Changeset 4937
- Timestamp:
- Jun 8, 2021 3:12:38 PM (2 years ago)
- Location:
- Tutorials/2DTexture
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
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Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II.htm
r4936 r4937 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor> 27 <o:Revision> 2</o:Revision>28 <o:TotalTime>2 288</o:TotalTime>27 <o:Revision>3</o:Revision> 28 <o:TotalTime>2310</o:TotalTime> 29 29 <o:Created>2021-06-08T17:35:00Z</o:Created> 30 <o:LastSaved>2021-06-08T 17:35:00Z</o:LastSaved>30 <o:LastSaved>2021-06-08T20:11:00Z</o:LastSaved> 31 31 <o:Pages>47</o:Pages> 32 <o:Words>440 7</o:Words>33 <o:Characters>25 121</o:Characters>32 <o:Words>4400</o:Words> 33 <o:Characters>25081</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 35 <o:Lines>209</o:Lines> 36 36 <o:Paragraphs>58</o:Paragraphs> 37 <o:CharactersWithSpaces>294 70</o:CharactersWithSpaces>37 <o:CharactersWithSpaces>29423</o:CharactersWithSpaces> 38 38 <o:Version>16.00</o:Version> 39 39 </o:DocumentProperties> … … 49 49 <w:WordDocument> 50 50 <w:View>Print</w:View> 51 <w:SpellingState>Clean</w:SpellingState> 52 <w:GrammarState>Clean</w:GrammarState> 51 53 <w:TrackMoves>false</w:TrackMoves> 52 54 <w:TrackFormatting/> … … 1268 1270 font-family:"Times New Roman",serif; 1269 1271 mso-fareast-font-family:"Times New Roman";} 1272 span.SpellE 1273 {mso-style-name:""; 1274 mso-spl-e:yes;} 1275 span.GramE 1276 {mso-style-name:""; 1277 mso-gram-e:yes;} 1270 1278 .MsoChpDefault 1271 1279 {mso-style-type:export-only; … … 1438 1446 <o:p></o:p></span></p> 1439 1447 1440 <p class=MsoNormal style='margin-bottom:0in'><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: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: 1443 1451 Calibri;mso-fareast-theme-font:minor-latin'><span style='mso-spacerun:yes'> 1444 </span>Exercise files are found <a href="data/" target="_blank">here</a> <o:p></o:p></span></p> 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> 1445 1455 1446 1456 </BL> … … 1452 1462 analysis using GSAS-II employs spherical harmonics modeling, as described by 1453 1463 Bunge, "Texture Analysis in Materials Science" (1982), and 1454 implemented by Von Dreele, J. Appl. Cryst., <b style='mso-bidi-font-weight: 1455 normal'>30</b>, 517-525 (1997) in GSAS. The even part of the orientation 1456 distribution function (ODF) via the general axis equation</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> 1457 1468 1458 1469 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc … … 1583 1594 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, take on values according 1584 1595 to the crystal and sample symmetries, respectively, and thus the two inner 1585 summations are over only the resulting unique, nonz ero harmonic terms. These1586 unique terms are automatically selected by <span style='mso-bidi-font-weight: 1587 bold'>GSAS-II</span> according to the space group symmetry and the user chosen 1588 s ample symmetry. The available sample symmetries are cylindrical symmetry, 2/m,1589 mmm and no symmetry. The choice of sample symmetry profoundly affects the1590 s election of harmonic coefficients. For example, in the case of cylindrical1591 sample symmetry (fiber texture) only <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span1596 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 1592 1603 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1593 1604 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 1648 1659 of a unit vector coincident with h relative to the reciprocal lattice. For most 1649 1660 crystal symmetries, <span style='font-family:Symbol'>f</span> is the angle 1650 between h and the n- th order major rotation axis of the space group (usually1651 the c-axis) and <span style='font-family:Symbol'>b</span> is the angle between1652 the projections of h and any secondary axis (usually the a-axis) ontothe1653 normal plane.<span style='mso-spacerun:yes'> </span>In a similar way the 1654 s ample harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span1661 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 1655 1666 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1656 1667 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 1752 1763 diffraction experiment the crystal reflection coordinates (<span 1753 1764 style='font-family:Symbol'>f</span>, <span style='font-family:Symbol'>b</span>) 1754 are determined by the choice of reflection index (hkl) while the sample coordinates 1755 (<span style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>) 1756 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> 1757 1769 1758 1770 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1759 1771 margin-left:0in;line-height:115%'>To define the sample coordinates (<span 1760 1772 style='font-family:Symbol'>y</span>, <span style='font-family:Symbol'>g</span>), 1761 we have defined an instrument coordinate system (I, J, K) such that K is normal 1762 to the diffraction plane and J is coincident with the direction of the incident 1763 radiation beam toward the source. We further define a standard set of 1764 right-handed goniometer eulerian angles (<span style='font-family:Symbol'>W</span>, 1765 <span style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F</span>) 1766 so that <span style='font-family:Symbol'>W</span> and <span style='font-family: 1767 Symbol'>F</span> are rotations about K and <span style='font-family:Symbol'>C</span> 1768 is a rotation about J when <span style='font-family:Symbol'>W</span> <span 1773 we have defined an instrument coordinate system (I, J, K) such that K is parallel 1774 to the diffraction vector and J is coincident with the direction of the 1775 incident 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 1769 1782 style='font-family:Symbol'><span style='mso-spacerun:yes'> </span></span>= 1770 1783 0.<span style='mso-spacerun:yes'> </span>Finally, as the sample may be mounted 1771 1784 so that the sample coordinate system (I<sub>s</sub>, J<sub>s</sub>, K<sub>s</sub>) 1772 1785 does not coincide with the instrument coordinate system (I, J, K), we define 1773 three eulerian sample rotation offset angles (<span style='font-family:Symbol'>W</span><sub>s</sub>,1774 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 1775 Symbol'>F</span><sub>s</sub>) that describe the rotation from (I<sub>s</sub>, J<sub>s</sub>, 1776 K<sub>s</sub>) to (I, J, K).<span style='mso-spacerun:yes'> </span>The sample 1777 rotation angles are defined so that with the goniometer angles at zero <span 1778 style='font-family:Symbol'>W</span><sub>s</sub> and <span style='font-family: 1779 Symbol'>F</span><sub>s</sub> are rotations about K and <span style='font-family: 1780 Symbol'>C</span><sub>s</sub> is a rotation about J.<span 1781 style='mso-spacerun:yes'> </span>The zeros of these three sample rotation 1782 angles can be refined as part of the Rietveld analysis to accommodate any 1783 an gular offset in sample mounting. After including the diffraction angle, <span1786 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> 1792 and <span style='font-family:Symbol'>F</span><sub>s</sub> are rotations about K 1793 and <span style='font-family:Symbol'>C</span><sub>s</sub> is a rotation about 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 1784 1797 style='font-family:Symbol'>Q</span>, and a detector azimuthal angle, A, the 1785 1798 full rotation matrix, <b style='mso-bidi-font-weight:normal'>M</b>, is </p> … … 1791 1804 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>F</span>+</b><b 1792 1805 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>F</span><sub>s</sub>)</b><b 1793 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><s ub>s</sub></b><b1794 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>W</span><sub>s</sub><o:p></o:p></b></p>1806 style='mso-bidi-font-weight:normal'><span style='font-family:Symbol'>C</span><span 1807 class=SpellE><sub>s</sub><span style='font-family:Symbol'>W</span><sub>s</sub></span><o:p></o:p></b></p> 1795 1808 1796 1809 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 1801 1814 1802 1815 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 1803 margin-left:0in;line-height:115%'>< i>cos</i>(<span style='font-family:Symbol'>y</span>)1804 = <!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span 1805 style=' font-family:"Cambria Math",serif'><m:r>M</m:r></span></i><m:d><m:dPr><span1816 margin-left:0in;line-height:115%'><span class=GramE><i>cos</i>(</span><span 1817 style='font-family:Symbol'>y</span>) = <!