font-weight:normal'><span style='font-family: 2723 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2724 minor-latin'>Show integration limits?</span></b> box and uncheck the <b 2725 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2726 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Do full 2727 integration? </span></b>box, enter <b style='mso-bidi-font-weight:normal'><span 2728 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2729 mso-hansi-theme-font:minor-latin'>10</span></b> in the <b style='mso-bidi-font-weight: 2730 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2731 minor-latin;mso-hansi-theme-font:minor-latin'>No. azimuth bins</span></b>, 2732 enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2733 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-5</span></b> 2734 in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2735 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Start 2736 azimuth</span></b> box (it will change to 355) and enter <b style='mso-bidi-font-weight: 2737 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2738 minor-latin;mso-hansi-theme-font:minor-latin'>455</span></b> in the <b 2739 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2740 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>End azimuth</span></b> 645 2741 box. In addition, recall that the sample was mounted vertically and thus is 646 2742 aligned with the defined laboratory I axis. Thus, the sample coordinate system 647 2743 needs to be rotated by 90° to match the sample axis with the K axis; this can 648 be done by making the <b><span style='font-family:"Calibri",sans-serif'>Sample 649 goniometer axis Chi</span></b> = <b><span style='font-family:"Calibri",sans-serif'>90</span></b>. 2744 be done by making the <b style='mso-bidi-font-weight:normal'><span 2745 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2746 mso-hansi-theme-font:minor-latin'>Sample goniometer axis Chi</span></b> = <b 2747 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2748 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>90</span></b>. 650 2749 The plot will change with each entry and at the end should look like</p> 651 2750 652 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 653 width=624 height=522 id="Picture 62" 654 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image030.png"></p> 655 656 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The <b><span 657 style='font-family:"Calibri",sans-serif'>Image Controls</span></b> should be</p> 658 659 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 660 width=624 height=389 id="Picture 63" 661 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image031.png"></p> 2751 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2752 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_62" 2753 o:spid="_x0000_i1077" type="#_x0000_t75" style='width:468pt;height:391.5pt; 2754 visibility:visible;mso-wrap-style:square'> 2755 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image131.png" 2756 o:title=""/> 2757 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2758 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image132.png" 2759 v:shapes="Picture_x0020_62"><![endif]></span></p> 2760 2761 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The <b 2762 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2763 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Image 2764 Controls</span></b> should be</p> 2765 2766 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2767 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_63" 2768 o:spid="_x0000_i1076" type="#_x0000_t75" style='width:468pt;height:291.75pt; 2769 visibility:visible;mso-wrap-style:square'> 2770 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image133.png" 2771 o:title=""/> 2772 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2773 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image134.png" 2774 v:shapes="Picture_x0020_63"><![endif]></span></p> 662 2775 663 2776 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It turns out 664 2777 that the image contains a number of picked bits (very high count zingers); 665 these can be mostly eliminated by setting the upper threshold in Masks. Select <b><span 666 style='font-family:"Calibri",sans-serif'>Masks</span></b> and the following 667 should appear</p> 668 669 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 670 width=624 height=191 id="Picture 64" 671 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image032.png"></p> 672 673 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Change the <b><span 674 style='font-family:"Calibri",sans-serif'>Upper threshold</span></b> to <b><span 675 style='font-family:"Calibri",sans-serif'>2500</span></b>; the image will be 676 redrawn reflecting this mask. By zooming in you may see isolated red pixels; 677 these are excluded points. Make sure the diffraction rings do not have any 678 excluded points. For example with the level set to 2200 the plot shows</p> 679 680 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 681 width=624 height=522 id="Picture 65" 682 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image033.png"></p> 2778 these can be mostly eliminated by setting the upper threshold in Masks. Select <b 2779 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2780 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Masks</span></b> 2781 and the following should appear</p> 2782 2783 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2784 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_64" 2785 o:spid="_x0000_i1075" type="#_x0000_t75" style='width:467.25pt;height:143.25pt; 2786 visibility:visible;mso-wrap-style:square'> 2787 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image136.png" 2788 o:title=""/> 2789 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=191 2790 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image139.png" 2791 v:shapes="Picture_x0020_64"><![endif]></span></p> 2792 2793 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Change the <b 2794 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2795 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Upper 2796 threshold</span></b> to <b style='mso-bidi-font-weight:normal'><span 2797 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2798 mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn 2799 reflecting this mask. By zooming in you may see isolated red pixels; these are 2800 excluded points. Make sure the diffraction rings do not have any excluded 2801 points. For <span class=GramE>example</span> with the level set to 2200 the 2802 plot shows</p> 2803 2804 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2805 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_65" 2806 o:spid="_x0000_i1074" type="#_x0000_t75" style='width:468pt;height:391.5pt; 2807 visibility:visible;mso-wrap-style:square'> 2808 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image141.png" 2809 o:title=""/> 2810 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2811 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image143.png" 2812 v:shapes="Picture_x0020_65"><![endif]></span></p> 683 2813 684 2814 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>for one ring. 685 This level is too low. Return to the <b><span style='font-family:"Calibri",sans-serif'>Image 686 Controls</span></b> item in the data tree.</p> 2815 This level is too low. Return to the <b style='mso-bidi-font-weight:normal'><span 2816 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2817 mso-hansi-theme-font:minor-latin'>Image Controls</span></b> item in the data 2818 tree.</p> 687 2819 688 2820 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>We are now 689 ready to integrate the image; do <b><span style='font-family:"Calibri",sans-serif'>Integration/Integrate</span></b> 690 from the <b><span style='font-family:"Calibri",sans-serif'>Image Controls</span></b> 691 menu. When done the last powder pattern in the tree will be displayed</p> 692 693 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 694 width=624 height=522 id="Picture 66" 695 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image034.png"></p> 2821 ready to integrate the image; do <b style='mso-bidi-font-weight:normal'><span 2822 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2823 mso-hansi-theme-font:minor-latin'>Integration/Integrate</span></b> from the <b 2824 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2825 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Image 2826 Controls</span></b> menu. When done the last powder pattern in the tree will be 2827 displayed</p> 2828 2829 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2830 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_66" 2831 o:spid="_x0000_i1073" type="#_x0000_t75" style='width:468pt;height:391.5pt; 2832 visibility:visible;mso-wrap-style:square'> 2833 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image145.png" 2834 o:title=""/> 2835 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2836 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image147.png" 2837 v:shapes="Picture_x0020_66"><![endif]></span></p> 696 2838 697 2839 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: 698 0in;line-height:115%'>Step 2. Enter NiTi phases</h2> 699 700 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This NiTi 701 alloy consists of two phases, cubic B2 and monoclinic B19. Their parameters 702 are:<br> 703 B2: <b><span style='font-family:"Calibri",sans-serif'>P m 3 m</span></b>, a=<b><span 704 style='font-family:"Calibri",sans-serif'>3.0240</span></b>, Ni <b><span 705 style='font-family:"Calibri",sans-serif'>0,0,0</span></b>, Ti <b><span 706 style='font-family:"Calibri",sans-serif'>œ,œ,œ</span></b>, U<sub>iso</sub>=<b><span 707 style='font-family:"Calibri",sans-serif'>0.005 </span></b>for both.<br> 708 B19: <b><span style='font-family:"Calibri",sans-serif'>P 1 1 21/m</span></b>, 709 a=<b><span style='font-family:"Calibri",sans-serif'>2.8853</span></b>, b=<b><span 710 style='font-family:"Calibri",sans-serif'>4.6353</span></b>, c=<b><span 711 style='font-family:"Calibri",sans-serif'>4.1368</span></b>, γ=<b><span 712 style='font-family:"Calibri",sans-serif'>96.821</span></b>, Ti <b><span 713 style='font-family:"Calibri",sans-serif'>0.5787,0.2841,Œ</span></b>, Ni <b><span 714 style='font-family:"Calibri",sans-serif'>0.9700,0.8209,Œ</span></b>, U<sub>iso</sub>=<b><span 715 style='font-family:"Calibri",sans-serif'>0.005</span></b> for both.<br> 716 Use the <b><span style='font-family:"Calibri",sans-serif'>Data/Add new phase</span></b> 717 to enter the <b><span style='font-family:"Calibri",sans-serif'>B2</span></b> 718 and <b><span style='font-family:"Calibri",sans-serif'>B19</span></b> phases; 719 then for each enter the information given above on their respective <b><span 720 style='font-family:"Calibri",sans-serif'>General</span></b> and <b><span 721 style='font-family:"Calibri",sans-serif'>Atoms</span></b> tabs. Dont forget 722 the spaces between the axial fields for the space group symbols. On the <b><span 723 style='font-family:"Calibri",sans-serif'>Atoms</span></b> tab begin by doing <b><span 724 style='font-family:"Calibri",sans-serif'>Edit Atoms/Append atom</span></b> 725 twice then fill in the <b><span style='font-family:"Calibri",sans-serif'>Type</span></b> 726 and coordinates boxes. A double click of the <b><span style='font-family:"Calibri",sans-serif'>Type</span></b> 727 entry will show a popup of the Periodic Table; select the element as 728 appropriate. NB: GSAS-II happily takes 1/2 & 1/4 for coordinate values; 729 these get converted to their decimal equivalent upon entry. Note the use of a 730 nonstandard space group designation for B19. When done the B2 Atoms table 731 should look like</p> 732 733 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 734 width=624 height=176 id="Picture 68" 735 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image035.png"></p> 2840 0in;line-height:115%'>Step 2. Enter <span class=SpellE>NiTi</span> phases</h2> 2841 2842 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This <span 2843 class=SpellE>NiTi</span> alloy consists of two phases, cubic B2 and monoclinic 2844 B19. Their parameters are:<br> 2845 B2: <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2846 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>P m 3 m</span></b>, 2847 a=<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2848 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>3.0240</span></b>, 2849 Ni <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2850 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0,0,0</span></b>, 2851 <span class=SpellE>Ti</span> <b style='mso-bidi-font-weight:normal'><span 2852 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2853 mso-hansi-theme-font:minor-latin'>œ,œ,œ</span></b>, <span class=SpellE>U<sub>iso</sub></span>=<b 2854 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2855 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.005 </span></b>for 2856 both.<br> 2857 B19:<span style='mso-spacerun:yes'> </span><b style='mso-bidi-font-weight: 2858 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2859 minor-latin;mso-hansi-theme-font:minor-latin'>P 1 1 21/m</span></b>, a=<b 2860 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2861 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>2.8853</span></b>, 2862 b=<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2863 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>4.6353</span></b>, 2864 c=<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2865 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>4.1368</span></b>, 2866 γ=<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2867 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>96.821</span></b>, 2868 <span class=SpellE>Ti</span> <b style='mso-bidi-font-weight:normal'><span 2869 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2870 mso-hansi-theme-font:minor-latin'>0.5787,0.2841,Œ</span></b>, Ni <b 2871 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2872 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.9700,0.8209,Œ</span></b>, 2873 <span class=SpellE>U<sub>iso</sub></span>=<b style='mso-bidi-font-weight:normal'><span 2874 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2875 mso-hansi-theme-font:minor-latin'>0.005</span></b> for both.