Changeset 4961 for Tutorials


Ignore:
Timestamp:
Jun 17, 2021 11:46:44 AM (3 months ago)
Author:
vondreele
Message:

update this tutorial

Location:
Tutorials/2DTexture
Files:
30 added
39 edited

Legend:

Unmodified
Added
Removed
  • Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II.htm

    r4949 r4961  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
    27   <o:Revision>6</o:Revision>
    28   <o:TotalTime>2779</o:TotalTime>
     27  <o:Revision>8</o:Revision>
     28  <o:TotalTime>2953</o:TotalTime>
    2929  <o:Created>2021-06-08T17:35:00Z</o:Created>
    30   <o:LastSaved>2021-06-09T22:13:00Z</o:LastSaved>
    31   <o:Pages>40</o:Pages>
    32   <o:Words>4431</o:Words>
    33   <o:Characters>25257</o:Characters>
     30  <o:LastSaved>2021-06-17T16:44:00Z</o:LastSaved>
     31  <o:Pages>1</o:Pages>
     32  <o:Words>4709</o:Words>
     33  <o:Characters>26844</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>210</o:Lines>
    36   <o:Paragraphs>59</o:Paragraphs>
    37   <o:CharactersWithSpaces>29629</o:CharactersWithSpaces>
     35  <o:Lines>223</o:Lines>
     36  <o:Paragraphs>62</o:Paragraphs>
     37  <o:CharactersWithSpaces>31491</o:CharactersWithSpaces>
    3838  <o:Version>16.00</o:Version>
    3939 </o:DocumentProperties>
     
    4949 <w:WordDocument>
    5050  <w:View>Print</w:View>
     51  <w:Zoom>188</w:Zoom>
    5152  <w:SpellingState>Clean</w:SpellingState>
    5253  <w:GrammarState>Clean</w:GrammarState>
     
    727728        font-weight:bold;}
    728729h2
    729         {mso-style-noshow:yes;
    730         mso-style-priority:9;
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    731731        mso-style-qformat:yes;
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    11061106span.Heading2Char
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    16361635src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image010.png"
    16371636v:shapes="_x0000_i1025"><![endif]></span><![endif]>coefficients is sufficient
    1638 to describe the effect on the diffraction patterns due to texture. The crystal
     1637to describe the effect on the diffraction pattern due to texture. The crystal
    16391638harmonic factor, <!--[if gte msEquation 12]><m:oMath><m:sSubSup><m:sSubSupPr><span
    16401639   style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     
    16861685form of the sample. For example, in the case of a rolled steel plate having mmm
    16871686symmetry, 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>
     1687frequently measured from the normal direction (ND, parallel to K<sub>s</sub>)
     1688and <span style='font-family:Symbol'>g</span> is then measured from the rolling
     1689direction (RD, parallel to I<sub>s</sub>) in the TD (transverse direction,
     1690parallel to J<sub>s</sub>) - RD plane.<span style='mso-spacerun:yes'> 
     1691</span>Thus, the general axis equation becomes</p>
    16921692
    16931693<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    17501750"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    17511751mso-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'>
     1752 id="_x0000_i1025" type="#_x0000_t75" style='width:321pt;height:54pt'>
    17531753 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image013.png"
    17541754  o:title="" chromakey="white"/>
     
    17941794J.<span style='mso-spacerun:yes'>  </span>The zeros of these three sample
    17951795rotation 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
     1796any angular offset in sample mounting. For the specific case of cylindrical
     1797sample symmetry, the cylinder axis is coincident with K<sub>s</sub> as is the
     17982-fold in 2/m sample symmetry. After including the diffraction angle, <span
    17971799style='font-family:Symbol'>Q</span>, and a detector azimuthal angle, A, the
    17981800full rotation matrix, <b style='mso-bidi-font-weight:normal'>M</b>, is </p>
     
    22402242"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
    22412243mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
    2242  id="_x0000_i1025" type="#_x0000_t75" style='width:423.7pt;height:55.5pt'>
     2244 id="_x0000_i1025" type="#_x0000_t75" style='width:423.75pt;height:55.5pt'>
    22432245 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image033.png"
    22442246  o:title="" chromakey="white"/>
     
    24792481</v:shape><![endif]--><![if !vml]><img width=29 height=35
    24802482src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image048.png"
    2481 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample orientation
    2482 angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span
     2483v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample
     2484orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span
    24832485style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>,
    24842486all of which can be adjustable parameters of the refinement. Once the
     