--[if gte msEquation 12]><m:oMath><i 1818 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 1806 1819 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 1807 1820 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 2307 2320 v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2308 2321 style='mso-spacerun:yes'> </span>are combined depending on the symmetry and the 2309 value of m along with appropriate no rmalization coefficients to give the2310 harmonic terms <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span2322 value of m along with appropriate no<span class=SpellE>rmalization</span> 2323 coefficients to give the harmonic terms <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span 2311 2324 style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math"; 2312 2325 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: … … 2466 2479 </v:shape><![endif]--><![if !vml]><img width=29 height=35 2467 2480 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image048.png" 2468 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample orientation2469 angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span2481 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample 2482 orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span 2470 2483 style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>, 2471 2484 all of which can be adjustable parameters of the refinement. Once the … … 2556 2569 to accommodate the two possible uses of this correction. In one, a suite of 2557 2570 spherical harmonics coefficients is defined for the texture of a phase in the 2558 sample; this can have any of the possible sample symmetries and is the usual result2559 desired for texture analysis. The other is the suite of spherical harmonics 2560 terms for cylindrical sample symmetry for each phase in each powder pattern 2561 (histogram) and is usually used to accommodate preferred orientation effects 2562 in a Rietveld refinement. The former description allows refinement of the 2563 sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>, 2564 <span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family: 2565 Symbol'>F</span><sub>s</sub>, but the latter description does not (they are assumed 2566 to be zero and not refinable). The sample orientation angles, (<span 2567 s tyle='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,2568 <span style='font-family:Symbol'>F) </span>are specified in the Sample2569 Parameters table in the GSAS-II data tree structure and are applied for either 2570 description.</p>2571 sample; this can have any of the possible sample symmetries and is the usual 2572 result desired for texture analysis. The other is the suite of spherical 2573 harmonics terms for cylindrical sample symmetry with the cylinder axis parallel 2574 to K for each phase in each powder pattern (histogram) and is usually used to 2575 accommodate preferred orientation effects in a Rietveld refinement. The former 2576 description allows refinement of the sample orientation zeros, <span 2577 style='font-family:Symbol'>W</span><sub>s</sub>, <span style='font-family:Symbol'>C</span><sub>s</sub>, 2578 <span style='font-family:Symbol'>F</span><sub>s</sub>, but the latter 2579 description does not (they are assumed to be zero and not refinable). The 2580 sample orientation angles, (<span style='font-family:Symbol'>W</span>, <span 2581 style='font-family:Symbol'>C</span>, <span style='font-family:Symbol'>F) </span>are 2582 specified in the Sample Parameters table in the GSAS-II data tree structure and 2583 are applied for either description.</p> 2571 2584 2572 2585 <p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; 2573 2586 margin-left:0in;line-height:115%'>In this tutorial we will use both of these 2574 descriptions to determine the texture of the two phases in a NiTi shape memory 2575 alloy sample with cylindrical symmetry (wire texture) as collected at APS on 2576 beam line 1ID-C (data kindly provided by Paul Paradise & Aaron Stebner of 2577 Colo. School of Mines). Thus, there are three ways within GSAS-II that can be 2578 used for this texture analysis all beginning with the same 2D area detector 2579 image. Each will be described in turn after the initial setup of the GSAS-II 2580 project, image input & integration.</p> 2587 descriptions to determine the texture of the two phases in a <span 2588 class=SpellE>NiTi</span> shape memory alloy sample with cylindrical symmetry 2589 (wire texture) as collected at APS on beam line 1ID-C (data kindly provided by 2590 Paul Paradise & Aaron <span class=SpellE>Stebner</span> of Colo. School of 2591 Mines). Thus, there are three ways within GSAS-II that can be used for this 2592 texture analysis all beginning with the same 2D area detector image. Each will 2593 be described in turn after the initial setup of the GSAS-II project, image 2594 input & integration.</p> 2581 2595 2582 2596 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 2621 2635 o:title=""/> 2622 2636 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 2623 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 052.png"2637 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image161.png" 2624 2638 v:shapes="Picture_x0020_58"><![endif]></span></p> 2625 2639 … … 2636 2650 o:title=""/> 2637 2651 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2638 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 054.png"2652 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image162.png" 2639 2653 v:shapes="Picture_x0020_59"><![endif]></span></p> 2640 2654 2641 2655 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The detector 2642 was previously calibrated and the coefficients are stored in a file found by 2643 doing <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2644 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Parms/Load 2656 was previously <span class=GramE>calibrated</span> and the coefficients are 2657 stored in a file found by doing <span class=SpellE><b style='mso-bidi-font-weight: 2658 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2659 minor-latin;mso-hansi-theme-font:minor-latin'>Parms</span></b></span><b 2660 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2661 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>/Load 2645 2662 Controls</span></b> from the <b style='mso-bidi-font-weight:normal'><span 2646 2663 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; … … 2663 2680 o:title=""/> 2664 2681 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2665 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 056.png"2682 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image163.png" 2666 2683 v:shapes="Picture_x0020_60"><![endif]></span></p> 2667 2684 … … 2677 2694 suppressed by adjusting the <b style='mso-bidi-font-weight:normal'><span 2678 2695 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2679 mso-hansi-theme-font:minor-latin'>Flat Bkg</span></b> (I chose <b2680 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;2696 mso-hansi-theme-font:minor-latin'>Flat <span class=SpellE>Bkg</span></span></b> 2697 (I chose <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2681 2698 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>1700</span></b> 2682 2699 for this). The image will now show the rings much more clearly.</p> … … 2689 2706 o:title=""/> 2690 2707 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2691 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 058.png"2708 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image164.png" 2692 2709 v:shapes="Picture_x0020_61"><![endif]></span></p> 2693 2710 … … 2698 2715 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2699 2716 minor-latin'>mm</span></b> symmetry so that the unique part of this intensity 2700 variation covers 0-90° of azimuth. In addition the ring intensity variation is 2701 such that using 10° slices will capture it reasonably well. However, we want to 2702 include both 0° and 90° as slice centers. Thus there will be 10 slices 2703 beginning at -5° and ending at 95°. Check the <b style='mso-bidi-font-weight: 2717 variation covers 0-90° of azimuth. In <span class=GramE>addition</span> the 2718 ring intensity variation is such that using 10° slices will capture it reasonably 2719 well. However, we want to include both 0° and 90° as slice centers. <span 2720 class=GramE>Thus</span> there will be 10 slices beginning at -5° and ending at 2721 95°. Check the <b style='mso-bidi-font-weight:normal'><span style='font-family: 2722 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2723 minor-latin'>Show integration limits?</span></b> box and uncheck the <b 2724 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2725 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Do full 2726 integration? </span></b>box, enter <b style='mso-bidi-font-weight:normal'><span 2727 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2728 mso-hansi-theme-font:minor-latin'>10</span></b> in the <b style='mso-bidi-font-weight: 2704 2729 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2705 minor-latin;mso-hansi-theme-font:minor-latin'>Show integration limits?