<br> 2876 Use the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2877 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data/Add new 2878 phase</span></b> to enter the <b style='mso-bidi-font-weight:normal'><span 2879 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2880 mso-hansi-theme-font:minor-latin'>B2</span></b> and <b style='mso-bidi-font-weight: 2881 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2882 minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> phases; then for 2883 each enter the information given above on their respective <b style='mso-bidi-font-weight: 2884 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2885 minor-latin;mso-hansi-theme-font:minor-latin'>General</span></b> and <b 2886 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2887 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Atoms</span></b> 2888 tabs. Dont forget the spaces between the axial fields for the space group 2889 symbols. On the <b style='mso-bidi-font-weight:normal'><span style='font-family: 2890 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2891 minor-latin'>Atoms</span></b> tab begin by doing <b style='mso-bidi-font-weight: 2892 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2893 minor-latin;mso-hansi-theme-font:minor-latin'>Edit Atoms/Append atom</span></b> 2894 twice then fill in the <b style='mso-bidi-font-weight:normal'><span 2895 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2896 mso-hansi-theme-font:minor-latin'>Type</span></b> and coordinates boxes. A 2897 double click of the <b style='mso-bidi-font-weight:normal'><span 2898 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2899 mso-hansi-theme-font:minor-latin'>Type</span></b> entry will show a popup of 2900 the Periodic Table; select the element as appropriate. NB: GSAS-II happily 2901 takes 1/2 & 1/4 for coordinate values; these get converted to their 2902 decimal equivalent upon entry. Note the use of a nonstandard space group 2903 designation for B19. When done the B2 Atoms table should look like</p> 2904 2905 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2906 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_68" 2907 o:spid="_x0000_i1072" type="#_x0000_t75" style='width:468pt;height:132pt; 2908 visibility:visible;mso-wrap-style:square'> 2909 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image149.png" 2910 o:title=""/> 2911 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 2912 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image151.png" 2913 v:shapes="Picture_x0020_68"><![endif]></span></p> 736 2914 737 2915 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and the B19 738 2916 Atoms table should be</p> 739 2917 740 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 741 width=624 height=176 id="Picture 69" 742 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image036.png"></p> 2918 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2919 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_69" 2920 o:spid="_x0000_i1071" type="#_x0000_t75" style='width:468pt;height:132pt; 2921 visibility:visible;mso-wrap-style:square'> 2922 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image152.png" 2923 o:title=""/> 2924 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 2925 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image154.png" 2926 v:shapes="Picture_x0020_69"><![endif]></span></p> 743 2927 744 2928 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next go to the 745 <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> tab for each 746 phase; there will be a message indicating the lack of data for each. Do <b><span 747 style='font-family:"Calibri",sans-serif'>Edit Phase/Add powder histograms</span></b>, 748 do <b><span style='font-family:"Calibri",sans-serif'>Set All</span></b> on the 749 popup selection window and press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. 750 The window for B2 will change to</p> 751 752 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 753 width=624 height=434 id="Picture 70" 754 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image037.png"></p> 2929 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2930 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 2931 tab for each phase; there will be a message indicating the lack of data for 2932 each. Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2933 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 2934 Phase/Add powder histograms</span></b>, do <b style='mso-bidi-font-weight:normal'><span 2935 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2936 mso-hansi-theme-font:minor-latin'>Set All</span></b> on the popup selection 2937 window and press <b style='mso-bidi-font-weight:normal'><span style='font-family: 2938 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2939 minor-latin'>OK</span></b>. The window for B2 will change to</p> 2940 2941 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2942 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_70" 2943 o:spid="_x0000_i1070" type="#_x0000_t75" style='width:468pt;height:324.75pt; 2944 visibility:visible;mso-wrap-style:square'> 2945 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image156.png" 2946 o:title=""/> 2947 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=433 2948 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image158.png" 2949 v:shapes="Picture_x0020_70"><![endif]></span></p> 755 2950 756 2951 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and that for 757 2952 B19 will be</p> 758 2953 759 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 760 width=624 height=455 id="Picture 71" 761 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image038.png"></p> 2954 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 2955 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_71" 2956 o:spid="_x0000_i1069" type="#_x0000_t75" style='width:468pt;height:341.25pt; 2957 visibility:visible;mso-wrap-style:square'> 2958 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image159.png" 2959 o:title=""/> 2960 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=455 2961 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image160.png" 2962 v:shapes="Picture_x0020_71"><![endif]></span></p> 762 2963 763 2964 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>You should now 764 save the project file (I used <b><span style='font-family:"Calibri",sans-serif'>NiTi</span></b> 765 for a name); we will use this as a starting point for three different texture 766 determinations. Do a <b><span style='font-family:"Calibri",sans-serif'>File/Save 767 project as 768 </span></b> and give it a new name (I used <b><span 769 style='font-family:"Calibri",sans-serif'>NiTi-A</span></b>); this will become 2965 save the project file (I used <span class=SpellE><b style='mso-bidi-font-weight: 2966 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2967 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span> for a 2968 name); we will use this as a starting point for three different texture 2969 determinations. Do a <b style='mso-bidi-font-weight:normal'><span 2970 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2971 mso-hansi-theme-font:minor-latin'>File/Save project as 2972 </span></b> and give it 2973 a new name (I used <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 2974 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2975 mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b style='mso-bidi-font-weight: 2976 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2977 minor-latin;mso-hansi-theme-font:minor-latin'>-A</span></b>); this will become 770 2978 the new project name for the next part of this tutorial.</p> 771 2979 … … 783 2991 histogram has a set of parameters (e.g. phase fraction, size, mustrain & 784 2992 hydrostatic strain) in addition to the ones for each histogram (e.g. background 785 & scale factor). Consequently the total number of parameters can build up786 very quickly in this method of analysis. The other two methods seek to reduce 787 this problem by splitting the fitting into a sequential refinement (histogram 788 by histogram) step followed by a texture fitting step.</p>2993 & scale factor). <span class=GramE>Consequently</span> the total number of 2994 parameters can build up very quickly in this method of analysis. The other two 2995 methods seek to reduce this problem by splitting the fitting into a sequential 2996 refinement (histogram by histogram) step followed by a texture fitting step.</p> 789 2997 790 2998 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 793 3001 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>In the initial 794 3002 refinement we need to vary the phase fraction for each phase/histogram and the 795 background in each histogram. To start select any <b><span style='font-family: 796 "Calibri",sans-serif'>PWDR</span></b> entry from the GSAS-II data tree and 797 select <b><span style='font-family:"Calibri",sans-serif'>Sample Parameters</span></b> 798 for it. Note that Goniometer chi is set to 90; that came from the same entry in 799 the Image Controls during integration. Also, if you chose other than the 1<sup>st</sup> 3003 background in each histogram. To start select any <b style='mso-bidi-font-weight: 3004 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3005 minor-latin;mso-hansi-theme-font:minor-latin'>PWDR</span></b> entry from the 3006 GSAS-II data tree and select <b style='mso-bidi-font-weight:normal'><span 3007 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3008 mso-hansi-theme-font:minor-latin'>Sample Parameters</span></b> for it. Note 3009 that Goniometer chi is set to 90; that came from the same entry in the Image 3010 Controls during integration. Also, if you chose other than the 1<sup>st</sup> 800 3011 PWDR data set the Detector azimuth will be some nonzero value; that is also 801 reflected in the name assigned to the histogram (e.g. <b><span 802 style='font-family:"Calibri",sans-serif'>PWDR NDC5_01588_1.ge2 Azm= 40.00</span></b>). 803 Uncheck the <b><span style='font-family:"Calibri",sans-serif'>Histogram scale 804 factor</span></b> box and then do <b><span style='font-family:"Calibri",sans-serif'>Command/Copy 805 flags</span></b>; select <b><span style='font-family:"Calibri",sans-serif'>Set 806 All</span></b> and then press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. 3012 reflected in the name assigned to the histogram (e.g. <b style='mso-bidi-font-weight: 3013 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3014 minor-latin;mso-hansi-theme-font:minor-latin'>PWDR NDC5_01588_1.ge2 <span 3015 class=SpellE>Azm</span>= 40.00</span></b>). Uncheck the <b style='mso-bidi-font-weight: 3016 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3017 minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b> 3018 box and then do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3019 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3020 minor-latin'>Command/Copy flags</span></b>; select <b style='mso-bidi-font-weight: 3021 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3022 minor-latin;mso-hansi-theme-font:minor-latin'>Set All</span></b> and then press 3023 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3024 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>. 807 3025 That will clear the scale factor refinement flag for all histograms; we will be 808 3026 varying the phase fractions instead.</p> … … 811 3029 the B2 phase and pick the Data tab; you will see</p> 812 3030 813 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 814 width=624 height=471 id="Picture 72" 815 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image039.png"></p> 816 817 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Select the <b><span 818 style='font-family:"Calibri",sans-serif'>Phase fraction</span></b> box. Then do 819 <b><span style='font-family:"Calibri",sans-serif'>Edit Phase/Copy data</span></b>, 820 select <b><span style='font-family:"Calibri",sans-serif'>Set All</span></b> 821 & press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b> to 822 copy these to the other histograms. Next select the <b><span style='font-family: 823 "Calibri",sans-serif'>B19</span></b> phase and repeat this process. We are now 824 ready for the first refinement; do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> 3031 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3032 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_72" 3033 o:spid="_x0000_i1068" type="#_x0000_t75" style='width:468pt;height:270pt; 3034 visibility:visible;mso-wrap-style:square'> 3035 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image230.png" 3036 o:title=""/> 3037 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360 3038 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image231.png" 3039 v:shapes="Picture_x0020_72"><![endif]></span></p> 3040 3041 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Select the <b 3042 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3043 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phase 3044 fraction</span></b> box. Then do <b style='mso-bidi-font-weight:normal'><span 3045 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3046 mso-hansi-theme-font:minor-latin'>Edit Phase/Copy data</span></b>, select <b 3047 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3048 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Set All</span></b> 3049 & press <b style='mso-bidi-font-weight:normal'><span style='font-family: 3050 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3051 minor-latin'>OK</span></b> to copy these to the other histograms. Next select 3052 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3053 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 3054 phase and repeat this process. We are now ready for the first refinement; do <b 3055 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3056 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> 825 3057 from the main GSAS-II data tree window. A progress bar popup will appear and 826 when done a <b><span style='font-family:"Calibri",sans-serif'>Refinement results</span></b> 827 popup will show with Rw~32%. Press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b> 3058 when done a <b style='mso-bidi-font-weight:normal'><span style='font-family: 3059 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3060 minor-latin'>Refinement results</span></b> popup will show with Rw~32%. Press <b 3061 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3062 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> 828 3063 to load this result; GSAS-II will return you to the last window you were using 829 3064 and display (NB: pick the 1<sup>st</sup> PWDR entry) the 1<sup>st</sup> powder 830 3065 pattern showing you the fit</p> 831 3066 832 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 833 width=624 height=535 id="Picture 73" 834 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image040.png"></p> 3067 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3068 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_73" 3069 o:spid="_x0000_i1067" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3070 visibility:visible;mso-wrap-style:square'> 3071 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image232.png" 3072 o:title=""/> 3073 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3074 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image233.png" 3075 v:shapes="Picture_x0020_73"><![endif]></span></p> 835 3076 836 3077 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This is quite … … 842 3083 evident that some of the peaks are out of place relative to the reflection 843 3084 markers; this is due to macroscopic strain in the drawn wire. For the <span 844 style='font-family:"Calibri",sans-serif'>B2</span> phase select the <b><span 845 style='font-family:"Calibri",sans-serif'>Texture</span></b> tab; it should look 846 like</p> 847 848 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 849 width=624 height=219 id="Picture 74" 850 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image041.png"></p> 3085 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3086 mso-hansi-theme-font:minor-latin'>B2</span> phase select the <b 3087 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3088 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Texture</span></b> 3089 tab; it should look like</p> 3090 3091 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3092 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_74" 3093 o:spid="_x0000_i1066" type="#_x0000_t75" style='width:468pt;height:164.25pt; 3094 visibility:visible;mso-wrap-style:square'> 3095 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image234.png" 3096 o:title=""/> 3097 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=219 3098 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image235.png" 3099 v:shapes="Picture_x0020_74"><![endif]></span></p> 851 3100 852 3101 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The texture 853 model is <b><span style='font-family:"Calibri",sans-serif'>cylindrical</span></b> 854 by default; that is what we want. Change the <b><span style='font-family:"Calibri",sans-serif'>Harmonic 855 order</span></b> to <b><span style='font-family:"Calibri",sans-serif'>8</span></b> 856 and check both <b><span style='font-family:"Calibri",sans-serif'>Refine texture</span></b> 857 and <b><span style='font-family:"Calibri",sans-serif'>Show coeff</span></b>. 