    25692571to accommodate the two possible uses of this correction. In one, a suite of
    25702572spherical harmonics coefficients is defined for the texture of a phase in the
    2571 sample; this can have any of the possible sample symmetries and is the usual result
    2572 desired for texture analysis. The other is the suite of spherical harmonics
    2573 terms for cylindrical sample symmetry for each phase in each powder pattern
    2574 (“histogram”) and is usually used to accommodate preferred orientation effects
    2575 in a Rietveld refinement. The former description allows refinement of the
    2576 sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>,
     2573sample; this can have any of the possible sample symmetries and is the usual
     2574result desired for texture analysis. The other is the suite of spherical
     2575harmonics terms for cylindrical sample symmetry for each phase in each powder
     2576pattern (“histogram”) and is usually used to accommodate preferred orientation
     2577effects in a Rietveld refinement. The former description allows refinement of
     2578the sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>,
    25772579<span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
    2578 Symbol'>F</span><sub>s</sub>, but the latter description does not (they are assumed
    2579 to be zero and not refinable). The sample orientation angles, (<span
     2580Symbol'>F</span><sub>s</sub>, but the latter description does not (they are
     2581assumed to be zero and not refinable). The sample orientation angles, (<span
    25802582style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,
    25812583<span style='font-family:Symbol'>F) </span>are specified in the Sample
    25822584Parameters table in the GSAS-II data tree structure and are applied for either
    25832585description.</p>
     2586
     2587<p class=MsoNormal>Some useful examples:</p>
     2588
     2589<p class=MsoNormal>1) Bragg-Brentano laboratory powder diffractometer</p>
     2590
     2591<p class=MsoNormal>The conventional arrangement of this experiment is to have a
     2592flat sample with incident and diffracted beams at equal angles (theta) on
     2593opposite sides of the sample. The sample is frequently spun about its normal to
     2594improve powder statistics and impose cylindrical symmetry on any preferred
     2595orientation (texture). Thus, the diffraction plane (source, diffraction vector
     2596&amp; detector) contains the K-vector which is parallel to the diffraction
     2597vector and <a name="_Hlk74813217"><span style='font-family:Symbol'>W</span>, </a><span
     2598style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>C</span>, </span><span
     2599style='mso-bookmark:_Hlk74813217'><span style='font-family:Symbol'>F = 0.</span></span><span
     2600style='font-family:Symbol'><o:p></o:p></span></p>
     2601
     2602<p class=MsoNormal><span style='font-family:Symbol'>2) </span>Debye-Scherrer
     2603diffractometer with point detector(s)</p>
     2604
     2605<p class=MsoNormal>The usual arrangement here is to have a capillary sample
     2606perpendicular to the diffraction plane. The capillary may be spun about its
     2607cylinder axis for powder averaging and to impose cylindrical symmetry on the
     2608texture which is perpendicular to the diffraction plane. Thus, <span
     2609style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>F = 0</span>
     2610and <span style='font-family:Symbol'>C =90.</span></p>
     2611
     2612<p class=MsoNormal>3) Debye-Scherrer diffractometer with 2D area detector</p>
     2613
     2614<p class=MsoNormal>The area detector is presumed to be directly behind the
     2615sample with the incident beam somewhere near the center of the detector. The
     2616detector axes are defined (for a synchrotron) with the X-axis toward the
     2617synchrotron ring and the Y-axis vertical “up”; one views the detector image as
     2618if looking from the x-ray source. The sample is assumed to be a capillary
     2619(which may be spun to impose cylindrical symmetry), although other sample
     2620shapes may be used, and is aligned with the cylinder axis horizontal. Integration
     2621of the image from a series of “caked” slices gives a set of powder patterns,
     2622each assigned an azimuthal angle where zero is along the X-axis. Thus, this
     2623diffraction plane is horizontal and contains the cylinder axis so <span
     2624style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,
     2625<span style='font-family:Symbol'>F = 0.</span></p>
     2626
     2627<p class=MsoNormal><o:p>&nbsp;</o:p></p>
    25842628
    25852629<p class=gsastext style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;
     
    25892633(wire texture) as collected at APS on beam line 1ID-C (data kindly provided by
    25902634Paul Paradise &amp; 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 &amp; integration. </p>
     2635Mines) with the sample mounted so the cylinder axis was vertical. Thus, there
     2636are three ways within GSAS-II that can be used for this texture analysis all
     2637beginning with the same 2D area detector image. Each will be described in turn
     2638after the initial setup of the GSAS-II project, image input &amp; integration. </p>
    25952639
    25962640<h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left:
     
    26292673
    26302674<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
    2631 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_59"
    2632  o:spid="_x0000_i1081" type="#_x0000_t75" alt="GSAS-II plots: &lt;unnamed project&gt;"
    2633  style='width:359.25pt;height:338.25pt;visibility:visible;mso-wrap-style:square'>
     2675style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="_x0000_i1081" type="#_x0000_t75"
     2676 alt="GSAS-II plots: &lt;unnamed project&gt;" style='width:359.25pt;height:338.25pt;
     2677 visibility:visible;mso-wrap-style:square'>
    26342678 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image051.png"
    26352679  o:title=" &lt;unnamed project&gt;"/>
    26362680</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=451
    26372681src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image052.png"
    2638 alt="GSAS-II plots: &lt;unnamed project&gt;" v:shapes="Picture_x0020_59"><![endif]></span></p>
     2682alt="GSAS-II plots: &lt;unnamed project&gt;" v:shapes="_x0000_i1081"><![endif]></span></p>
    26392683
    26402684<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and the <b
     