</span></b> 2706 box and uncheck the <b style='mso-bidi-font-weight:normal'><span 2707 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2708 mso-hansi-theme-font:minor-latin'>Do full integration? </span></b>box, enter <b 2709 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2710 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10</span></b> 2730 minor-latin;mso-hansi-theme-font:minor-latin'>No. azimuth bins</span></b>, 2731 enter <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2732 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-5</span></b> 2711 2733 in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2712 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>No. azimuth 2713 bins</span></b>, enter <b style='mso-bidi-font-weight:normal'><span 2714 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2715 mso-hansi-theme-font:minor-latin'>-5</span></b> in the <b style='mso-bidi-font-weight: 2734 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Start 2735 azimuth</span></b> box (it will change to 355) and enter <b style='mso-bidi-font-weight: 2716 2736 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2717 minor-latin;mso-hansi-theme-font:minor-latin'>Start azimuth</span></b> box (it 2718 will change to 355) and enter <b style='mso-bidi-font-weight:normal'><span 2719 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2720 mso-hansi-theme-font:minor-latin'>455</span></b> in the <b style='mso-bidi-font-weight: 2721 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2722 minor-latin;mso-hansi-theme-font:minor-latin'>End azimuth</span></b> box. In 2723 addition, recall that the sample was mounted vertically and thus is aligned 2724 with the defined laboratory I axis. Thus, the sample coordinate system needs to 2725 be rotated by 90° to match the sample axis with the K axis; this can be done by 2726 making the <b style='mso-bidi-font-weight:normal'><span style='font-family: 2727 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2728 minor-latin'>Sample goniometer axis Chi</span></b> = <b style='mso-bidi-font-weight: 2729 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2730 minor-latin;mso-hansi-theme-font:minor-latin'>90</span></b>. The plot will 2731 change with each entry and at the end should look like</p> 2737 minor-latin;mso-hansi-theme-font:minor-latin'>455</span></b> in the <b 2738 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2739 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>End azimuth</span></b> 2740 box. In addition, recall that the sample was mounted vertically and thus is 2741 aligned with the defined laboratory I axis. Thus, the sample coordinate system 2742 needs to be rotated by 90° to match the sample axis with the K axis; this can 2743 be done by making the <b style='mso-bidi-font-weight:normal'><span 2744 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2745 mso-hansi-theme-font:minor-latin'>Sample goniometer axis Chi</span></b> = <b 2746 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2747 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>90</span></b>. 2748 The plot will change with each entry and at the end should look like</p> 2732 2749 2733 2750 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 2738 2755 o:title=""/> 2739 2756 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2740 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 060.png"2757 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image165.png" 2741 2758 v:shapes="Picture_x0020_62"><![endif]></span></p> 2742 2759 … … 2753 2770 o:title=""/> 2754 2771 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=389 2755 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 062.png"2772 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image166.png" 2756 2773 v:shapes="Picture_x0020_63"><![endif]></span></p> 2757 2774 … … 2770 2787 o:title=""/> 2771 2788 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=191 2772 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 064.png"2789 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image167.png" 2773 2790 v:shapes="Picture_x0020_64"><![endif]></span></p> 2774 2791 … … 2778 2795 threshold</span></b> to <b style='mso-bidi-font-weight:normal'><span 2779 2796 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2780 mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn reflecting 2781 this mask. By zooming in you may see isolated red pixels; these are excluded 2782 points. Make sure the diffraction rings do not have any excluded points. For 2783 example with the level set to 2200 the plot shows</p> 2797 mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn 2798 reflecting this mask. By zooming in you may see isolated red pixels; these are 2799 excluded points. Make sure the diffraction rings do not have any excluded 2800 points. For <span class=GramE>example</span> with the level set to 2200 the 2801 plot shows</p> 2784 2802 2785 2803 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 2790 2808 o:title=""/> 2791 2809 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2792 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 066.png"2810 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image168.png" 2793 2811 v:shapes="Picture_x0020_65"><![endif]></span></p> 2794 2812 … … 2815 2833 o:title=""/> 2816 2834 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=522 2817 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 068.png"2835 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image169.png" 2818 2836 v:shapes="Picture_x0020_66"><![endif]></span></p> 2819 2837 2820 2838 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: 2821 0in;line-height:115%'>Step 2. Enter NiTiphases</h2>2822 2823 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This NiTi2824 alloy consists of two phases, cubic B2 and monoclinic B19. Their parameters 2825 are:<br>2839 0in;line-height:115%'>Step 2. Enter <span class=SpellE>NiTi</span> phases</h2> 2840 2841 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This <span 2842 class=SpellE>NiTi</span> alloy consists of two phases, cubic B2 and monoclinic 2843 B19. Their parameters are:<br> 2826 2844 B2: <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2827 2845 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>P m 3 m</span></b>, … … 2830 2848 Ni <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2831 2849 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0,0,0</span></b>, 2832 Ti <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2833 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>œ,œ,œ</span></b>, 2834 U<sub>iso</sub>=<b style='mso-bidi-font-weight:normal'><span style='font-family: 2835 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2836 minor-latin'>0.005 </span></b>for both.<br> 2850 <span class=SpellE>Ti</span> <b style='mso-bidi-font-weight:normal'><span 2851 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2852 mso-hansi-theme-font:minor-latin'>œ,œ,œ</span></b>, <span class=SpellE>U<sub>iso</sub></span>=<b 2853 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2854 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.005 </span></b>for 2855 both.<br> 2837 2856 B19:<span style='mso-spacerun:yes'> </span><b style='mso-bidi-font-weight: 2838 2857 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: … … 2846 2865 γ=<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2847 2866 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>96.821</span></b>, 2848 Ti <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2849 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.5787,0.2841,Œ</span></b>, 2850 Ni <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2867 <span class=SpellE>Ti</span> <b style='mso-bidi-font-weight:normal'><span 2868 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2869 mso-hansi-theme-font:minor-latin'>0.5787,0.2841,Œ</span></b>, Ni <b 2870 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2851 2871 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0.9700,0.8209,Œ</span></b>, 2852 U<sub>iso</sub>=<b style='mso-bidi-font-weight:normal'><span style='font-family: 2853 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2854 m inor-latin'>0.005</span></b> for both.<br>2872 <span class=SpellE>U<sub>iso</sub></span>=<b style='mso-bidi-font-weight:normal'><span 2873 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2874 mso-hansi-theme-font:minor-latin'>0.005</span></b> for both.<br> 2855 2875 Use the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2856 2876 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data/Add new … … 2889 2909 o:title=""/> 2890 2910 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 2891 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 070.png"2911 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image170.png" 2892 2912 v:shapes="Picture_x0020_68"><![endif]></span></p> 2893 2913 … … 2902 2922 o:title=""/> 2903 2923 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 2904 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 072.png"2924 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image171.png" 2905 2925 v:shapes="Picture_x0020_69"><![endif]></span></p> 2906 2926 … … 2925 2945 o:title=""/> 2926 2946 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=434 2927 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 074.png"2947 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image172.png" 2928 2948 v:shapes="Picture_x0020_70"><![endif]></span></p> 2929 2949 … … 2938 2958 o:title=""/> 2939 2959 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=455 2940 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 076.png"2960 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image173.png" 2941 2961 v:shapes="Picture_x0020_71"><![endif]></span></p> 2942 2962 2943 2963 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>You should now 2944 save the project file (I used <b style='mso-bidi-font-weight:normal'><span 2945 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2946 mso-hansi-theme-font:minor-latin'>NiTi</span></b> for a name); we will use this 2947 as a starting point for three different texture determinations. Do a <b 2948 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2949 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save 2950 project as 2951 </span></b> and give it a new name (I used <b style='mso-bidi-font-weight: 2964 save the project file (I used <span class=SpellE><b style='mso-bidi-font-weight: 2952 2965 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2953 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi-A</span></b>); this will 2954 become the new project name for the next part of this tutorial.