3102 model is <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3103 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>cylindrical</span></b> 3104 by default; that is what we want. Change the <b style='mso-bidi-font-weight: 3105 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3106 minor-latin;mso-hansi-theme-font:minor-latin'>Harmonic order</span></b> to <b 3107 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3108 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>8</span></b> 3109 and check both <b style='mso-bidi-font-weight:normal'><span style='font-family: 3110 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3111 minor-latin'>Refine texture</span></b> and <b style='mso-bidi-font-weight:normal'><span 3112 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3113 mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>coeff</span></span></b>. 858 3114 The window should look like</p> 859 3115 860 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 861 width=624 height=232 id="Picture 75" 862 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image042.png"></p> 3116 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3117 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_75" 3118 o:spid="_x0000_i1065" type="#_x0000_t75" style='width:468pt;height:174pt; 3119 visibility:visible;mso-wrap-style:square'> 3120 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image236.png" 3121 o:title=""/> 3122 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=232 3123 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image237.png" 3124 v:shapes="Picture_x0020_75"><![endif]></span></p> 863 3125 864 3126 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then go to the 865 <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> tab, select <b><span 866 style='font-family:"Calibri",sans-serif'>D11</span></b>; the <b><span 867 style='font-family:"Calibri",sans-serif'>Data</span></b> window should look 868 like (any PWDR item will do)</p> 869 870 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 871 width=624 height=321 id="Picture 76" 872 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image043.png"></p> 873 874 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then do <b><span 875 style='font-family:"Calibri",sans-serif'>Edit Phase/Copy flags</span></b> to 876 have <b><span style='font-family:"Calibri",sans-serif'>D11</span></b> refined 877 for all PWDR data sets.</p> 3127 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3128 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3129 tab, select <b style='mso-bidi-font-weight:normal'><span style='font-family: 3130 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3131 minor-latin'>D11</span></b>; the <b style='mso-bidi-font-weight:normal'><span 3132 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3133 mso-hansi-theme-font:minor-latin'>Data</span></b> window should look like (any 3134 PWDR item will do)</p> 3135 3136 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3137 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_76" 3138 o:spid="_x0000_i1064" type="#_x0000_t75" style='width:467.25pt;height:240.75pt; 3139 visibility:visible;mso-wrap-style:square'> 3140 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image238.png" 3141 o:title=""/> 3142 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=321 3143 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image239.png" 3144 v:shapes="Picture_x0020_76"><![endif]></span></p> 3145 3146 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then do <b 3147 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3148 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3149 Phase/Copy flags</span></b> to have <b style='mso-bidi-font-weight:normal'><span 3150 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3151 mso-hansi-theme-font:minor-latin'>D11</span></b> refined for all PWDR data 3152 sets.</p> 878 3153 879 3154 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next select 880 the <b><span style='font-family:"Calibri",sans-serif'>B19</span></b> phase <b><span 881 style='font-family:"Calibri",sans-serif'>Texture</span></b> tab. Then select <b><span 882 style='font-family:"Calibri",sans-serif'>6</span></b> for the <b><span 883 style='font-family:"Calibri",sans-serif'>Harmonic order</span></b> and check 884 the two boxes as before.</p> 885 886 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 887 width=624 height=303 id="Picture 77" 888 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image044.png"></p> 3155 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3156 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 3157 phase <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3158 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Texture</span></b> 3159 tab. Then select <b style='mso-bidi-font-weight:normal'><span style='font-family: 3160 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3161 minor-latin'>6</span></b> for the <b style='mso-bidi-font-weight:normal'><span 3162 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3163 mso-hansi-theme-font:minor-latin'>Harmonic order</span></b> and check the two 3164 boxes as before.</p> 3165 3166 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3167 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_77" 3168 o:spid="_x0000_i1063" type="#_x0000_t75" style='width:468pt;height:227.25pt; 3169 visibility:visible;mso-wrap-style:square'> 3170 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image240.png" 3171 o:title=""/> 3172 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=303 3173 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image241.png" 3174 v:shapes="Picture_x0020_77"><![endif]></span></p> 889 3175 890 3176 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then go to the 891 <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> tab for the <b><span 892 style='font-family:"Calibri",sans-serif'>B19</span></b> phase and check all 4 893 of the <b><span style='font-family:"Calibri",sans-serif'>Dij</span></b> boxes 894 and do <b><span style='font-family:"Calibri",sans-serif'>Edit Phase/Copy flags</span></b> 895 as before. The tab will look like</p> 896 897 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 898 width=624 height=360 id="Picture 78" 899 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image045.png"></p> 900 901 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now do <b><span 902 style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> from the 903 main menu. The refinement will finish with Rw ~27%; the 1<sup>st</sup> PWDR 904 pattern looks like</p> 905 906 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 907 width=624 height=535 id="Picture 79" 908 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image046.png"></p> 3177 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3178 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3179 tab for the <b style='mso-bidi-font-weight:normal'><span style='font-family: 3180 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3181 minor-latin'>B19</span></b> phase and check all 4 of the <span class=SpellE><b 3182 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3183 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dij</span></b></span> 3184 boxes and do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3185 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3186 minor-latin'>Edit Phase/Copy flags</span></b> as before. The tab will look like</p> 3187 3188 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3189 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_78" 3190 o:spid="_x0000_i1062" type="#_x0000_t75" style='width:468pt;height:270pt; 3191 visibility:visible;mso-wrap-style:square'> 3192 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image230.png" 3193 o:title=""/> 3194 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360 3195 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image242.png" 3196 v:shapes="Picture_x0020_78"><![endif]></span></p> 3197 3198 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now do <b 3199 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3200 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> 3201 from the main menu. The refinement will finish with <span class=SpellE>Rw</span> 3202 ~27%; the 1<sup>st</sup> PWDR pattern looks like</p> 3203 3204 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3205 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_79" 3206 o:spid="_x0000_i1061" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3207 visibility:visible;mso-wrap-style:square'> 3208 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image243.png" 3209 o:title=""/> 3210 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3211 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image243.png" 3212 v:shapes="Picture_x0020_79"><![endif]></span></p> 909 3213 910 3214 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The calculated 911 peaks for both phases are too sharp. It is likely that this is a microstrain 912 effect. Select <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> 913 for the <b><span style='font-family:"Calibri",sans-serif'>B2 </span></b>phase 914 and select the <b><span style='font-family:"Calibri",sans-serif'>microstrain</span></b> 915 box. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit Phase/Copy 916 flags</span></b> to set it for the other PWDR data sets. Do the same for the <b><span 917 style='font-family:"Calibri",sans-serif'>B19</span></b> phase. Then do <b><span 918 style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> from the 919 main menu. The fit will be substantially improved with Rw ~10%.</p> 3215 peaks for both phases are too sharp. It is likely that this is a <span 3216 class=SpellE>microstrain</span> effect. Select <b style='mso-bidi-font-weight: 3217 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3218 minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> for the <b 3219 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3220 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2 </span></b>phase 3221 and select the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 3222 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3223 mso-hansi-theme-font:minor-latin'>microstrain</span></b></span> box. Then do <b 3224 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3225 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3226 Phase/Copy flags</span></b> to set it for the other PWDR data sets. Do the same 3227 for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3228 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 3229 phase. Then do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3230 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3231 minor-latin'>Calculate/Refine</span></b> from the main menu. The fit will be 3232 substantially improved with <span class=SpellE>Rw</span> ~10%.</p> 920 3233 921 3234 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 923 3236 924 3237 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Looking at the 925 individual PWDR data sets (e.g. the one for Azm=20.00)</p> 926 927 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 928 width=624 height=535 id="Picture 80" 929 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image047.png"></p> 3238 individual PWDR data sets (e.g. the one for <span class=SpellE>Azm</span>=20.00)</p> 3239 3240 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3241 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_80" 3242 o:spid="_x0000_i1060" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3243 visibility:visible;mso-wrap-style:square'> 3244 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image244.png" 3245 o:title=""/> 3246 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3247 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image245.png" 3248 v:shapes="Picture_x0020_80"><![endif]></span></p> 930 3249 931 3250 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It is evident 932 that there remains intensity differences due to texture. We can increase the 933 harmonic order to more closely fit these, however one should only do this 934 carefully. Select the Texture tab for the B2 phase; the Texture tab will show</p> 935 936 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 937 width=624 height=257 id="Picture 81" 938 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image048.png"></p> 3251 that there <span class=GramE>remains</span> intensity differences due to 3252 texture. We can increase the harmonic order to more closely fit these, however 3253 one should only do this carefully. Select the Texture tab for the B2 phase; the 3254 Texture tab will show</p> 3255 3256 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3257 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_81" 3258 o:spid="_x0000_i1059" type="#_x0000_t75" style='width:468pt;height:192.75pt; 3259 visibility:visible;mso-wrap-style:square'> 3260 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image246.png" 3261 o:title=""/> 3262 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=257 3263 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image247.png" 3264 v:shapes="Picture_x0020_81"><![endif]></span></p> 939 3265 940 3266 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>And a drawing 941 of the 001 pole figure will be drawn. This is the very typical bulls eye for 942 cylindrical texture; of much more use is an inverse pole figure. Select that 943 from the Texture plot type; the plot will be redrawn</p> 944 945 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 946 width=624 height=535 id="Picture 82" 947 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image049.png"></p> 3267 of the <span class=GramE>001 pole</span> figure will be drawn. This is the very 3268 typical <span class=GramE>bulls</span> eye for cylindrical texture; of much 3269 more use is an inverse pole figure. Select that from the Texture plot type; the 3270 plot will be redrawn</p> 3271 3272 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3273 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_82" 3274 o:spid="_x0000_i1058" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3275 visibility:visible;mso-wrap-style:square'> 3276 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image248.png" 3277 o:title=""/> 3278 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3279 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image249.png" 3280 v:shapes="Picture_x0020_82"><![endif]></span></p> 948 3281 949 3282 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This shows the … … 953 3286 954 3287 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next go to the 955 Texture tab for the B19 phase. Again a bullseye pole figure is drawn; change 956 that to an Inverse pole figure.