    26542698
    26552699<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The detector
    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:
     2700was previously calibrated, and the coefficients are stored in a file found by
     2701doing <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     2702style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2703mso-hansi-theme-font:minor-latin'>Parms</span></b></span><b style='mso-bidi-font-weight:
    26582704normal'><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
    2662 Controls</span></b> from the <b style='mso-bidi-font-weight:normal'><span
    2663 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2664 mso-hansi-theme-font:minor-latin'>Image Controls</span></b> menu. A file
    2665 selection popup will appear showing <b style='mso-bidi-font-weight:normal'><span
    2666 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2667 mso-hansi-theme-font:minor-latin'>NDC5.imctrl</span></b>; select it and press <b
    2668 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    2669 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Open</span></b>.
    2670 The <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2705minor-latin;mso-hansi-theme-font:minor-latin'>/Load Controls</span></b> from
     2706the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    26712707mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Image
    2672 Controls</span></b> window will be repainted with the new values and the image
    2673 will be redrawn.</p>
     2708Controls</span></b> menu. A file selection popup will appear showing <b
     2709style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2710mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>NDC5.imctrl</span></b>;
     2711select it and press <b style='mso-bidi-font-weight:normal'><span
     2712style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2713mso-hansi-theme-font:minor-latin'>Open</span></b>. The <b style='mso-bidi-font-weight:
     2714normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2715minor-latin;mso-hansi-theme-font:minor-latin'>Image Controls</span></b> window
     2716will be repainted with the new values and the image will be redrawn.</p>
    26742717
    26752718<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    27152758"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    27162759minor-latin'>mm</span></b> symmetry so that the unique part of this intensity
    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:
     2760variation covers 0-90° of azimuth. In addition, the ring intensity variation is
     2761such that using 10° slices will capture it reasonably well. However, we want to
     2762include both 0° and 90° as slice centers. Thus, there will be 10 slices
     2763beginning at -5° and ending at 95°. Check the <b style='mso-bidi-font-weight:
     2764normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2765minor-latin;mso-hansi-theme-font:minor-latin'>Show integration limits?</span></b>
     2766box and uncheck the <b style='mso-bidi-font-weight:normal'><span
     2767style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2768mso-hansi-theme-font:minor-latin'>Do full integration? </span></b>box, enter <b
     2769style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2770mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>10</span></b>
     2771in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     2772mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>No. azimuth
     2773bins</span></b>, enter <b style='mso-bidi-font-weight:normal'><span
     2774style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2775mso-hansi-theme-font:minor-latin'>-5</span></b> in the <b style='mso-bidi-font-weight:
     2776normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2777minor-latin;mso-hansi-theme-font:minor-latin'>Start azimuth</span></b> box (it
     2778will change to 355) and enter <b style='mso-bidi-font-weight:normal'><span
     2779style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     2780mso-hansi-theme-font:minor-latin'>455</span></b> in the <b style='mso-bidi-font-weight:
     2781normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     2782minor-latin;mso-hansi-theme-font:minor-latin'>End azimuth</span></b> box. In
     2783addition, recall that the sample was mounted vertically and thus is aligned
     2784with the defined laboratory I axis. Thus, the sample coordinate system needs to
     2785be rotated by 90° to match the sample axis with the K axis; this can be done by
     2786making the <b style='mso-bidi-font-weight:normal'><span style='font-family:
    27222787"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:
     2788minor-latin'>Sample goniometer axis Chi</span></b> = <b style='mso-bidi-font-weight:
    27292789normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    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>
    2733 in the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    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:
    2736 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    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>
     2790minor-latin;mso-hansi-theme-font:minor-latin'>90</span></b>. The plot will
     2791change with each entry and at the end should look like</p>
    27492792
    27502793<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    27952838threshold</span></b> to <b style='mso-bidi-font-weight:normal'><span
    27962839style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2797 mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn reflecting
    2798 this mask. By zooming in you may see isolated red pixels; these are excluded
    2799 points. Make sure the diffraction rings do not have any excluded points. For
    2800 example, with the level set to 2200 the plot shows</p>
    2801 
    2802 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
    2803 style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_67"
    2804  o:spid="_x0000_i1074" type="#_x0000_t75" alt="GSAS-II plots: &lt;unnamed project&gt;"
    2805  style='width:357.75pt;height:336.75pt;visibility:visible;mso-wrap-style:square'>
     2840mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn
     2841reflecting this mask. By zooming in you may see isolated red pixels; these are
     2842excluded points. Make sure the diffraction rings do not have any excluded
     2843points. For example, with the level set to 2200 the plot shows</p>
     2844
     2845<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     2846style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_59"
     2847 o:spid="_x0000_i1074" type="#_x0000_t75" alt="GSAS-II plots: NiTi.gpx"
     2848 style='width:358.5pt;height:329.25pt;visibility:visible;mso-wrap-style:square'>
    28062849 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image065.png"
    2807   o:title=" &lt;unnamed project&gt;"/>
    2808 </v:shape><![endif]--><![if !vml]><img border=0 width=477 height=449
     2850  o:title=" NiTi"/>
     2851</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=439
    28092852src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image066.png"
    2810 alt="GSAS-II plots: &lt;unnamed project&gt;" v:shapes="Picture_x0020_67"><![endif]></span></p>
     2853alt="GSAS-II plots: NiTi.gpx" v:shapes="Picture_x0020_59"><![endif]></span></p>
    28112854
    28122855<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>for one ring.
     