</p> 2966 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span> for a 2967 name); we will use this as a starting point for three different texture 2968 determinations. Do a <b style='mso-bidi-font-weight:normal'><span 2969 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2970 mso-hansi-theme-font:minor-latin'>File/Save project as 2971 </span></b> and give it 2972 a new name (I used <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 2973 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2974 mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b style='mso-bidi-font-weight: 2975 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2976 minor-latin;mso-hansi-theme-font:minor-latin'>-A</span></b>); this will become 2977 the new project name for the next part of this tutorial.</p> 2955 2978 2956 2979 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 2967 2990 histogram has a set of parameters (e.g. phase fraction, size, mustrain & 2968 2991 hydrostatic strain) in addition to the ones for each histogram (e.g. background 2969 & scale factor). Consequently the total number of parameters can build up2970 very quickly in this method of analysis. The other two methods seek to reduce 2971 this problem by splitting the fitting into a sequential refinement (histogram 2972 by histogram) step followed by a texture fitting step.</p>2992 & scale factor). <span class=GramE>Consequently</span> the total number of 2993 parameters can build up very quickly in this method of analysis. The other two 2994 methods seek to reduce this problem by splitting the fitting into a sequential 2995 refinement (histogram by histogram) step followed by a texture fitting step.</p> 2973 2996 2974 2997 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 2988 3011 reflected in the name assigned to the histogram (e.g. <b style='mso-bidi-font-weight: 2989 3012 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 2990 minor-latin;mso-hansi-theme-font:minor-latin'>PWDR NDC5_01588_1.ge2 Azm= 40.00</span></b>). 2991 Uncheck the <b style='mso-bidi-font-weight:normal'><span style='font-family: 3013 minor-latin;mso-hansi-theme-font:minor-latin'>PWDR NDC5_01588_1.ge2 <span 3014 class=SpellE>Azm</span>= 40.00</span></b>). Uncheck the <b style='mso-bidi-font-weight: 3015 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3016 minor-latin;mso-hansi-theme-font:minor-latin'>Histogram scale factor</span></b> 3017 box and then do <b style='mso-bidi-font-weight:normal'><span style='font-family: 2992 3018 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2993 minor-latin'>Histogram scale factor</span></b> box and then do <b 2994 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 2995 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Command/Copy 2996 flags</span></b>; select <b style='mso-bidi-font-weight:normal'><span 2997 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2998 mso-hansi-theme-font:minor-latin'>Set All</span></b> and then press <b 2999 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3019 minor-latin'>Command/Copy flags</span></b>; select <b style='mso-bidi-font-weight: 3020 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3021 minor-latin;mso-hansi-theme-font:minor-latin'>Set All</span></b> and then press 3022 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3000 3023 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>. 3001 3024 That will clear the scale factor refinement flag for all histograms; we will be … … 3012 3035 o:title=""/> 3013 3036 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=471 3014 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 078.png"3037 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image174.png" 3015 3038 v:shapes="Picture_x0020_72"><![endif]></span></p> 3016 3039 … … 3048 3071 o:title=""/> 3049 3072 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3050 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 080.png"3073 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image175.png" 3051 3074 v:shapes="Picture_x0020_73"><![endif]></span></p> 3052 3075 … … 3072 3095 o:title=""/> 3073 3096 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=219 3074 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 082.png"3097 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image176.png" 3075 3098 v:shapes="Picture_x0020_74"><![endif]></span></p> 3076 3099 … … 3087 3110 minor-latin'>Refine texture</span></b> and <b style='mso-bidi-font-weight:normal'><span 3088 3111 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3089 mso-hansi-theme-font:minor-latin'>Show coeff</span></b>. The window should look3090 like</p>3112 mso-hansi-theme-font:minor-latin'>Show <span class=SpellE>coeff</span></span></b>. 3113 The window should look like</p> 3091 3114 3092 3115 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3097 3120 o:title=""/> 3098 3121 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=232 3099 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 084.png"3122 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image177.png" 3100 3123 v:shapes="Picture_x0020_75"><![endif]></span></p> 3101 3124 … … 3117 3140 o:title=""/> 3118 3141 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=321 3119 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 086.png"3142 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image178.png" 3120 3143 v:shapes="Picture_x0020_76"><![endif]></span></p> 3121 3144 … … 3147 3170 o:title=""/> 3148 3171 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=303 3149 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 088.png"3172 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image179.png" 3150 3173 v:shapes="Picture_x0020_77"><![endif]></span></p> 3151 3174 … … 3155 3178 tab for the <b style='mso-bidi-font-weight:normal'><span style='font-family: 3156 3179 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3157 minor-latin'>B19</span></b> phase and check all 4 of the < b style='mso-bidi-font-weight:3158 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3159 m inor-latin;mso-hansi-theme-font:minor-latin'>Dij</span></b> boxes and do <b3160 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3161 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3162 Phase/Copy flags</span></b> as before. The tab will look like</p>3180 minor-latin'>B19</span></b> phase and check all 4 of the <span class=SpellE><b 3181 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3182 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Dij</span></b></span> 3183 boxes and do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3184 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3185 minor-latin'>Edit Phase/Copy flags</span></b> as before. The tab will look like</p> 3163 3186 3164 3187 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3169 3192 o:title=""/> 3170 3193 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=360 3171 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 090.png"3194 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image180.png" 3172 3195 v:shapes="Picture_x0020_78"><![endif]></span></p> 3173 3196 … … 3175 3198 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3176 3199 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> 3177 from the main menu. The refinement will finish with Rw ~27%; the 1<sup>st</sup>3178 PWDR pattern looks like</p>3200 from the main menu. The refinement will finish with <span class=SpellE>Rw</span> 3201 ~27%; the 1<sup>st</sup> PWDR pattern looks like</p> 3179 3202 3180 3203 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3185 3208 o:title=""/> 3186 3209 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3187 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 092.png"3210 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image181.png" 3188 3211 v:shapes="Picture_x0020_79"><![endif]></span></p> 3189 3212 3190 3213 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The calculated 3191 peaks for both phases are too sharp. It is likely that this is a microstrain 3192 effect. Select <b style='mso-bidi-font-weight:normal'><span style='font-family: 3214 peaks for both phases are too sharp. It is likely that this is a <span 3215 class=SpellE>microstrain</span> effect. Select <b style='mso-bidi-font-weight: 3216 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3217 minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> for the <b 3218 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3219 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2 </span></b>phase 3220 and select the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 3221 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3222 mso-hansi-theme-font:minor-latin'>microstrain</span></b></span> box. Then do <b 3223 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3224 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3225 Phase/Copy flags</span></b> to set it for the other PWDR data sets. Do the same 3226 for the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3227 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 3228 phase. Then do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3193 3229 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3194 minor-latin'>Data</span></b> for the <b style='mso-bidi-font-weight:normal'><span 3195 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3196 mso-hansi-theme-font:minor-latin'>B2 </span></b>phase and select the <b 3197 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3198 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b> 3199 box. Then do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3200 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3201 minor-latin'>Edit Phase/Copy flags</span></b> to set it for the other PWDR data 3202 sets. Do the same for the <b style='mso-bidi-font-weight:normal'><span 3203 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3204 mso-hansi-theme-font:minor-latin'>B19</span></b> phase. Then do <b 3205 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3206 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Calculate/Refine</span></b> 3207 from the main menu. The fit will be substantially improved with Rw ~10%.