</p> 957 958 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 959 width=624 height=535 id="Picture 83" 960 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image050.png"></p> 3288 Texture tab for the B19 phase. <span class=GramE>Again</span> a bullseye pole 3289 figure is drawn; change that to an Inverse pole figure.</p> 3290 3291 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3292 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_83" 3293 o:spid="_x0000_i1057" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3294 visibility:visible;mso-wrap-style:square'> 3295 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image250.png" 3296 o:title=""/> 3297 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3298 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image251.png" 3299 v:shapes="Picture_x0020_83"><![endif]></span></p> 961 3300 962 3301 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This phase is very 963 3302 strongly textured (the cursor shows 12-13 MRD at the peaks) along the -140 964 direction. Again we want to increment the Harmonic order to the next higher 965 level (8). Again do Calculate/Refine from the main menu; the Rwp has dropped to 966 ~8.9%. One can add the atom Uiso for the Ni and Ti atoms in the B2 phase and 967 the coordinates and Uiso for the B19 phase. The Rw drops a bit further to 968 ~8.4%. Finally, we can increase the harmonic order again for the B19 phase (it 969 is very strongly textured!) to 10 and the B2 phase to 12; the final refinement 970 converged to Rw ~7.8% and the B19 inverse pole figure has peaks at ~18 MRD 971 (Multiple of Random Distribution) and the B2 phase peaks are ~7MRD.</p> 3303 direction. <span class=GramE>Again</span> we want to increment the Harmonic 3304 order to the next higher level (8). <span class=GramE>Again</span> do 3305 Calculate/Refine from the main menu; the <span class=SpellE>Rwp</span> has 3306 dropped to ~8.9%. One can add the atom <span class=SpellE>Uiso</span> for the 3307 Ni and <span class=SpellE>Ti</span> atoms in the B2 phase and the coordinates 3308 and <span class=SpellE>Uiso</span> for the B19 phase. The <span class=SpellE>Rw</span> 3309 drops a bit further to ~8.4%. Finally, we can increase the harmonic order again 3310 for the B19 phase (it is very strongly textured!) to 10 and the B2 phase to 3311 12; the final refinement converged to <span class=SpellE>Rw</span> ~7.8% and 3312 the B19 inverse pole figure has peaks at ~18 MRD (Multiple of Random 3313 Distribution) and the B2 phase peaks are ~7MRD.</p> 972 3314 973 3315 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The B19 974 3316 coefficients</p> 975 3317 976 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 977 width=624 height=317 id="Picture 84" 978 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image052.png"></p> 3318 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3319 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_84" 3320 o:spid="_x0000_i1056" type="#_x0000_t75" style='width:468pt;height:237.75pt; 3321 visibility:visible;mso-wrap-style:square'> 3322 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image252.png" 3323 o:title=""/> 3324 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=317 3325 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image253.png" 3326 v:shapes="Picture_x0020_84"><![endif]></span></p> 979 3327 980 3328 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and inverse 981 3329 pole figure</p> 982 3330 983 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 984 width=624 height=535 id="Picture 85" 985 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image054.png"></p> 3331 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3332 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_85" 3333 o:spid="_x0000_i1055" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3334 visibility:visible;mso-wrap-style:square'> 3335 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image254.png" 3336 o:title=""/> 3337 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3338 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image255.png" 3339 v:shapes="Picture_x0020_85"><![endif]></span></p> 986 3340 987 3341 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The B2 988 3342 coefficients</p> 989 3343 990 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 991 width=624 height=224 id="Picture 86" 992 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image056.png"></p> 3344 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3345 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_86" 3346 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:468pt;height:168pt; 3347 visibility:visible;mso-wrap-style:square'> 3348 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image256.png" 3349 o:title=""/> 3350 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=224 3351 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image256.png" 3352 v:shapes="Picture_x0020_86"><![endif]></span></p> 993 3353 994 3354 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and inverse 995 3355 pole figure</p> 996 3356 997 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 998 width=624 height=535 id="Picture 87" 999 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image058.png"></p> 3357 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3358 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_87" 3359 o:spid="_x0000_i1053" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3360 visibility:visible;mso-wrap-style:square'> 3361 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image257.png" 3362 o:title=""/> 3363 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3364 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image258.png" 3365 v:shapes="Picture_x0020_87"><![endif]></span></p> 1000 3366 1001 3367 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This completes 1002 the tutorial on Method A for doing texture analysis. It is useful for a case like1003 this one where there are very few data sets required for the texture analysis. 1004 However, for the case of lower sample symmetry one must several dozen or even a 1005 few hundred histograms and then the suite of parameters can easily be > 1000 1006 of which only a few dozen describe the texture. This leads to the next Methods 1007 for texture analysis in GSAS-II.</p>3368 the tutorial on Method A for doing texture analysis. It is useful for a case 3369 like this one where there are very few data sets required for the texture 3370 analysis. However, for the case of lower sample symmetry one must several dozen 3371 or even a few hundred histograms and then the suite of parameters can easily be 3372 > 1000 of which only a few dozen describe the texture. This leads to the 3373 next Methods for texture analysis in GSAS-II.</p> 1008 3374 1009 3375 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 1015 3381 1016 3382 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins 1017 the texture analysis in much the same way as Method A except that all the 1018 initial refinements are done sequentially, that is refinements are done for 1019 theparameters associated with each powder pattern to convergence in a serial3383 the texture analysis in much the same way as Method A except that all the initial 3384 refinements are done sequentially, that is refinements are done for the 3385 parameters associated with each powder pattern to convergence in a serial 1020 3386 fashion. In this case where there are 10 PWDR data sets, there will be 10 1021 3387 refinements done in sequence. Parameters that span all the data (e.g. lattice 1022 3388 parameters, atom parameters & texture) are not varied in this sequence 1023 3389 refinement. The effect of texture is modeled as a Preferred Orientation 1024 correction to each histogram. To begin do <b><span style='font-family:"Calibri",sans-serif'>File/Open 1025 project 1026 </span></b> for the <b><span style='font-family:"Calibri",sans-serif'>NiTi.gpx</span></b> 1027 file created in the first step and then do a <b><span style='font-family:"Calibri",sans-serif'>File/Save 3390 correction to each histogram. To begin do <b style='mso-bidi-font-weight:normal'><span 3391 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3392 mso-hansi-theme-font:minor-latin'>File/Open project 3393 </span></b> for the <span 3394 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: 3395 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3396 minor-latin'>NiTi.gpx</span></b></span> file created in the first step and then 3397 do a <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3398 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save 1028 3399 project as 1029 </span></b> to save it as <b><span style='font-family:"Calibri",sans-serif'>NiTi-B</span></b>. 3400 </span></b> to save it as <span class=SpellE><b style='mso-bidi-font-weight: 3401 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3402 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b 3403 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3404 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-B</span></b>. 1030 3405 This renames the project and it should have one IMG, 10 PWDR entries and two 1031 phases of NiTi(B2 and B19).</p>3406 phases of <span class=SpellE>NiTi</span> (B2 and B19).</p> 1032 3407 1033 3408 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 1035 3410 1036 3411 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins 1037 the same way as Method A so Ill be brief. Do the following steps:</p> 1038 1039 <p class=MsoListParagraphCxSpFirst style='margin-bottom:12.0pt;text-indent: 1040 -.25in;line-height:115%'>1)<span style='font:7.0pt "Times New Roman"'> 1041 </span>Select any <b><span style='font-family:"Calibri",sans-serif'>PWDR</span></b> 1042 entry, go to <b><span style='font-family:"Calibri",sans-serif'>Sample Parameters</span></b> 1043 and uncheck <b><span style='font-family:"Calibri",sans-serif'>Histogram scale 1044 factor</span></b>. Then copy the flags to the other PWDR entries.</p> 1045 1046 <p class=MsoListParagraphCxSpMiddle style='margin-bottom:12.0pt;text-indent: 1047 -.25in;line-height:115%'>2)<span style='font:7.0pt "Times New Roman"'> 1048 </span>Select the <b><span style='font-family:"Calibri",sans-serif'>B2</span></b> 1049 phase <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> tab and 1050 check the <b><span style='font-family:"Calibri",sans-serif'>Phase fraction</span></b> 1051 box and change the <b><span style='font-family:"Calibri",sans-serif'>Preferred 1052 orientation model</span></b> to <b><span style='font-family:"Calibri",sans-serif'>Spherical 1053 harmonics</span></b>. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit 3412 the same way as Method <span class=GramE>A</span> so Ill be brief. Do the 3413 following steps:</p> 3414 3415 <p class=MsoListParagraphCxSpFirst style='margin-bottom:12.0pt;mso-add-space: 3416 auto;text-indent:-.25in;line-height:115%;mso-list:l0 level1 lfo2'><![if !supportLists]><span 3417 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1)<span 3418 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 3419 any <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3420 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>PWDR</span></b> 3421 entry, go to <b style='mso-bidi-font-weight:normal'><span style='font-family: 3422 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3423 minor-latin'>Sample Parameters</span></b> and uncheck <b style='mso-bidi-font-weight: 3424 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3425 minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b>. 3426 Then copy the flags to the other PWDR entries.</p> 3427 3428 <p class=MsoListParagraphCxSpMiddle style='margin-bottom:12.0pt;mso-add-space: 3429 auto;text-indent:-.25in;line-height:115%;mso-list:l0 level1 lfo2'><![if !supportLists]><span 3430 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2)<span 3431 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 3432 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3433 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> 3434 phase <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3435 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3436 tab and check the <b style='mso-bidi-font-weight:normal'><span 3437 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3438 mso-hansi-theme-font:minor-latin'>Phase fraction</span></b> box and change the <b 3439 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3440 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 3441 orientation model</span></b> to <b style='mso-bidi-font-weight:normal'><span 3442 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3443 mso-hansi-theme-font:minor-latin'>Spherical harmonics</span></b>. Then do <b 3444 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3445 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 1054 3446 Phase/Copy data</span></b> to copy both the flag and the model to the other 1055 3447 PWDR entries.</p> 1056 3448 1057 <p class=MsoListParagraphCxSpLast style='margin-bottom:12.0pt;text-indent:-.25in; 1058 line-height:115%'>3)<span style='font:7.0pt "Times New Roman"'> 1059 </span>Select the <b><span style='font-family:"Calibri",sans-serif'>B19</span></b> 1060 phase <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> tab and 1061 check the <b><span style='font-family:"Calibri",sans-serif'>Phase fraction box</span></b> 1062 and change the <b><span style='font-family:"Calibri",sans-serif'>Preferred 1063 orientation model</span></b> to <b><span style='font-family:"Calibri",sans-serif'>Spherical 1064 harmonics</span></b>. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit 3449 <p class=MsoListParagraphCxSpLast style='margin-bottom:12.0pt;mso-add-space: 3450 auto;text-indent:-.25in;line-height:115%;mso-list:l0 level1 lfo2'><![if !supportLists]><span 3451 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3)<span 3452 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 3453 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3454 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 3455 phase <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3456 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3457 tab and check the <b style='mso-bidi-font-weight:normal'><span 3458 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3459 mso-hansi-theme-font:minor-latin'>Phase fraction box</span></b> and change the <b 3460 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3461 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 3462 orientation model</span></b> to <b style='mso-bidi-font-weight:normal'><span 3463 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3464 mso-hansi-theme-font:minor-latin'>Spherical harmonics</span></b>. Then do <b 3465 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3466 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 1065 3467 Phase/Copy data</span></b> to copy both the flag and the model to the other 1066 3468 PWDR entries.