    29893032histogram has a set of parameters (e.g. phase fraction, size, mustrain &amp;
    29903033hydrostatic strain) in addition to the ones for each histogram (e.g. background
    2991 &amp; scale factor). <span class=GramE>Consequently</span> the total number of
    2992 parameters can build up very quickly in this method of analysis. The other two
    2993 methods seek to reduce this problem by splitting the fitting into a sequential
    2994 refinement (histogram by histogram) step followed by a texture fitting step.</p>
     3034&amp; scale factor). Consequently, the total number of parameters can build up
     3035very quickly in this method of analysis. The other two methods seek to reduce
     3036this problem by splitting the fitting into a sequential refinement (histogram
     3037by histogram) step followed by a texture fitting step.</p>
    29953038
    29963039<h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left:
     
    30073050that Goniometer chi is set to 90; that came from the same entry in the Image
    30083051Controls during integration. Also, if you chose other than the 1<sup>st</sup>
    3009 PWDR data set the Detector azimuth will be some nonzero value; that is also
     3052PWDR data set, the Detector azimuth will be some nonzero value; that is also
    30103053reflected in the name assigned to the histogram (e.g. <b style='mso-bidi-font-weight:
    30113054normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     
    32473290
    32483291<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It is evident
    3249 that there <span class=GramE>remains</span> intensity differences due to
    3250 texture. We can increase the harmonic order to more closely fit these, however
    3251 one should only do this carefully. Select the Texture tab for the B2 phase; the
    3252 Texture tab will show</p>
     3292that there remain intensity differences due to texture. We can increase the
     3293harmonic order to more closely fit these, however one should do this carefully.
     3294Select the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3295minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Texture</span></b>
     3296tab for the B2 phase; the Texture tab will show</p>
    32533297
    32543298<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    32653309of the <span class=GramE>001 pole</span> figure will be drawn. This is the very
    32663310typical “<span class=GramE>bulls</span> eye” for cylindrical texture; of much
    3267 more use is an inverse pole figure. Select that from the Texture plot type; the
    3268 plot will be redrawn</p>
     3311more use is an inverse pole figure. Select that from the <b><span
     3312style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3313mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Texture plot
     3314type</span></b>; the plot will be redrawn</p>
    32693315
    32703316<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    32793325
    32803326<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This shows the
    3281 probability of reflection vectors coinciding with the sample wire axis the high
    3282 spots are the 111 family of reflections. We should try the next higher Harmonic
     3327probability of reflection vectors coinciding with the sample wire axis; the
     3328high spots are the 111 family of reflections. We should try the next higher harmonic
    32833329order (10). </p>
    32843330
    32853331<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Next go to the
    3286 Texture tab for the B19’ phase. Again, a bullseye pole figure is drawn; change
    3287 that to an Inverse pole figure.</p>
     3332<b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3333mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Texture</span></b>
     3334tab for the B19’ phase. Again, a bullseye pole figure is drawn; change that to
     3335an Inverse pole figure.</p>
    32883336
    32893337<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    33003348very strongly textured (the cursor shows 12-13 MRD at the peaks) along the -140
    33013349direction. Again, we want to increment the Harmonic order to the next higher
    3302 level (8). Again, do Calculate/Refine from the main menu; the <span
     3350level (8). Again, do <b><span style='font-family:"Calibri",sans-serif;
     3351mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3352minor-latin'>Calculate/Refine</span></b> from the main menu; the <span
    33033353class=SpellE>Rwp</span> has dropped to ~10.4%. One can add the atom <span
    33043354class=SpellE>Uiso</span> for the Ni and <span class=SpellE>Ti</span> atoms in
     
    33183368 o:spid="_x0000_i1056" type="#_x0000_t75" alt="GSAS-II project: NiTi-A.gpx"
    33193369 style='width:5in;height:199.5pt;visibility:visible;mso-wrap-style:square'>
    3320  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image102.png"
     3370 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image101.png"
    33213371  o:title=" NiTi-A"/>
    33223372</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=266
    3323 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image104.png"
     3373src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image102.png"
    33243374alt="GSAS-II project: NiTi-A.gpx" v:shapes="Picture_x0020_90"><![endif]></span></p>
    33253375
     