</p> 3230 minor-latin'>Calculate/Refine</span></b> from the main menu. The fit will be 3231 substantially improved with <span class=SpellE>Rw</span> ~10%.</p> 3208 3232 3209 3233 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 3211 3235 3212 3236 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Looking at the 3213 individual PWDR data sets (e.g. the one for Azm=20.00)</p>3237 individual PWDR data sets (e.g. the one for <span class=SpellE>Azm</span>=20.00)</p> 3214 3238 3215 3239 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3220 3244 o:title=""/> 3221 3245 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3222 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 094.png"3246 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image182.png" 3223 3247 v:shapes="Picture_x0020_80"><![endif]></span></p> 3224 3248 3225 3249 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It is evident 3226 that there remains intensity differences due to texture. We can increase the 3227 harmonic order to more closely fit these, however one should only do this 3228 carefully. Select the Texture tab for the B2 phase; the Texture tab will show</p> 3250 that there <span class=GramE>remains</span> intensity differences due to 3251 texture. We can increase the harmonic order to more closely fit these, however 3252 one should only do this carefully. Select the Texture tab for the B2 phase; the 3253 Texture tab will show</p> 3229 3254 3230 3255 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3235 3260 o:title=""/> 3236 3261 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=257 3237 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 096.png"3262 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image183.png" 3238 3263 v:shapes="Picture_x0020_81"><![endif]></span></p> 3239 3264 3240 3265 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>And a drawing 3241 of the 001 pole figure will be drawn. This is the very typical bulls eye for 3242 cylindrical texture; of much more use is an inverse pole figure. Select that 3243 from the Texture plot type; the plot will be redrawn</p> 3266 of the <span class=GramE>001 pole</span> figure will be drawn. This is the very 3267 typical <span class=GramE>bulls</span> eye for cylindrical texture; of much 3268 more use is an inverse pole figure. Select that from the Texture plot type; the 3269 plot will be redrawn</p> 3244 3270 3245 3271 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3250 3276 o:title=""/> 3251 3277 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3252 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 098.png"3278 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image184.png" 3253 3279 v:shapes="Picture_x0020_82"><![endif]></span></p> 3254 3280 … … 3259 3285 3260 3286 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next go to the 3261 Texture tab for the B19 phase. Again a bullseye pole figure is drawn; change3262 that to an Inverse pole figure.</p>3287 Texture tab for the B19 phase. <span class=GramE>Again</span> a bullseye pole 3288 figure is drawn; change that to an Inverse pole figure.</p> 3263 3289 3264 3290 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3269 3295 o:title=""/> 3270 3296 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3271 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 00.png"3297 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image185.png" 3272 3298 v:shapes="Picture_x0020_83"><![endif]></span></p> 3273 3299 3274 3300 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This phase is very 3275 3301 strongly textured (the cursor shows 12-13 MRD at the peaks) along the -140 3276 direction. Again we want to increment the Harmonic order to the next higher 3277 level (8). Again do Calculate/Refine from the main menu; the Rwp has dropped to 3278 ~8.9%. One can add the atom Uiso for the Ni and Ti atoms in the B2 phase and 3279 the coordinates and Uiso for the B19 phase. The Rw drops a bit further to 3280 ~8.4%. Finally, we can increase the harmonic order again for the B19 phase (it 3281 is very strongly textured!) to 10 and the B2 phase to 12; the final refinement 3282 converged to Rw ~7.8% and the B19 inverse pole figure has peaks at ~18 MRD 3283 (Multiple of Random Distribution) and the B2 phase peaks are ~7MRD.</p> 3302 direction. <span class=GramE>Again</span> we want to increment the Harmonic 3303 order to the next higher level (8). <span class=GramE>Again</span> do 3304 Calculate/Refine from the main menu; the <span class=SpellE>Rwp</span> has 3305 dropped to ~8.9%. One can add the atom <span class=SpellE>Uiso</span> for the 3306 Ni and <span class=SpellE>Ti</span> atoms in the B2 phase and the coordinates 3307 and <span class=SpellE>Uiso</span> for the B19 phase. The <span class=SpellE>Rw</span> 3308 drops a bit further to ~8.4%. Finally, we can increase the harmonic order again 3309 for the B19 phase (it is very strongly textured!) to 10 and the B2 phase to 3310 12; the final refinement converged to <span class=SpellE>Rw</span> ~7.8% and 3311 the B19 inverse pole figure has peaks at ~18 MRD (Multiple of Random 3312 Distribution) and the B2 phase peaks are ~7MRD.</p> 3284 3313 3285 3314 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The B19 … … 3293 3322 o:title=""/> 3294 3323 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=317 3295 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 02.png"3324 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image186.png" 3296 3325 v:shapes="Picture_x0020_84"><![endif]></span></p> 3297 3326 … … 3306 3335 o:title=""/> 3307 3336 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3308 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 04.png"3337 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image187.png" 3309 3338 v:shapes="Picture_x0020_85"><![endif]></span></p> 3310 3339 … … 3319 3348 o:title=""/> 3320 3349 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=224 3321 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 06.png"3350 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image188.png" 3322 3351 v:shapes="Picture_x0020_86"><![endif]></span></p> 3323 3352 … … 3332 3361 o:title=""/> 3333 3362 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3334 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 08.png"3363 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image189.png" 3335 3364 v:shapes="Picture_x0020_87"><![endif]></span></p> 3336 3365 3337 3366 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This completes 3338 the tutorial on Method A for doing texture analysis. It is useful for a case like3339 this one where there are very few data sets required for the texture analysis. 3340 However, for the case of lower sample symmetry one must several dozen or even a 3341 few hundred histograms and then the suite of parameters can easily be > 1000 3342 of which only a few dozen describe the texture. This leads to the next Methods 3343 for texture analysis in GSAS-II.</p>3367 the tutorial on Method A for doing texture analysis. It is useful for a case 3368 like this one where there are very few data sets required for the texture 3369 analysis. However, for the case of lower sample symmetry one must several dozen 3370 or even a few hundred histograms and then the suite of parameters can easily be 3371 > 1000 of which only a few dozen describe the texture. This leads to the 3372 next Methods for texture analysis in GSAS-II.