</p> 1067 3469 1068 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now select <b><span 1069 style='font-family:"Calibri",sans-serif'>Controls</span></b> from the GSAS-II 1070 data tree</p> 1071 1072 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1073 width=624 height=191 id="Picture 88" 1074 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image060.png"></p> 1075 1076 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Press the <b><span 1077 style='font-family:"Calibri",sans-serif'>Select Data</span></b> button for <b><span 1078 style='font-family:"Calibri",sans-serif'>Sequential Refinement</span></b>; a 1079 file selection popup will appear. Do <b><span style='font-family:"Calibri",sans-serif'>Set 1080 All</span></b> and press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b>. 1081 The <b><span style='font-family:"Calibri",sans-serif'>Controls</span></b> page 1082 will be repainted indicating that 10 data sets are selected for sequential 1083 refinement.</p> 1084 1085 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1086 width=624 height=199 id="Picture 89" 1087 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image062.png"></p> 3470 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now select <b 3471 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3472 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Controls</span></b> 3473 from the GSAS-II data tree</p> 3474 3475 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3476 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_88" 3477 o:spid="_x0000_i1052" type="#_x0000_t75" style='width:466.5pt;height:143.25pt; 3478 visibility:visible;mso-wrap-style:square'> 3479 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image259.png" 3480 o:title=""/> 3481 </v:shape><![endif]--><![if !vml]><img border=0 width=622 height=191 3482 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image260.png" 3483 v:shapes="Picture_x0020_88"><![endif]></span></p> 3484 3485 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Press the <b 3486 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3487 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Select Data</span></b> 3488 button for <b style='mso-bidi-font-weight:normal'><span style='font-family: 3489 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3490 minor-latin'>Sequential Refinement</span></b>; a file selection popup will 3491 appear. Do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3492 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3493 minor-latin'>Set All</span></b> and press <b style='mso-bidi-font-weight:normal'><span 3494 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3495 mso-hansi-theme-font:minor-latin'>OK</span></b>. The <b style='mso-bidi-font-weight: 3496 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3497 minor-latin;mso-hansi-theme-font:minor-latin'>Controls</span></b> page will be 3498 repainted indicating that 10 data sets are selected for sequential refinement.</p> 3499 3500 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3501 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_89" 3502 o:spid="_x0000_i1051" type="#_x0000_t75" style='width:468pt;height:149.25pt; 3503 visibility:visible;mso-wrap-style:square'> 3504 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image261.png" 3505 o:title=""/> 3506 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=199 3507 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image262.png" 3508 v:shapes="Picture_x0020_89"><![endif]></span></p> 1088 3509 1089 3510 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>You have the 1090 3511 choice of starting at the last one and for copying results from one to the 1091 3512 next. We wont do either here. Each refinement will use the other controls 1092 (e.g. <b><span style='font-family:"Calibri",sans-serif'>Max cycles</span></b>) 3513 (e.g. <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3514 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Max cycles</span></b>) 1093 3515 as controls. We are now ready to do the 1<sup>st</sup> sequential refinement. 1094 Do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Sequential 3516 Do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3517 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Sequential 1095 3518 refine</span></b> from the main menu. A progress bar popup will appear showing 1096 residuals as it processes each of 10 data sets. After a few seconds the <b><span 1097 style='font-family:"Calibri",sans-serif'>Refinement results</span></b> popup 1098 will appear; press <b><span style='font-family:"Calibri",sans-serif'>OK</span></b> 1099 to accept them. The data window displays the <b><span style='font-family:"Calibri",sans-serif'>Sequential 1100 refinement results</span></b> as a table.</p> 1101 1102 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1103 width=624 height=176 id="Picture 90" 1104 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image064.png"></p> 3519 residuals as it processes each of 10 data sets. After a few seconds the <b 3520 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3521 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refinement 3522 results</span></b> popup will appear; press <b style='mso-bidi-font-weight: 3523 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3524 minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b> to accept them. The 3525 data window displays the <b style='mso-bidi-font-weight:normal'><span 3526 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3527 mso-hansi-theme-font:minor-latin'>Sequential refinement results</span></b> as a 3528 table.</p> 3529 3530 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3531 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_90" 3532 o:spid="_x0000_i1050" type="#_x0000_t75" style='width:468pt;height:132pt; 3533 visibility:visible;mso-wrap-style:square'> 3534 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image263.png" 3535 o:title=""/> 3536 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 3537 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image264.png" 3538 v:shapes="Picture_x0020_90"><![endif]></span></p> 1105 3539 1106 3540 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>There is a row 1107 for each data set and columns for all refined parameters and some derived ones along1108 with residual and convergence indicators. The residuals are not very good (we 1109 havent really refined much) but the Δχ<sup>2</sup> column shows that 1110 convergence was achieved (NB: poor convergence will be highlighted in yellow or 1111 red depending on how bad it is).</p>3541 for each data set and columns for all refined parameters and some derived ones 3542 along with residual and convergence indicators. The residuals are not very good 3543 (we havent really refined much) but the Δχ<sup>2</sup> column shows 3544 that convergence was achieved (NB: poor convergence will be highlighted in 3545 yellow or red depending on how bad it is).</p> 1112 3546 1113 3547 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>If you examine … … 1115 3549 the misfit is texture and perhaps peak position.</p> 1116 3550 1117 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1118 width=624 height=535 id="Picture 91" 1119 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image066.png"></p> 3551 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3552 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_91" 3553 o:spid="_x0000_i1049" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3554 visibility:visible;mso-wrap-style:square'> 3555 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image265.png" 3556 o:title=""/> 3557 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3558 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image266.png" 3559 v:shapes="Picture_x0020_91"><![endif]></span></p> 1120 3560 1121 3561 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>To set these 1122 3562 parameters, select the Data tab for the B2 phase</p> 1123 3563 1124 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1125 width=508 height=500 id="Picture 5" 1126 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image117.png"></p> 1127 1128 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Check the <b><span 1129 style='font-family:"Calibri",sans-serif'>D11</span></b> box under 1130 Hydrostatic/elastic strain, set the <b><span style='font-family:"Calibri",sans-serif'>Harmonic 1131 order</span></b> to <b><span style='font-family:"Calibri",sans-serif'>6</span></b> 1132 and check the <b><span style='font-family:"Calibri",sans-serif'>Refine</span></b> 1133 box for it (Preferred orientation). Then in two steps, do <b><span 1134 style='font-family:"Calibri",sans-serif'>Edit Phase/Copy flags</span></b> and <b><span 1135 style='font-family:"Calibri",sans-serif'>Set All</span></b> for the file 1136 selection. Then do <b><span style='font-family:"Calibri",sans-serif'>Edit 3564 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3565 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_5" 3566 o:spid="_x0000_i1048" type="#_x0000_t75" style='width:381pt;height:256.5pt; 3567 visibility:visible;mso-wrap-style:square'> 3568 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image267.png" 3569 o:title=""/> 3570 </v:shape><![endif]--><![if !vml]><img border=0 width=508 height=342 3571 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image268.png" 3572 v:shapes="Picture_x0020_5"><![endif]></span></p> 3573 3574 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Check the <b 3575 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3576 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3577 minor-latin'>D11</span></b> box under Hydrostatic/elastic strain, set the <b 3578 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3579 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3580 minor-latin'>Harmonic order</span></b> to <b style='mso-bidi-font-weight:normal'><span 3581 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3582 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> 3583 and check the <b style='mso-bidi-font-weight:normal'><span style='font-family: 3584 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3585 minor-latin;mso-bidi-theme-font:minor-latin'>Refine</span></b> box for it 3586 (Preferred orientation). Then in two steps, do <b style='mso-bidi-font-weight: 3587 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3588 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit 3589 Phase/Copy flags</span></b> and <b style='mso-bidi-font-weight:normal'><span 3590 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3591 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b> 3592 for the file selection. Then do <b style='mso-bidi-font-weight:normal'><span 3593 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3594 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit 1137 3595 Phase/Copy selected data</span></b>; that will bring up a new popup</p> 1138 3596 1139 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1140 width=322 height=390 id="Picture 92" 1141 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image118.png"></p> 3597 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3598 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_92" 3599 o:spid="_x0000_i1047" type="#_x0000_t75" style='width:241.5pt;height:292.5pt; 3600 visibility:visible;mso-wrap-style:square'> 3601 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image269.png" 3602 o:title=""/> 3603 </v:shape><![endif]--><![if !vml]><img border=0 width=322 height=390 3604 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image269.png" 3605 v:shapes="Picture_x0020_92"><![endif]></span></p> 1142 3606 1143 3607 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This allows 1144 you to select which parameters to copy data and flags. Select <b><span 1145 style='font-family:"Calibri",sans-serif'>Pref. Ori.</span></b> And press <b><span 1146 style='font-family:"Calibri",sans-serif'>OK</span></b>; the file selection is 1147 next. Do <b><span style='font-family:"Calibri",sans-serif'>Set All</span></b> 1148 and <b><span style='font-family:"Calibri",sans-serif'>OK</span></b> to do this 1149 copy. That copies the full spherical harmonics model to the other data sets. 1150 Select one to check if youd like.</p> 3608 you to select which parameters to copy data and flags. Select <b 3609 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3610 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3611 minor-latin'>Pref. Ori.</span></b> And press <b style='mso-bidi-font-weight: 3612 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3613 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>; 3614 the file selection is next. Do <b style='mso-bidi-font-weight:normal'><span 3615 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3616 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b> 3617 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3618 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3619 minor-latin'>OK</span></b> to do this copy. That copies the full spherical 3620 harmonics model to the other data sets. Select one to check if youd like.</p> 1151 3621 1152 3622 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next do the 1153 same thing for the B19 phase; here there are 4 <b><span style='font-family: 1154 "Calibri",sans-serif'>Dij </span></b>parameters to check (do all of them) and 1155 use spherical harmonics order <b><span style='font-family:"Calibri",sans-serif'>4</span></b>. 1156 When done that Data window will look like</p> 1157 1158 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1159 width=624 height=421 id="Picture 93" 1160 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image068.png"></p> 3623 same thing for the B19 phase; here there are 4 <span class=SpellE><b 3624 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3625 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3626 minor-latin'>Dij</span></b></span><b style='mso-bidi-font-weight:normal'><span 3627 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3628 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> </span></b>parameters 3629 to check (do all of them) and use spherical harmonics order <b 3630 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3631 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3632 minor-latin'>4</span></b>. When done that Data window will look <span 3633 class=GramE>like</span></p> 3634 3635 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3636 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_93" 3637 o:spid="_x0000_i1046" type="#_x0000_t75" style='width:468pt;height:315.75pt; 3638 visibility:visible;mso-wrap-style:square'> 3639 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image267.png" 3640 o:title=""/> 3641 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=421 3642 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image270.png" 3643 v:shapes="Picture_x0020_93"><![endif]></span></p> 1161 3644 1162 3645 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>We are now 1163 ready for the next refinement; do <b><span style='font-family:"Calibri",sans-serif'>Calculate/Sequential 3646 ready for the next refinement; do <b style='mso-bidi-font-weight:normal'><span 3647 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3648 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Sequential 1164 3649 refine</span></b>. Be careful not (by habit say) pick Refine; a warning popup 1165 3650 will appear. After it completes the Sequential refinement results shows that 1166 the fit is better but convergence wasnt quite complete.