    33313381 o:spid="_x0000_i1055" type="#_x0000_t75" alt="GSAS-II plots: NiTi-A.gpx"
    33323382 style='width:5in;height:339pt;visibility:visible;mso-wrap-style:square'>
    3333  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image106.png"
     3383 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image103.png"
    33343384  o:title=" NiTi-A"/>
    33353385</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=452
    3336 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image108.png"
     3386src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image104.png"
    33373387alt="GSAS-II plots: NiTi-A.gpx" v:shapes="Picture_x0020_91"><![endif]></span></p>
    33383388
     
    33443394 o:spid="_x0000_i1054" type="#_x0000_t75" alt="GSAS-II project: NiTi-A.gpx"
    33453395 style='width:5in;height:142.5pt;visibility:visible;mso-wrap-style:square'>
    3346  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image110.png"
     3396 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image105.png"
    33473397  o:title=" NiTi-A"/>
    33483398</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=190
    3349 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image112.png"
     3399src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image106.png"
    33503400alt="GSAS-II project: NiTi-A.gpx" v:shapes="Picture_x0020_92"><![endif]></span></p>
    33513401
     
    33573407 o:spid="_x0000_i1053" type="#_x0000_t75" alt="GSAS-II plots: NiTi-A.gpx"
    33583408 style='width:358.5pt;height:337.5pt;visibility:visible;mso-wrap-style:square'>
    3359  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image114.png"
     3409 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image107.png"
    33603410  o:title=" NiTi-A"/>
    33613411</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=450
    3362 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image116.png"
     3412src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image108.png"
    33633413alt="GSAS-II plots: NiTi-A.gpx" v:shapes="Picture_x0020_93"><![endif]></span></p>
    33643414
    33653415<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This completes
    3366 the tutorial on Method A for doing texture analysis. It is useful for a case like
    3367 this one where there are very few data sets required for the texture analysis.
    3368 However, for the case of lower sample symmetry one must several dozen or even a
    3369 few hundred histograms and then the suite of parameters can easily be &gt; 1000
    3370 of which only a few dozen describe the texture. This leads to the next Methods
    3371 for texture analysis in GSAS-II.</p>
     3416the tutorial on Method A for doing texture analysis. It is useful for a case
     3417like this one where there are very few data sets required for the texture
     3418analysis. However, for the case of lower sample symmetry one must several dozen
     3419or even a few hundred histograms and then the suite of parameters can easily be
     3420&gt; 1000 of which only a few dozen describe the texture. This leads to the
     3421next Methods for texture analysis in GSAS-II.</p>
    33723422
    33733423<h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left:
     
    33793429
    33803430<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins
    3381 the texture analysis in much the same way as Method A except that all the
    3382 initial refinements are done “sequentially”, that is refinements are done for
    3383 the parameters associated with each powder pattern to convergence in a serial
     3431the texture analysis in much the same way as Method A except that all the initial
     3432refinements are done “sequentially”, that is refinements are done for the
     3433parameters associated with each powder pattern to convergence in a serial
    33843434fashion. In this case where there are 10 PWDR data sets, there will be 10
    33853435refinements done in sequence. Parameters that span all the data (e.g. lattice
     
    34753525 o:spid="_x0000_i1052" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx"
    34763526 style='width:360.75pt;height:183pt;visibility:visible;mso-wrap-style:square'>
    3477  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image118.png"
     3527 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image109.png"
    34783528  o:title=" NiTi-B"/>
    34793529</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=244
    3480 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image120.png"
     3530src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image110.png"
    34813531alt="GSAS-II project: NiTi-B.gpx" v:shapes="Picture_x0020_94"><![endif]></span></p>
    34823532
     
    35013551 o:spid="_x0000_i1051" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    35023552 style='width:360.75pt;height:183pt;visibility:visible;mso-wrap-style:square'>
    3503  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image122.png"
     3553 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image111.png"
    35043554  o:title=" NiTi-B"/>
    35053555</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=244
    3506 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image124.png"
     3556src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image112.png"
    35073557alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_95"><![endif]></span></p>
    35083558
     