</p> 3344 3373 3345 3374 <h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 3351 3380 3352 3381 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins 3353 the texture analysis in much the same way as Method A except that all the 3354 initial refinements are done sequentially, that is refinements are done for 3355 theparameters associated with each powder pattern to convergence in a serial3382 the texture analysis in much the same way as Method A except that all the initial 3383 refinements are done sequentially, that is refinements are done for the 3384 parameters associated with each powder pattern to convergence in a serial 3356 3385 fashion. In this case where there are 10 PWDR data sets, there will be 10 3357 3386 refinements done in sequence. Parameters that span all the data (e.g. lattice … … 3361 3390 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3362 3391 mso-hansi-theme-font:minor-latin'>File/Open project 3363 </span></b> for the <b 3364 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3365 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>NiTi.gpx</span></b> 3366 file created in the first step and then do a <b style='mso-bidi-font-weight: 3392 </span></b> for the <span 3393 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: 3394 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3395 minor-latin'>NiTi.gpx</span></b></span> file created in the first step and then 3396 do a <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3397 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save 3398 project as 3399 </span></b> to save it as <span class=SpellE><b style='mso-bidi-font-weight: 3367 3400 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3368 minor-latin;mso-hansi-theme-font:minor-latin'>File/Save project as 3369 </span></b> 3370 to save it as <b style='mso-bidi-font-weight:normal'><span style='font-family: 3371 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3372 minor-latin'>NiTi-B</span></b>. This renames the project and it should have one 3373 IMG, 10 PWDR entries and two phases of NiTi (B2 and B19).</p> 3401 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b 3402 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3403 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-B</span></b>. 3404 This renames the project and it should have one IMG, 10 PWDR entries and two 3405 phases of <span class=SpellE>NiTi</span> (B2 and B19).</p> 3374 3406 3375 3407 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 3377 3409 3378 3410 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins 3379 the same way as Method A so Ill be brief. Do the following steps:</p> 3411 the same way as Method <span class=GramE>A</span> so Ill be brief. Do the 3412 following steps:</p> 3380 3413 3381 3414 <p class=MsoListParagraphCxSpFirst style='margin-bottom:12.0pt;mso-add-space: … … 3446 3479 o:title=""/> 3447 3480 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=191 3448 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 10.png"3481 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image190.png" 3449 3482 v:shapes="Picture_x0020_88"><![endif]></span></p> 3450 3483 … … 3471 3504 o:title=""/> 3472 3505 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=199 3473 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 12.png"3506 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image191.png" 3474 3507 v:shapes="Picture_x0020_89"><![endif]></span></p> 3475 3508 … … 3501 3534 o:title=""/> 3502 3535 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=176 3503 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 14.png"3536 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image192.png" 3504 3537 v:shapes="Picture_x0020_90"><![endif]></span></p> 3505 3538 3506 3539 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>There is a row 3507 for each data set and columns for all refined parameters and some derived ones along3508 with residual and convergence indicators. The residuals are not very good (we 3509 havent really refined much) but the Δχ<sup>2</sup> column shows that 3510 convergence was achieved (NB: poor convergence will be highlighted in yellow or 3511 red depending on how bad it is).</p>3540 for each data set and columns for all refined parameters and some derived ones 3541 along with residual and convergence indicators. The residuals are not very good 3542 (we havent really refined much) but the Δχ<sup>2</sup> column shows 3543 that convergence was achieved (NB: poor convergence will be highlighted in 3544 yellow or red depending on how bad it is).</p> 3512 3545 3513 3546 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>If you examine … … 3522 3555 o:title=""/> 3523 3556 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3524 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 16.png"3557 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image193.png" 3525 3558 v:shapes="Picture_x0020_91"><![endif]></span></p> 3526 3559 … … 3587 3620 3588 3621 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next do the 3589 same thing for the B19 phase; here there are 4 <b style='mso-bidi-font-weight: 3590 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3591 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Dij 3592 </span></b>parameters to check (do all of them) and use spherical harmonics 3593 order <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3622 same thing for the B19 phase; here there are 4 <span class=SpellE><b 3623 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3594 3624 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3595 minor-latin'>4</span></b>. When done that Data window will look like</p> 3625 minor-latin'>Dij</span></b></span><b style='mso-bidi-font-weight:normal'><span 3626 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3627 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> </span></b>parameters 3628 to check (do all of them) and use spherical harmonics order <b 3629 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3630 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3631 minor-latin'>4</span></b>. When done that Data window will look <span 3632 class=GramE>like</span></p> 3596 3633 3597 3634 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3602 3639 o:title=""/> 3603 3640 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=421 3604 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 20.png"3641 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image194.png" 3605 3642 v:shapes="Picture_x0020_93"><![endif]></span></p> 3606 3643 … … 3611 3648 refine</span></b>. Be careful not (by habit say) pick Refine; a warning popup 3612 3649 will appear. After it completes the Sequential refinement results shows that 3613 the fit is better but convergence wasnt quite complete.</p> 3650 the fit is <span class=GramE>better</span> but convergence wasnt quite 3651 complete.</p> 3614 3652 3615 3653 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3620 3658 o:title=""/> 3621 3659 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3622 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 22.png"3660 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image195.png" 3623 3661 v:shapes="Picture_x0020_95"><![endif]></span></p> 3624 3662 … … 3634 3672 o:title=""/> 3635 3673 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3636 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 24.png"3674 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image196.png" 3637 3675 v:shapes="Picture_x0020_96"><![endif]></span></p> 3638 3676 … … 3640 3678 experience in Method A, the calculated peaks are too sharp. We need to vary the 3641 3679 mustrain parameters for both phases. Go to the Data tab for each phase, check 3642 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3643 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3644 minor-latin'>microstrain</span></b> box and do <b style='mso-bidi-font-weight: 3645 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3646 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit 3647 Phase/Copy flags</span></b> for all the data sets. Then do another <b 3648 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3649 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3650 minor-latin'>Calculate/Sequential refine</span></b>. My Sequential refinement 3651 results showed great improvement but incomplete refinement</p> 3680 the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 3681 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3682 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>microstrain</span></b></span> 3683 box and do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3684 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3685 minor-latin;mso-bidi-theme-font:minor-latin'>Edit Phase/Copy flags</span></b> 3686 for all the data sets. Then do another <b style='mso-bidi-font-weight:normal'><span 3687 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3688 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Sequential 3689 refine</span></b>. My Sequential refinement results showed great improvement 3690 but incomplete refinement</p> 3652 3691 3653 3692 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3658 3697 o:title=""/> 3659 3698 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3660 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 26.png"3699 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image197.png" 3661 3700 v:shapes="Picture_x0020_97"><![endif]></span></p> 3662 3701 … … 3671 3710 o:title=""/> 3672 3711 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3673 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 28.png"3712 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image198.png" 3674 3713 v:shapes="Picture_x0020_98"><![endif]></span></p> 3675 3714 3676 3715 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Examination of 3677 3716 the PWDR data sets showed a fairly good fit but some discrepancies (especially 3678 for Azm=20.00)</p>3717 for <span class=SpellE>Azm</span>=20.00)</p> 3679 3718 3680 3719 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3685 3724 o:title=""/> 3686 3725 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3687 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image1 30.png"3726 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image199.png" 3688 3727 v:shapes="Picture_x0020_99"><![endif]></span></p> 3689 3728 … … 3698 3737 Then do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3699 3738 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3700 minor-latin'>Edit Phase/Copy selected data</span></b> for <b style='mso-bidi-font-weight: 3701 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3702 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Pref.Ori.