</p> 1167 1168 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1169 width=624 height=204 id="Picture 95" 1170 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image070.png"></p> 3651 the fit is <span class=GramE>better</span> but convergence wasnt quite 3652 complete.</p> 3653 3654 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3655 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_95" 3656 o:spid="_x0000_i1045" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3657 visibility:visible;mso-wrap-style:square'> 3658 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image271.png" 3659 o:title=""/> 3660 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3661 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image272.png" 3662 v:shapes="Picture_x0020_95"><![endif]></span></p> 1171 3663 1172 3664 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It is probably … … 1174 3666 convergence. A plot of one PWDR entry gives</p> 1175 3667 1176 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1177 width=624 height=535 id="Picture 96" 1178 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image072.png"></p> 3668 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3669 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_96" 3670 o:spid="_x0000_i1044" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3671 visibility:visible;mso-wrap-style:square'> 3672 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image273.png" 3673 o:title=""/> 3674 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3675 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image274.png" 3676 v:shapes="Picture_x0020_96"><![endif]></span></p> 1179 3677 1180 3678 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>As our 1181 3679 experience in Method A, the calculated peaks are too sharp. We need to vary the 1182 3680 mustrain parameters for both phases. Go to the Data tab for each phase, check 1183 the <b><span style='font-family:"Calibri",sans-serif'>microstrain</span></b> 1184 box and do <b><span style='font-family:"Calibri",sans-serif'>Edit Phase/Copy 1185 flags</span></b> for all the data sets. Then do another <b><span 1186 style='font-family:"Calibri",sans-serif'>Calculate/Sequential refine</span></b>. 1187 My Sequential refinement results showed great improvement but incomplete 1188 refinement</p> 1189 1190 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1191 width=624 height=204 id="Picture 97" 1192 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image074.png"></p> 3681 the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 3682 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3683 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>microstrain</span></b></span> 3684 box and do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3685 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3686 minor-latin;mso-bidi-theme-font:minor-latin'>Edit Phase/Copy flags</span></b> 3687 for all the data sets. Then do another <b style='mso-bidi-font-weight:normal'><span 3688 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3689 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Sequential 3690 refine</span></b>. My Sequential refinement results showed great improvement 3691 but incomplete refinement</p> 3692 3693 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3694 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_97" 3695 o:spid="_x0000_i1043" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3696 visibility:visible;mso-wrap-style:square'> 3697 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image275.png" 3698 o:title=""/> 3699 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3700 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image276.png" 3701 v:shapes="Picture_x0020_97"><![endif]></span></p> 1193 3702 1194 3703 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Repeating the 1195 3704 sequential refinement (twice) gave convergence.</p> 1196 3705 1197 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1198 width=624 height=204 id="Picture 98" 1199 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image076.png"></p> 3706 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3707 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_98" 3708 o:spid="_x0000_i1042" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3709 visibility:visible;mso-wrap-style:square'> 3710 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image277.png" 3711 o:title=""/> 3712 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3713 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image278.png" 3714 v:shapes="Picture_x0020_98"><![endif]></span></p> 1200 3715 1201 3716 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Examination of 1202 3717 the PWDR data sets showed a fairly good fit but some discrepancies (especially 1203 for Azm=20.00)</p> 1204 1205 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1206 width=624 height=535 id="Picture 99" 1207 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image078.png"></p> 3718 for <span class=SpellE>Azm</span>=20.00)</p> 3719 3720 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3721 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_99" 3722 o:spid="_x0000_i1041" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3723 visibility:visible;mso-wrap-style:square'> 3724 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image279.png" 3725 o:title=""/> 3726 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3727 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image280.png" 3728 v:shapes="Picture_x0020_99"><![endif]></span></p> 1208 3729 1209 3730 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Showing that 1210 3731 perhaps the B19 phase needs high order spherical harmonics. Select the Data 1211 tab for the B19 phase and change the <b><span style='font-family:"Calibri",sans-serif'>Harmonic 1212 order</span></b> to <b><span style='font-family:"Calibri",sans-serif'>6</span></b>. 1213 Then do <b><span style='font-family:"Calibri",sans-serif'>Edit Phase/Copy 1214 selected data</span></b> for <b><span style='font-family:"Calibri",sans-serif'>Pref.Ori.</span></b> 3732 tab for the B19 phase and change the <b style='mso-bidi-font-weight:normal'><span 3733 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3734 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Harmonic 3735 order</span></b> to <b style='mso-bidi-font-weight:normal'><span 3736 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3737 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>. 3738 Then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3739 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3740 minor-latin'>Edit Phase/Copy selected data</span></b> for <span class=SpellE><b 3741 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3742 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3743 minor-latin'>Pref.Ori</span></b></span><b style='mso-bidi-font-weight:normal'><span 3744 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3745 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>.</span></b> 1215 3746 to the other data sets. This (after few repeats) gives a further improvement in 1216 3747 the fit</p> 1217 3748 1218 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1219 width=624 height=204 id="Picture 100" 1220 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image080.png"></p> 3749 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3750 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_100" 3751 o:spid="_x0000_i1040" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3752 visibility:visible;mso-wrap-style:square'> 3753 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image281.png" 3754 o:title=""/> 3755 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3756 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image282.png" 3757 v:shapes="Picture_x0020_100"><![endif]></span></p> 1221 3758 1222 3759 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This fit is … … 1229 3766 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>During the 1230 3767 sequential refinements done in Step 1, we fitted the profiles allowing strain 1231 parameters (Dij) for peak position shifts and microstrain for peak shape. We 1232 modeled the intensity variation with a spherical harmonics preferred 3768 parameters (<span class=SpellE>Dij</span>) for peak position shifts and <span 3769 class=SpellE>microstrain</span> for peak shape. We modeled the intensity 3770 variation with a <span class=GramE>spherical harmonics</span> preferred 1233 3771 orientation correction. If you select any PWDR entry from the GSAS-II data tree 1234 3772 and pick the Reflection List subentry (at the bottom) you can see the magnitude … … 1238 3776 phase we see</p> 1239 3777 1240 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1241 width=624 height=204 id="Picture 101" 1242 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image082.png"></p> 3778 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3779 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_101" 3780 o:spid="_x0000_i1039" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3781 visibility:visible;mso-wrap-style:square'> 3782 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image283.png" 3783 o:title=""/> 3784 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3785 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image284.png" 3786 v:shapes="Picture_x0020_101"><![endif]></span></p> 1243 3787 1244 3788 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and for the 1245 3789 B19 phase we see</p> 1246 3790 1247 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1248 width=624 height=204 id="Picture 102" 1249 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image084.png"></p> 3791 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3792 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_102" 3793 o:spid="_x0000_i1038" type="#_x0000_t75" style='width:467.25pt;height:153pt; 3794 visibility:visible;mso-wrap-style:square'> 3795 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image285.png" 3796 o:title=""/> 3797 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=204 3798 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image286.png" 3799 v:shapes="Picture_x0020_102"><![endif]></span></p> 1250 3800 1251 3801 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The preferred 1252 orientation correction is Prfo; notice a few entries in red. These are 1253 nonphysical correction values (the correction cant be negative) but by in 1254 large these are small. This next step uses these corrections as input data for 1255 a texture refinement. To start select the Texture tab for the B2 phase; youll 1256 see</p> 1257 1258 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1259 width=608 height=290 id="Picture 16" 1260 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image137.png"></p> 3802 orientation correction is <span class=SpellE>Prfo</span>; notice a few entries 3803 in red. These are nonphysical correction values (the correction cant be 3804 negative) but by in large these are small. This next step uses these 3805 corrections as input data for a texture refinement. To start select the Texture 3806 tab for the B2 phase; youll see</p> 3807 3808 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3809 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_16" 3810 o:spid="_x0000_i1037" type="#_x0000_t75" style='width:456pt;height:164.25pt; 3811 visibility:visible;mso-wrap-style:square'> 3812 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image287.png" 3813 o:title=""/> 3814 </v:shape><![endif]--><![if !vml]><img border=0 width=608 height=219 3815 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image288.png" 3816 v:shapes="Picture_x0020_16"><![endif]></span></p> 1261 3817 1262 3818 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Since this 1263 sample has wire texture, well use the default Texture model (<b><span 1264 style='font-family:"Calibri",sans-serif'>cylindrical</span></b>). Then set the <b><span 1265 style='font-family:"Calibri",sans-serif'>Harmonic order</span></b> to <b><span 1266 style='font-family:"Calibri",sans-serif'>12</span></b> (what we used earlier) 1267 and check the <b><span style='font-family:"Calibri",sans-serif'>Refine</span></b> 1268 and <b><span style='font-family:"Calibri",sans-serif'>Show coeff</span></b> 1269 boxes. The data window will be redrawn (and an orange blank plot will appear).</p> 1270 1271 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1272 width=624 height=225 id="Picture 103" 1273 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image086.png"></p> 1274 1275 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do <b><span 1276 style='font-family:"Calibri",sans-serif'>Texture/Refine texture</span></b> from 1277 the menu; the window will be repainted and a bullseye pole figure will appear. </p> 1278 1279 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1280 width=624 height=225 id="Picture 104" 1281 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image088.png"></p> 1282 1283 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Change the <b><span 1284 style='font-family:"Calibri",sans-serif'>Texture plot type</span></b> to <b><span 1285 style='font-family:"Calibri",sans-serif'>Inverse pole figure</span></b> to get 1286 a more useful plot</p> 1287 1288 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1289 width=624 height=535 id="Picture 105" 1290 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image090.png"></p> 3819 sample has wire texture, well use the default Texture model (<b 3820 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3821 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3822 minor-latin'>cylindrical</span></b>). Then set the <b style='mso-bidi-font-weight: 3823 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3824 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Harmonic 3825 order</span></b> to <b style='mso-bidi-font-weight:normal'><span 3826 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3827 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>12</span></b> 3828 (what we used earlier) and check the <b style='mso-bidi-font-weight:normal'><span 3829 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3830 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Refine</span></b> 3831 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3832 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3833 minor-latin'>Show <span class=SpellE>coeff</span></span></b> boxes. The data 3834 window will be redrawn (and an orange blank plot will appear).</p> 3835 3836 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3837 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_103" 3838 o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt;height:168.75pt; 3839 visibility:visible;mso-wrap-style:square'> 3840 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image289.png" 3841 o:title=""/> 3842 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=225 3843 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image289.png" 3844 v:shapes="Picture_x0020_103"><![endif]></span></p> 3845 3846 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do <b 3847 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3848 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3849 minor-latin'>Texture/Refine texture</span></b> from the menu; the window will 3850 be <span class=GramE>repainted</span> and a bullseye pole figure will appear. </p> 3851 3852 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><!