    35313581 o:spid="_x0000_i1050" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    35323582 style='width:357.75pt;height:108.75pt;visibility:visible;mso-wrap-style:square'>
    3533  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image126.png"
     3583 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image113.png"
    35343584  o:title=" NiTi-B"/>
    35353585</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=145
    3536 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image128.png"
     3586src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image114.png"
    35373587alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_96"><![endif]></span></p>
    35383588
    35393589<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>There is a row
    3540 for each data set and columns for all refined parameters and some derived ones along
    3541 with residual and convergence indicators. The residuals are not very good (we
    3542 haven’t really refined much) but the &#916;&#967;<sup>2</sup> column shows that
    3543 convergence was achieved (NB: poor convergence will be highlighted in yellow or
    3544 red depending on how bad it is).</p>
     3590for each data set and columns for all refined parameters and some derived ones
     3591along with residual and convergence indicators. The residuals are not very good
     3592(we haven’t really refined much) but the &#916;&#967;<sup>2</sup> column shows
     3593that convergence was achieved (NB: poor convergence will be highlighted in
     3594yellow or red depending on how bad it is).</p>
    35453595
    35463596<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>If you examine
    3547 one of the PWDR entries, you’ll see that just in this point in Method A much of
    3548 the misfit is texture and perhaps peak position.</p>
     3597one of the PWDR entries, you’ll see that as at the same point in Method A much
     3598of the misfit is texture and perhaps peak position.</p>
    35493599
    35503600<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    35523602 o:spid="_x0000_i1049" type="#_x0000_t75" alt="GSAS-II plots: NiTi-B.gpx"
    35533603 style='width:357.75pt;height:336.75pt;visibility:visible;mso-wrap-style:square'>
    3554  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image130.png"
     3604 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image115.png"
    35553605  o:title=" NiTi-B"/>
    35563606</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=449
    3557 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image132.png"
     3607src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image116.png"
    35583608alt="GSAS-II plots: NiTi-B.gpx" v:shapes="Picture_x0020_97"><![endif]></span></p>
    35593609
     
    35653615 o:spid="_x0000_i1048" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    35663616 style='width:357.75pt;height:300pt;visibility:visible;mso-wrap-style:square'>
    3567  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image133.png"
     3617 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image117.png"
    35683618  o:title=" NiTi-B"/>
    35693619</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=400
    3570 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image135.png"
     3620src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image118.png"
    35713621alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_98"><![endif]></span></p>
    35723622
     
    35793629minor-latin'>Harmonic order</span></b> to <b style='mso-bidi-font-weight:normal'><span
    35803630style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3581 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
    3582 and check the <b style='mso-bidi-font-weight:normal'><span style='font-family:
     3631mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> and
     3632check the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3633mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3634minor-latin'>Refine</span></b> box for it (Preferred orientation). Then in two
     3635steps, first do <b style='mso-bidi-font-weight:normal'><span style='font-family:
    35833636"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    3584 minor-latin;mso-bidi-theme-font:minor-latin'>Refine</span></b> box for it
    3585 (Preferred orientation). Then in two steps, do <b style='mso-bidi-font-weight:
    3586 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    3587 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
    3588 Phase/Copy flags</span></b> and <b style='mso-bidi-font-weight:normal'><span
    3589 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3590 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>
    3591 for the file selection. Then do <b style='mso-bidi-font-weight:normal'><span
    3592 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3593 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
    3594 Phase/Copy selected data</span></b>; that will bring up a new popup</p>
     3637minor-latin;mso-bidi-theme-font:minor-latin'>Edit Phase/Copy flags</span></b>
     3638and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3639mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3640minor-latin'>Set All</span></b> for the file selection. Then do <b
     3641style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3642mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3643minor-latin'>Edit Phase/Copy selected data</span></b>; that will bring up a new
     3644popup</p>
    35953645
    35963646<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    35983648 o:spid="_x0000_i1047" type="#_x0000_t75" alt="Select phase data parameters"
    35993649 style='width:241.5pt;height:316.5pt;visibility:visible;mso-wrap-style:square'>
    3600  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image137.png"
     3650 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image119.png"
    36013651  o:title="Select phase data parameters"/>
    36023652</v:shape><![endif]--><![if !vml]><img border=0 width=322 height=422
    3603 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image137.png"
     3653src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image119.png"
    36043654alt="Select phase data parameters" v:shapes="Picture_x0020_99"><![endif]></span></p>
    36053655
     
    36083658style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    36093659mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    3610 minor-latin'>Pref. Ori.</span></b> And press <b style='mso-bidi-font-weight:
     3660minor-latin'>Pref. Ori.</span></b> and press <b style='mso-bidi-font-weight:
    36113661normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    36123662minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>OK</span></b>;
     
    36363686 o:spid="_x0000_i1046" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    36373687 style='width:357.75pt;height:321pt;visibility:visible;mso-wrap-style:square'>
    3638  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image139.png"
     3688 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image120.png"
    36393689  o:title=" NiTi-B"/>
    36403690</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=428
    3641 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image141.png"
     3691src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image121.png"
    36423692alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_100"><![endif]></span></p>
    36433693
     