</span></b> 3739 minor-latin'>Edit Phase/Copy selected data</span></b> for <span class=SpellE><b 3740 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3741 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3742 minor-latin'>Pref.Ori</span></b></span><b style='mso-bidi-font-weight:normal'><span 3743 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3744 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>.</span></b> 3703 3745 to the other data sets. This (after few repeats) gives a further improvement in 3704 3746 the fit</p> … … 3711 3753 o:title=""/> 3712 3754 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3713 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 132.png"3755 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image200.png" 3714 3756 v:shapes="Picture_x0020_100"><![endif]></span></p> 3715 3757 … … 3723 3765 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>During the 3724 3766 sequential refinements done in Step 1, we fitted the profiles allowing strain 3725 parameters (Dij) for peak position shifts and microstrain for peak shape. We 3726 modeled the intensity variation with a spherical harmonics preferred 3767 parameters (<span class=SpellE>Dij</span>) for peak position shifts and <span 3768 class=SpellE>microstrain</span> for peak shape. We modeled the intensity 3769 variation with a <span class=GramE>spherical harmonics</span> preferred 3727 3770 orientation correction. If you select any PWDR entry from the GSAS-II data tree 3728 3771 and pick the Reflection List subentry (at the bottom) you can see the magnitude … … 3739 3782 o:title=""/> 3740 3783 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3741 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 134.png"3784 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image201.png" 3742 3785 v:shapes="Picture_x0020_101"><![endif]></span></p> 3743 3786 … … 3752 3795 o:title=""/> 3753 3796 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=204 3754 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 136.png"3797 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image202.png" 3755 3798 v:shapes="Picture_x0020_102"><![endif]></span></p> 3756 3799 3757 3800 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The preferred 3758 orientation correction is Prfo; notice a few entries in red. These are3759 nonphysical correction values (the correction cant be negative) but by in 3760 large these are small. This next step uses these corrections as input data for 3761 a texture refinement. To start select the Texture tab for the B2 phase; youll 3762 see</p>3801 orientation correction is <span class=SpellE>Prfo</span>; notice a few entries 3802 in red. These are nonphysical correction values (the correction cant be 3803 negative) but by in large these are small. This next step uses these 3804 corrections as input data for a texture refinement. To start select the Texture 3805 tab for the B2 phase; youll see</p> 3763 3806 3764 3807 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3787 3830 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3788 3831 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3789 minor-latin'>Show coeff</span></b> boxes. The data window will be redrawn (and3790 an orange blank plot will appear).</p>3832 minor-latin'>Show <span class=SpellE>coeff</span></span></b> boxes. The data 3833 window will be redrawn (and an orange blank plot will appear).</p> 3791 3834 3792 3835 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3797 3840 o:title=""/> 3798 3841 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=225 3799 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 139.png"3842 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image203.png" 3800 3843 v:shapes="Picture_x0020_103"><![endif]></span></p> 3801 3844 … … 3804 3847 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 3805 3848 minor-latin'>Texture/Refine texture</span></b> from the menu; the window will 3806 be repaintedand a bullseye pole figure will appear. </p>3849 be <span class=GramE>repainted</span> and a bullseye pole figure will appear. </p> 3807 3850 3808 3851 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 3813 3856 o:title=""/> 3814 3857 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=225 3815 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 141.png"3858 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image204.png" 3816 3859 v:shapes="Picture_x0020_104"><![endif]></span></p> 3817 3860 … … 3831 3874 o:title=""/> 3832 3875 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3833 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 143.png"3876 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image205.png" 3834 3877 v:shapes="Picture_x0020_105"><![endif]></span></p> 3835 3878 … … 3854 3897 o:title=""/> 3855 3898 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=324 3856 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 145.png"3899 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image206.png" 3857 3900 v:shapes="Picture_x0020_106"><![endif]></span></p> 3858 3901 … … 3867 3910 o:title=""/> 3868 3911 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 3869 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 147.png"3912 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image207.png" 3870 3913 v:shapes="Picture_x0020_107"><![endif]></span></p> 3871 3914 3872 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'> Again this is3873 very similar to what we found in Method A but again not quite as strong (max 3874 MRD ~10 instead of ~18) and a bit choppier.</p>3915 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span 3916 class=GramE>Again</span> this is very similar to what we found in Method A but 3917 again not quite as strong (max MRD ~10 instead of ~18) and a bit choppier.</p> 3875 3918 3876 3919 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now do a <b … … 3888 3931 3889 3932 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This uses the 3890 same approach as Method B except that after the sequential refinements are 3891 finished we then fix almost all the parameters and then do a final texture 3892 refinement with all the data. Thus, this is a replacement for Step 2 in Method 3893 B. To begin do <b style='mso-bidi-font-weight:normal'><span style='font-family: 3933 same approach as Method B except that after the sequential refinements are <span 3934 class=GramE>finished</span> we then fix almost all the parameters and then do a 3935 final texture refinement with all the data. Thus, this is a replacement for 3936 Step 2 in Method B. To begin do <b style='mso-bidi-font-weight:normal'><span 3937 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3938 mso-hansi-theme-font:minor-latin'>File/Open project 3939 </span></b> for the <span 3940 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family: 3894 3941 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3895 minor-latin'>File/Open project 3896 </span></b> for the <b style='mso-bidi-font-weight: 3942 minor-latin'>NiTi-B.gpx</span></b></span> file created in Method B and then do 3943 a <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3944 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save 3945 project as 3946 </span></b> to save it as <span class=SpellE><b style='mso-bidi-font-weight: 3897 3947 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3898 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi-B.gpx</span></b> file 3899 created in Method B and then do a <b style='mso-bidi-font-weight:normal'><span 3900 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3901 mso-hansi-theme-font:minor-latin'>File/Save project as 3902 </span></b> to save it 3903 as <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3904 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>NiTi-C</span></b>. 3948 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b 3949 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3950 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-C</span></b>. 3905 3951 This renames the project and it should have one IMG, 10 PWDR entries and two 3906 phases of NiTi(B2 and B19).</p>3952 phases of <span class=SpellE>NiTi</span> (B2 and B19).