--[if gte vml 1]><v:shape 3853 id="Picture_x0020_104" o:spid="_x0000_s1026" type="#_x0000_t75" style='width:468pt; 3854 height:168.75pt;visibility:visible;mso-wrap-style:square;mso-left-percent:-10001; 3855 mso-top-percent:-10001;mso-position-horizontal:absolute; 3856 mso-position-horizontal-relative:char;mso-position-vertical:absolute; 3857 mso-position-vertical-relative:line;mso-left-percent:-10001;mso-top-percent:-10001'> 3858 <w:wrap type="none"/> 3859 <w:anchorlock/> 3860 </v:shape><![endif]--><![if !vml]><img width=624 height=225 3861 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image290.png" 3862 v:shapes="Picture_x0020_104"><![endif]></p> 3863 3864 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Change the <b 3865 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3866 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3867 minor-latin'>Texture plot type</span></b> to <b style='mso-bidi-font-weight: 3868 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3869 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Inverse 3870 pole figure</span></b> to get a more useful plot</p> 3871 3872 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3873 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_105" 3874 o:spid="_x0000_i1034" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3875 visibility:visible;mso-wrap-style:square'> 3876 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image291.png" 3877 o:title=""/> 3878 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3879 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image292.png" 3880 v:shapes="Picture_x0020_105"><![endif]></span></p> 1291 3881 1292 3882 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This is … … 1295 3885 1296 3886 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now select the 1297 Texture tab for the B19 phase and do the same; use <b><span style='font-family: 1298 "Calibri",sans-serif'>Harmonic order 10</span></b> as we did earlier in Method 1299 A. After setting the two flags and doing <b><span style='font-family:"Calibri",sans-serif'>Texture/Refine 1300 texture</span></b> we get</p> 1301 1302 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1303 width=624 height=324 id="Picture 106" 1304 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image092.png"></p> 3887 Texture tab for the B19 phase and do the same; use <b style='mso-bidi-font-weight: 3888 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3889 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Harmonic 3890 order 10</span></b> as we did earlier in Method A. After setting the two flags 3891 and doing <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3892 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3893 minor-latin'>Texture/Refine texture</span></b> we get</p> 3894 3895 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3896 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_106" 3897 o:spid="_x0000_i1033" type="#_x0000_t75" style='width:467.25pt;height:243pt; 3898 visibility:visible;mso-wrap-style:square'> 3899 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image293.png" 3900 o:title=""/> 3901 </v:shape><![endif]--><![if !vml]><img border=0 width=623 height=324 3902 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image294.png" 3903 v:shapes="Picture_x0020_106"><![endif]></span></p> 1305 3904 1306 3905 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>And a bullseye 1307 3906 pole figure; change that to Inverse pole figure to see the texture</p> 1308 3907 1309 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1310 width=624 height=535 id="Picture 107" 1311 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image094.png"></p> 1312 1313 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Again this is 1314 very similar to what we found in Method A but again not quite as strong (max 1315 MRD ~10 instead of ~18) and a bit choppier.</p> 1316 1317 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now do a <b><span 1318 style='font-family:"Calibri",sans-serif'>File/Save project</span></b> from the 1319 main menu; this saves the final texture results done in Step 2 (you also will 1320 need it for Method C).</p> 3908 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3909 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_107" 3910 o:spid="_x0000_i1032" type="#_x0000_t75" style='width:468pt;height:401.25pt; 3911 visibility:visible;mso-wrap-style:square'> 3912 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image295.png" 3913 o:title=""/> 3914 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3915 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image296.png" 3916 v:shapes="Picture_x0020_107"><![endif]></span></p> 3917 3918 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3919 class=GramE>Again</span> this is very similar to what we found in Method A but 3920 again not quite as strong (max MRD ~10 instead of ~18) and a bit choppier.</p> 3921 3922 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now do a <b 3923 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3924 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3925 minor-latin'>File/Save project</span></b> from the main menu; this saves the 3926 final texture results done in Step 2 (you also will need it for Method C).</p> 1321 3927 1322 3928 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 1328 3934 1329 3935 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This uses the 1330 same approach as Method B except that after the sequential refinements are 1331 finished we then fix almost all the parameters and then do a final texture 1332 refinement with all the data. Thus, this is a replacement for Step 2 in Method 1333 B. To begin do <b><span style='font-family:"Calibri",sans-serif'>File/Open 1334 project 1335 </span></b> for the <b><span style='font-family:"Calibri",sans-serif'>NiTi-B.gpx</span></b> 1336 file created in Method B and then do a <b><span style='font-family:"Calibri",sans-serif'>File/Save 3936 same approach as Method B except that after the sequential refinements are <span 3937 class=GramE>finished</span> we then fix almost all the parameters and then do a 3938 final texture refinement with all the data. Thus, this is a replacement for 3939 Step 2 in Method B. To begin do <b style='mso-bidi-font-weight:normal'><span 3940 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3941 mso-hansi-theme-font:minor-latin'>File/Open project 3942 </span></b> for the <span 3943 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: 3944 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3945 minor-latin'>NiTi-B.gpx</span></b></span> file created in Method B and then do 3946 a <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3947 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save 1337 3948 project as 1338 </span></b> to save it as <b><span style='font-family:"Calibri",sans-serif'>NiTi-C</span></b>. 3949 </span></b> to save it as <span class=SpellE><b style='mso-bidi-font-weight: 3950 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3951 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b 3952 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3953 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-C</span></b>. 1339 3954 This renames the project and it should have one IMG, 10 PWDR entries and two 1340 phases of NiTi(B2 and B19).</p>3955 phases of <span class=SpellE>NiTi</span> (B2 and B19).</p> 1341 3956 1342 3957 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 1349 3964 unless we expect it to affect the peak intensities. These are listed below:</p> 1350 3965 1351 <p class=MsoListParagraphCxSpFirst style='margin-bottom:12.0pt;text-indent: 1352 -.25in;line-height:115%'>1)<span style='font:7.0pt "Times New Roman"'> 1353 </span><b><span style='font-family:"Calibri",sans-serif'>Background</span></b>: 1354 as the background was fit during the sequential refinement we should fix it 1355 here. Select any <b><span style='font-family:"Calibri",sans-serif'>PWDR</span></b> 1356 entry and choose the <b><span style='font-family:"Calibri",sans-serif'>Background</span></b> 1357 subentry for it. Clear the <b><span style='font-family:"Calibri",sans-serif'>Refine</span></b> 1358 flags and the do <b><span style='font-family:"Calibri",sans-serif'>File/Copy 3966 <p class=MsoListParagraphCxSpFirst style='margin-bottom:12.0pt;mso-add-space: 3967 auto;text-indent:-.25in;line-height:115%;mso-list:l1 level1 lfo4'><![if !supportLists]><span 3968 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1)<span 3969 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3970 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3971 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>: 3972 as the background was fit during the sequential <span class=GramE>refinement</span> 3973 we should fix it here. Select any <b style='mso-bidi-font-weight:normal'><span 3974 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3975 mso-hansi-theme-font:minor-latin'>PWDR</span></b> entry and choose the <b 3976 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3977 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> 3978 subentry for it. Clear the <b style='mso-bidi-font-weight:normal'><span 3979 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3980 mso-hansi-theme-font:minor-latin'>Refine</span></b> flags and the do <b 3981 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3982 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Copy 1359 3983 flags</span></b> selecting all data sets. This will clear all background 1360 3984 refinement flags.</p> 1361 3985 1362 <p class=MsoListParagraphCxSpMiddle style='margin-bottom:12.0pt;text-indent: 1363 -.25in;line-height:115%'>2)<span style='font:7.0pt "Times New Roman"'> 1364 </span><b><span style='font-family:"Calibri",sans-serif'>B2</span></b> phase: 1365 we do not want to refine either the microstrain, D<sub>11</sub>, or preferred 1366 orientation coefficients. Select the <b><span style='font-family:"Calibri",sans-serif'>B2</span></b> 1367 phase and its <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> 1368 tab. Clear the <b><span style='font-family:"Calibri",sans-serif'>microstrain</span></b>, 1369 <b><span style='font-family:"Calibri",sans-serif'>D<sub>11</sub></span></b> and 1370 <b><span style='font-family:"Calibri",sans-serif'>Preferred orientation</span></b> 1371 boxes. Also set the <b><span style='font-family:"Calibri",sans-serif'>Harmonic 1372 order</span></b> to zero (this will avoid a lot of nasty (but harmless) 1373 messages at the start of the refinement). Then do <b><span style='font-family: 1374 "Calibri",sans-serif'>Edit Phase/Copy flags</span></b> selecting all data to 1375 clear all the flags and an <b><span style='font-family:"Calibri",sans-serif'>Edit 1376 Phase/Copy selected data</span></b> for <b><span style='font-family:"Calibri",sans-serif'>Pref.Ori</span></b> 1377 to copy the zeroed out harmonic coefficients.</p> 1378 1379 <p class=MsoListParagraphCxSpLast style='margin-bottom:12.0pt;text-indent:-.25in; 1380 line-height:115%'>3)<span style='font:7.0pt "Times New Roman"'> 1381 </span><b><span style='font-family:"Calibri",sans-serif'>B19</span></b>: we do 1382 not want to refine either the microstrain, Dij, or preferred orientation 1383 coefficients. Select the <b><span style='font-family:"Calibri",sans-serif'>B19</span></b> 1384 phase and its <b><span style='font-family:"Calibri",sans-serif'>Data</span></b> 1385 tab. Clear the <b><span style='font-family:"Calibri",sans-serif'>microstrain</span></b>, 1386 four <b><span style='font-family:"Calibri",sans-serif'>Dij</span></b> and <b><span 1387 style='font-family:"Calibri",sans-serif'>Preferred orientation</span></b> 1388 boxes. Also set the <b><span style='font-family:"Calibri",sans-serif'>Harmonic 1389 order</span></b> to zero (this will avoid a lot of nasty (but harmless) 1390 messages at the start of the refinement). Then do <b><span style='font-family: 1391 "Calibri",sans-serif'>Edit Phase/Copy flags</span></b> selecting all data to 1392 clear all the flags and an <b><span style='font-family:"Calibri",sans-serif'>Edit 1393 Phase/Copy selected data</span></b> for <b><span style='font-family:"Calibri",sans-serif'>Pref.Ori</span></b> 1394 to copy the zeroed out harmonic coefficients.</p> 3986 <p class=MsoListParagraphCxSpMiddle style='margin-bottom:12.0pt;mso-add-space: 3987 auto;text-indent:-.25in;line-height:115%;mso-list:l1 level1 lfo4'><![if !supportLists]><span 3988 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2)<span 3989 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3990 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3991 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> 3992 phase: we do not want to refine either the <span class=SpellE>microstrain</span>, 3993 D<sub>11</sub>, or preferred orientation coefficients. Select the <b 3994 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3995 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> 3996 phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family: 3997 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3998 minor-latin'>Data</span></b> tab. Clear the <span class=SpellE><b 3999 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4000 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>, 4001 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4002 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>D<sub>11</sub></span></b> 4003 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4004 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 4005 orientation</span></b> boxes. Also set the <b style='mso-bidi-font-weight:normal'><span 4006 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4007 mso-hansi-theme-font:minor-latin'>Harmonic order</span></b> to zero (this will 4008 avoid a lot of nasty (but harmless) messages at the start of the refinement). 4009 Then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4010 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 4011 Phase/Copy flags</span></b> selecting all data to clear all the flags and an <b 4012 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4013 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 4014 Phase/Copy selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight: 4015 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4016 minor-latin;mso-hansi-theme-font:minor-latin'>Pref.Ori</span></b></span> to 4017 copy the zeroed out harmonic coefficients.