    36533703 o:spid="_x0000_i1045" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    36543704 style='width:357.75pt;height:87.75pt;visibility:visible;mso-wrap-style:square'>
    3655  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image143.png"
     3705 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image122.png"
    36563706  o:title=" NiTi-B"/>
    36573707</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=117
    3658 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image145.png"
     3708src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image123.png"
    36593709alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_101"><![endif]></span></p>
    36603710
    36613711<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>It is probably
    3662 best to do another round of sequential refinement (I had to do two) to get convergence.
    3663 A plot of one PWDR entry gives</p>
     3712best to do another round of sequential refinement (I had to do two) to get
     3713convergence. A plot of one PWDR entry gives</p>
    36643714
    36653715<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    36673717 o:spid="_x0000_i1044" type="#_x0000_t75" alt="GSAS-II plots: NiTi-B.gpx"
    36683718 style='width:358.5pt;height:337.5pt;visibility:visible;mso-wrap-style:square'>
    3669  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image147.png"
     3719 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image124.png"
    36703720  o:title=" NiTi-B"/>
    36713721</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=450
    3672 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image149.png"
     3722src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image125.png"
    36733723alt="GSAS-II plots: NiTi-B.gpx" v:shapes="Picture_x0020_102"><![endif]></span></p>
    36743724
    36753725<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>As our
    36763726experience in Method A, the calculated peaks are too sharp. We need to vary the
    3677 mustrain parameters for both phases. Go to the Data tab for each phase, check
    3678 the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     3727mustrain parameters for both phases. Go to the <b><span style='font-family:
     3728"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     3729minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b> tab for each
     3730phase, check the <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
    36793731style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    36803732mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>microstrain</span></b></span>
     
    36953747 o:spid="_x0000_i1043" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    36963748 style='width:5in;height:88.5pt;visibility:visible;mso-wrap-style:square'>
    3697  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image151.png"
     3749 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image126.png"
    36983750  o:title=" NiTi-B"/>
    36993751</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=118
    3700 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image153.png"
     3752src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image127.png"
    37013753alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_103"><![endif]></span></p>
    37023754
     
    37093761 o:spid="_x0000_i1042" type="#_x0000_t75" alt="GSAS-II plots: NiTi-B.gpx"
    37103762 style='width:358.5pt;height:337.5pt;visibility:visible;mso-wrap-style:square'>
    3711  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image155.png"
     3763 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image128.png"
    37123764  o:title=" NiTi-B"/>
    37133765</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=450
    3714 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image157.png"
     3766src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image129.png"
    37153767alt="GSAS-II plots: NiTi-B.gpx" v:shapes="Picture_x0020_104"><![endif]></span></p>
    37163768
    37173769<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Showing that
    3718 perhaps the B19’ phase needs high order spherical harmonics. Select the Data
     3770perhaps the B19’ phase needs high order spherical harmonics. Select the <b><span
     3771style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3772mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Data</span></b>
    37193773tab for the B19’ phase and change the <b style='mso-bidi-font-weight:normal'><span
    37203774style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     
    37383792 o:spid="_x0000_i1041" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    37393793 style='width:5in;height:88.5pt;visibility:visible;mso-wrap-style:square'>
    3740  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image159.png"
     3794 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image130.png"
    37413795  o:title=" NiTi-B"/>
    37423796</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=118
    3743 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image161.png"
     3797src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image131.png"
    37443798alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_105"><![endif]></span></p>
    37453799
     
    37553809parameters (<span class=SpellE>Dij</span>) for peak position shifts and <span
    37563810class=SpellE>microstrain</span> for peak shape. We modeled the intensity
    3757 variation with a <span class=GramE>spherical harmonics</span> preferred orientation
    3758 correction. If you select any PWDR entry from the GSAS-II data tree and pick
    3759 the Reflection List subentry (at the bottom) you can see the magnitude of this
     3811variation with a <span class=GramE>spherical harmonics</span> preferred
     3812orientation correction. If you select any PWDR entry from the GSAS-II data tree
     3813and pick the <b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3814minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Reflection
     3815List</span></b> subentry (at the bottom) you can see the magnitude of this
    37603816correction for each reflection in each phase.</p>
    37613817
     
    37673823 o:spid="_x0000_i1040" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    37683824 style='width:357.75pt;height:96pt;visibility:visible;mso-wrap-style:square'>
    3769  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image162.png"
     3825 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image132.png"
    37703826  o:title=" NiTi-B"/>
    37713827</v:shape><![endif]--><![if !vml]><img border=0 width=477 height=128
    3772 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image163.png"
     3828src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image133.png"
    37733829alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_106"><![endif]></span></p>
    37743830
     
    37803836 o:spid="_x0000_i1039" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    37813837 style='width:468pt;height:160.5pt;visibility:visible;mso-wrap-style:square'>
    3782  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image165.png"
     3838 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image134.png"
    37833839  o:title=" NiTi-B"/>
    37843840</v:shape><![endif]--><![if !vml]><img border=0 width=624 height=214
    3785 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image166.png"
     3841src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image135.png"
    37863842alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_107"><![endif]></span></p>
    37873843
    3788 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The preferred
    3789 orientation correction is <span class=SpellE>Prfo</span>; notice a few entries in
    3790 red. These are nonphysical correction values (the correction can’t be negative)
    3791 but by in large these are small. This next step uses these corrections as input
    3792 data for a texture refinement. To start select the Texture tab for the B2
    3793 phase; you’ll see</p>
     3844<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>The preferred orientation
     3845correction is <span class=SpellE>Prfo</span>; notice a few entries in red.
     3846These are nonphysical correction values (physically, the correction can’t be
     3847negative) but by in large these are small. This next step uses these
     3848corrections as input data for a texture refinement. To start select the <b><span
     3849style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3850mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Texture</span></b>
     3851tab for the B2 phase; you’ll see</p>
    37943852
    37953853<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    37973855 o:spid="_x0000_i1038" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    37983856 style='width:360.75pt;height:124.5pt;visibility:visible;mso-wrap-style:square'>
    3799  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image167.png"
     3857 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image136.png"
    38003858  o:title=" NiTi-B"/>
    38013859</v:shape><![endif]--><![if !vml]><img border=0 width=481 height=166
    3802 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image169.png"
     3860src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image137.png"
    38033861alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_108"><![endif]></span></p>
    38043862
     