</p> 3907 3953 3908 3954 <h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left: … … 3921 3967 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3922 3968 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>: 3923 as the background was fit during the sequential refinement we should fix it3924 here. Select any <b style='mso-bidi-font-weight:normal'><span style='font-family: 3925 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3926 m inor-latin'>PWDR</span></b> entry and choose the <b style='mso-bidi-font-weight:3927 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3928 m inor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> subentry3929 for it. Clear the <b style='mso-bidi-font-weight:normal'><span3969 as the background was fit during the sequential <span class=GramE>refinement</span> 3970 we should fix it here. Select any <b style='mso-bidi-font-weight:normal'><span 3971 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3972 mso-hansi-theme-font:minor-latin'>PWDR</span></b> entry and choose the <b 3973 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3974 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> 3975 subentry for it. Clear the <b style='mso-bidi-font-weight:normal'><span 3930 3976 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3931 3977 mso-hansi-theme-font:minor-latin'>Refine</span></b> flags and the do <b … … 3941 3987 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3942 3988 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> 3943 phase: we do not want to refine either the microstrain, D<sub>11</sub>, or 3944 preferred orientation coefficients. Select the <b style='mso-bidi-font-weight: 3945 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3946 minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> phase and its <b 3947 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3948 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3949 tab. Clear the <b style='mso-bidi-font-weight:normal'><span style='font-family: 3989 phase: we do not want to refine either the <span class=SpellE>microstrain</span>, 3990 D<sub>11</sub>, or preferred orientation coefficients. Select the <b 3991 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3992 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> 3993 phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family: 3950 3994 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3951 minor-latin'>microstrain</span></b>, <b style='mso-bidi-font-weight:normal'><span 3952 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3953 mso-hansi-theme-font:minor-latin'>D<sub>11</sub></span></b> and <b 3954 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3995 minor-latin'>Data</span></b> tab. Clear the <span class=SpellE><b 3996 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3997 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>, 3998 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3999 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>D<sub>11</sub></span></b> 4000 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3955 4001 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 3956 4002 orientation</span></b> boxes. Also set the <b style='mso-bidi-font-weight:normal'><span … … 3963 4009 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3964 4010 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3965 Phase/Copy selected data</span></b> for < b style='mso-bidi-font-weight:normal'><span3966 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3967 m so-hansi-theme-font:minor-latin'>Pref.Ori</span></b> to copy the zeroed out3968 harmonic coefficients.</p>4011 Phase/Copy selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight: 4012 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4013 minor-latin;mso-hansi-theme-font:minor-latin'>Pref.Ori</span></b></span> to 4014 copy the zeroed out harmonic coefficients.</p> 3969 4015 3970 4016 <p class=MsoListParagraphCxSpLast style='margin-bottom:12.0pt;mso-add-space: … … 3974 4020 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3975 4021 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b>: 3976 we do not want to refine either the microstrain, Dij, or preferred orientation 3977 coefficients. Select the <b style='mso-bidi-font-weight:normal'><span 3978 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3979 mso-hansi-theme-font:minor-latin'>B19</span></b> phase and its <b 3980 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3981 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Data</span></b> 3982 tab. Clear the <b style='mso-bidi-font-weight:normal'><span style='font-family: 4022 we do not want to refine either the <span class=SpellE>microstrain</span>, <span 4023 class=SpellE>Dij</span>, or preferred orientation coefficients. Select the <b 4024 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4025 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B19</span></b> 4026 phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family: 3983 4027 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 3984 minor-latin'>microstrain</span></b>, four <b style='mso-bidi-font-weight:normal'><span 3985 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3986 mso-hansi-theme-font:minor-latin'>Dij</span></b> and <b style='mso-bidi-font-weight: 3987 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 3988 minor-latin;mso-hansi-theme-font:minor-latin'>Preferred orientation</span></b> 3989 boxes. Also set the <b style='mso-bidi-font-weight:normal'><span 4028 minor-latin'>Data</span></b> tab. Clear the <span class=SpellE><b 4029 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4030 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>microstrain</span></b></span>, 4031 four <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 4032 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4033 mso-hansi-theme-font:minor-latin'>Dij</span></b></span> and <b 4034 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 4035 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Preferred 4036 orientation</span></b> boxes. Also set the <b style='mso-bidi-font-weight:normal'><span 3990 4037 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 3991 4038 mso-hansi-theme-font:minor-latin'>Harmonic order</span></b> to zero (this will … … 3995 4042 Phase/Copy flags</span></b> selecting all data to clear all the flags and an <b 3996 4043 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 3997 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 3998 Phase/Copy selected data</span></b> for <b style='mso-bidi-font-weight:normal'><span 3999 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 4000 m so-hansi-theme-font:minor-latin'>Pref.Ori</span></b> to copy the zeroed out4001 harmonic coefficients.</p>4044 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit Phase/Copy 4045 selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight: 4046 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 4047 minor-latin;mso-hansi-theme-font:minor-latin'>Pref.Ori</span></b></span> to 4048 copy the zeroed out harmonic coefficients.</p> 4002 4049 4003 4050 <p class=MsoNormal style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt; … … 4023 4070 o:title=""/> 4024 4071 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4025 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 149.png"4072 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image208.png" 4026 4073 v:shapes="Picture_x0020_108"><![endif]></span></p> 4027 4074 … … 4046 4093 o:title=""/> 4047 4094 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4048 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 151.png"4095 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image209.png" 4049 4096 v:shapes="Picture_x0020_109"><![endif]></span></p> 4050 4097 … … 4114 4161 o:title=""/> 4115 4162 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 4116 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 154.png"4163 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image210.png" 4117 4164 v:shapes="Picture_x0020_111"><![endif]></span></p> 4118 4165 4119 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>which is 4120 almost identical to that from Method A. The coefficients are seen in</p> 4166 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>which is almost 4167 identical to that from Method <span class=GramE>A.</span> The coefficients are 4168 seen in</p> 4121 4169 4122 4170 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 4127 4175 o:title=""/> 4128 4176 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=236 4129 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 156.png"4177 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image211.png" 4130 4178 v:shapes="Picture_x0020_112"><![endif]></span></p> 4131 4179 … … 4144 4192 o:title=""/> 4145 4193 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=535 4146 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 158.png"4194 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image212.png" 4147 4195 v:shapes="Picture_x0020_113"><![endif]></span></p> 4148 4196 4149 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and also 4150 almost identical to what was obtained in Method A; the coefficients are seen in</p> 4197 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and <span 4198 class=GramE>also</span> almost identical to what was obtained in Method A; the 4199 coefficients are seen in</p> 4151 4200 4152 4201 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span … … 4157 4206 o:title=""/> 4158 4207 </v:shape><![endif]--><![if !vml]><img border=0 width=624 height=323 4159 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image 160.png"4208 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image213.png" 4160 4209 v:shapes="Picture_x0020_114"><![endif]></span></p> 4161 4210 -
Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II_files/filelist.xml
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