</p> 4018 4019 <p class=MsoListParagraphCxSpLast style='margin-bottom:12.0pt;mso-add-space: 4020 auto;text-indent:-.25in;line-height:115%;mso-list:l1 level1 lfo4'><![if !supportLists]><span 4021 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3)<span 4022 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 4023 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4024 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b>: 4025 we do not want to refine either the <span class=SpellE>microstrain</span>, <span 4026 class=SpellE>Dij</span>, or preferred orientation coefficients. Select the <b 4027 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4028 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 4029 phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family: 4030 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 4031 minor-latin'>Data</span></b> tab. Clear the <span class=SpellE><b 4032 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4033 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>, 4034 four <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 4035 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4036 mso-hansi-theme-font:minor-latin'>Dij</span></b></span> and <b 4037 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4038 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 4039 orientation</span></b> boxes. Also set the <b style='mso-bidi-font-weight:normal'><span 4040 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4041 mso-hansi-theme-font:minor-latin'>Harmonic order</span></b> to zero (this will 4042 avoid a lot of nasty (but harmless) messages at the start of the refinement). 4043 Then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4044 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 4045 Phase/Copy flags</span></b> selecting all data to clear all the flags and an <b 4046 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4047 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit Phase/Copy 4048 selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight: 4049 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4050 minor-latin;mso-hansi-theme-font:minor-latin'>Pref.Ori</span></b></span> to 4051 copy the zeroed out harmonic coefficients.</p> 1395 4052 1396 4053 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1397 margin-left:.25in;line-height:115%'> </p>4054 margin-left:.25in;line-height:115%'><o:p> </o:p></p> 1398 4055 1399 4056 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1400 4057 margin-left:.25in;line-height:115%'>Notice that we have allowed refinement of 1401 the <b><span style='font-family:"Calibri",sans-serif'>Phase fractions</span></b>; 1402 these may change during the texture refinement. Now select the <b><span 1403 style='font-family:"Calibri",sans-serif'>Texture</span></b> tab for the <b><span 1404 style='font-family:"Calibri",sans-serif'>B2</span></b> phase (it may still have 1405 values from the Method B).</p> 4058 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4059 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Phase 4060 fractions</span></b>; these may change during the texture refinement. Now 4061 select the <b style='mso-bidi-font-weight:normal'><span style='font-family: 4062 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 4063 minor-latin'>Texture</span></b> tab for the <b style='mso-bidi-font-weight: 4064 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4065 minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> phase (it may still 4066 have values from the Method B).</p> 1406 4067 1407 4068 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1408 margin-left:.25in;line-height:115%'><img border=0 width=624 height=236 1409 id="Picture 108" 1410 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image096.png"></p> 4069 margin-left:.25in;line-height:115%'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 4070 id="Picture_x0020_108" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:468pt; 4071 height:177pt;visibility:visible;mso-wrap-style:square'> 4072 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image297.png" 4073 o:title=""/> 4074 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4075 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image298.png" 4076 v:shapes="Picture_x0020_108"><![endif]></span></p> 1411 4077 1412 4078 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1413 margin-left:.25in;line-height:115%'>You can clear these by setting the <b><span 1414 style='font-family:"Calibri",sans-serif'>Harmonic order</span></b> to zero and 1415 then back to <b><span style='font-family:"Calibri",sans-serif'>12</span></b>. 1416 Leave the <b><span style='font-family:"Calibri",sans-serif'>Refine</span></b> 1417 & <b><span style='font-family:"Calibri",sans-serif'>Show</span></b> boxes 1418 checked.</p> 4079 margin-left:.25in;line-height:115%'>You can clear these by setting the <b 4080 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4081 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Harmonic 4082 order</span></b> to zero and then back to <b style='mso-bidi-font-weight:normal'><span 4083 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4084 mso-hansi-theme-font:minor-latin'>12</span></b>. Leave the <b style='mso-bidi-font-weight: 4085 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4086 minor-latin;mso-hansi-theme-font:minor-latin'>Refine</span></b> & <b 4087 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4088 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Show</span></b> 4089 boxes checked.</p> 1419 4090 1420 4091 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1421 margin-left:.25in;line-height:115%'><img border=0 width=624 height=236 1422 id="Picture 109" 1423 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image098.png"></p> 4092 margin-left:.25in;line-height:115%'><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 4093 id="Picture_x0020_109" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:468pt; 4094 height:177pt;visibility:visible;mso-wrap-style:square'> 4095 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image299.png" 4096 o:title=""/> 4097 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4098 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image300.png" 4099 v:shapes="Picture_x0020_109"><![endif]></span></p> 1424 4100 1425 4101 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1426 margin-left:.25in;line-height:115%'>Then do the same for the <b><span 1427 style='font-family:"Calibri",sans-serif'>B19</span></b> phase. Select the <b><span 1428 style='font-family:"Calibri",sans-serif'>B19</span></b> phase and its <b><span 1429 style='font-family:"Calibri",sans-serif'>Texture</span></b> tab. Set the <b><span 1430 style='font-family:"Calibri",sans-serif'>Harmonic order</span></b> to zero and 1431 then back to <b><span style='font-family:"Calibri",sans-serif'>10</span></b>. 1432 Leave the <b><span style='font-family:"Calibri",sans-serif'>Refine</span></b> 1433 and <b><span style='font-family:"Calibri",sans-serif'>Show</span></b> boxes 1434 checked. This completes the setup for the full texture refinement.</p> 4102 margin-left:.25in;line-height:115%'>Then do the same for the <b 4103 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4104 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 4105 phase. Select the <b style='mso-bidi-font-weight:normal'><span 4106 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4107 mso-hansi-theme-font:minor-latin'>B19</span></b> phase and its <b 4108 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4109 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Texture</span></b> 4110 tab. Set the <b style='mso-bidi-font-weight:normal'><span style='font-family: 4111 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 4112 minor-latin'>Harmonic order</span></b> to zero and then back to <b 4113 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4114 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10</span></b>. 4115 Leave the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4116 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Refine</span></b> 4117 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4118 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Show</span></b> 4119 boxes checked. This completes the setup for the full texture refinement.</p> 1435 4120 1436 4121 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: 1437 4122 0in;line-height:115%'>Step 2. Texture refinement</h3> 1438 4123 1439 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do <b><span 1440 style='font-family:"Calibri",sans-serif'>Calculate/Refine</span></b> from the 1441 main menu; you will see the warning message</p> 1442 1443 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1444 width=562 height=130 id="Picture 110" 1445 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image152.png"></p> 4124 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do <b 4125 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4126 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> 4127 from the main menu; you will see the warning message</p> 4128 4129 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 4130 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_110" 4131 o:spid="_x0000_i1029" type="#_x0000_t75" style='width:421.5pt;height:97.5pt; 4132 visibility:visible;mso-wrap-style:square'> 4133 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image301.png" 4134 o:title=""/> 4135 </v:shape><![endif]--><![if !vml]><img border=0 width=562 height=130 4136 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image301.png" 4137 v:shapes="Picture_x0020_110"><![endif]></span></p> 1446 4138 1447 4139 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>In this case 1448 you do want to do a nonsequential full refinement, so press the <b><span 1449 style='font-family:"Calibri",sans-serif'>OK</span></b> button. A quick look at 1450 the console will show that there are 61 variables in this refinement. If yours 1451 shows more then you didnt clear all the flags in Step 1. The <b><span 1452 style='font-family:"Calibri",sans-serif'>Sequential results</span></b> entry is 4140 you do want to do a nonsequential full refinement, so press the <b 4141 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4142 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 4143 minor-latin'>OK</span></b> button. A quick look at the console will show that 4144 there are 61 variables in this refinement. If yours shows more then you didnt 4145 clear all the flags in Step 1. The <b style='mso-bidi-font-weight:normal'><span 4146 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4147 mso-hansi-theme-font:minor-latin'>Sequential results</span></b> entry is 1453 4148 deleted from the GSAS-II data tree. A progress bar will show giving the 1454 residuals during the refinement. When finished, select the <b><span 1455 style='font-family:"Calibri",sans-serif'>B2</span></b> phase and its <b><span 1456 style='font-family:"Calibri",sans-serif'>Texture</span></b> tab; if the Texture 1457 plot type is still <b><span style='font-family:"Calibri",sans-serif'>Inverse 1458 pole figure</span></b> (from Method B) you should see</p> 1459 1460 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1461 width=624 height=535 id="Picture 111" 1462 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image100.png"></p> 1463 1464 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>which is 1465 almost identical to that from Method A. The coefficients are seen in</p> 1466 1467 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1468 width=624 height=236 id="Picture 112" 1469 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image102.png"></p> 4149 residuals during the refinement. When finished, select the <b style='mso-bidi-font-weight: 4150 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4151 minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> phase and its <b 4152 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4153 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Texture</span></b> 4154 tab; if the Texture plot type is still <b style='mso-bidi-font-weight:normal'><span 4155 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4156 mso-hansi-theme-font:minor-latin'>Inverse pole figure</span></b> (from Method 4157 B) you should see</p> 4158 4159 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 4160 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_111" 4161 o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt;height:401.25pt; 4162 visibility:visible;mso-wrap-style:square'> 4163 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image302.png" 4164 o:title=""/> 4165 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 4166 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image303.png" 4167 v:shapes="Picture_x0020_111"><![endif]></span></p> 4168 4169 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>which is almost 4170 identical to that from Method <span class=GramE>A.</span> The coefficients are 4171 seen in</p> 4172 4173 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 4174 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_112" 4175 o:spid="_x0000_i1027" type="#_x0000_t75" style='width:468pt;height:177pt; 4176 visibility:visible;mso-wrap-style:square'> 4177 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image304.png" 4178 o:title=""/> 4179 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4180 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image305.png" 4181 v:shapes="Picture_x0020_112"><![endif]></span></p> 1470 4182 1471 4183 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now select the 1472 <b><span style='font-family:"Calibri",sans-serif'>B19</span></b> phase and its 1473 <b><span style='font-family:"Calibri",sans-serif'>Texture</span></b> tab; the 1474 inverse pole figure is</p> 1475 1476 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1477 width=624 height=535 id="Picture 113" 1478 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image104.png"></p> 1479 1480 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and also 1481 almost identical to what was obtained in Method A; the coefficients are seen in</p> 1482 1483 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><img border=0 1484 width=624 height=323 id="Picture 114" 1485 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image106.png"></p> 4184 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4185 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 4186 phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family: 4187 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 4188 minor-latin'>Texture</span></b> tab; the inverse pole figure is</p> 4189 4190 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 4191 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_113" 4192 o:spid="_x0000_i1026" type="#_x0000_t75" style='width:468pt;height:401.25pt; 4193 visibility:visible;mso-wrap-style:square'> 4194 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image306.png" 4195 o:title=""/> 4196 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 4197 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image307.png" 4198 v:shapes="Picture_x0020_113"><![endif]></span></p> 4199 4200 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and <span 4201 class=GramE>also</span> almost identical to what was obtained in Method A; the 4202 coefficients are seen in</p> 4203 4204 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 4205 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_114" 4206 o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;height:242.25pt; 4207 visibility:visible;mso-wrap-style:square'> 4208 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image308.png" 4209 o:title=""/> 4210 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=323 4211 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image309.png" 4212 v:shapes="Picture_x0020_114"><![endif]></span></p> 1486 4213 1487 4214 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>With this
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