    38253883 o:spid="_x0000_i1037" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    38263884 style='width:358.5pt;height:151.5pt;visibility:visible;mso-wrap-style:square'>
    3827  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image170.png"
     3885 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image138.png"
    38283886  o:title=" NiTi-B"/>
    38293887</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=202
    3830 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image171.png"
     3888src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image139.png"
    38313889alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_109"><![endif]></span></p>
    38323890
     
    38353893mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    38363894minor-latin'>Texture/Refine texture</span></b> from the menu; the window will
    3837 be <span class=GramE>repainted</span> and a bullseye pole figure will appear.
    3838 Change the <b style='mso-bidi-font-weight:normal'><span style='font-family:
    3839 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    3840 minor-latin;mso-bidi-theme-font:minor-latin'>Texture plot type</span></b> to <b
     3895be repainted, and a bullseye pole figure will appear. Change the <b
    38413896style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    38423897mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    3843 minor-latin'>Inverse pole figure</span></b> to get a more useful plot<span
    3844 style='mso-no-proof:yes'><o:p></o:p></span></p>
     3898minor-latin'>Texture plot type</span></b> to <b style='mso-bidi-font-weight:
     3899normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3900minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Inverse
     3901pole figure</span></b> to get a more useful plot<span style='mso-no-proof:yes'><o:p></o:p></span></p>
    38453902
    38463903<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    38483905 o:spid="_x0000_i1036" type="#_x0000_t75" alt="GSAS-II plots: NiTi-B.gpx"
    38493906 style='width:358.5pt;height:337.5pt;visibility:visible;mso-wrap-style:square'>
    3850  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image173.png"
     3907 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image140.png"
    38513908  o:title=" NiTi-B"/>
    38523909</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=450
    3853 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image174.png"
     3910src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image141.png"
    38543911alt="GSAS-II plots: NiTi-B.gpx" v:shapes="Picture_x0020_110"><![endif]></span></p>
    38553912
     
    38593916
    38603917<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Now select the
    3861 Texture tab for the B19’ phase and do the same; use <b style='mso-bidi-font-weight:
     3918<b><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3919mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Texture</span></b>
     3920tab for the B19’ phase and do the same; use <b style='mso-bidi-font-weight:
    38623921normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    38633922minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Harmonic
     
    38713930 o:spid="_x0000_i1035" type="#_x0000_t75" alt="GSAS-II project: NiTi-B.gpx (sequential refinement)"
    38723931 style='width:5in;height:192.75pt;visibility:visible;mso-wrap-style:square'>
    3873  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image175.png"
     3932 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image142.png"
    38743933  o:title=" NiTi-B"/>
    38753934</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=257
    3876 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image177.png"
     3935src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image143.png"
    38773936alt="GSAS-II project: NiTi-B.gpx (sequential refinement)" v:shapes="Picture_x0020_111"><![endif]></span></p>
    38783937
     
    38843943 o:spid="_x0000_i1034" type="#_x0000_t75" alt="GSAS-II plots: NiTi-B.gpx"
    38853944 style='width:358.5pt;height:337.5pt;visibility:visible;mso-wrap-style:square'>
    3886  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image179.png"
     3945 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image144.png"
    38873946  o:title=" NiTi-B"/>
    38883947</v:shape><![endif]--><![if !vml]><img border=0 width=478 height=450
    3889 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image180.png"
     3948src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image145.png"
    38903949alt="GSAS-II plots: NiTi-B.gpx" v:shapes="Picture_x0020_112"><![endif]></span></p>
    38913950
     
    39083967
    39093968<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This uses the
    3910 same approach as Method B except that after the sequential refinements are <span
    3911 class=GramE>finished</span> we then fix almost all the parameters and then do a
    3912 final texture refinement with all the data. Thus, this is a replacement for
    3913 Step 2 in Method B. To begin do <b style='mso-bidi-font-weight:normal'><span
    3914 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3915 mso-hansi-theme-font:minor-latin'>File/Open project
    3916 </span></b> for the <span
    3917 class=SpellE><b style='mso-bidi-font-weight:normal'><span style='font-family:
     3969same approach as Method B except that after the sequential refinements are
     3970finished, we then fix almost all the parameters and then do a final texture
     3971refinement with all the data. Thus, this is a replacement for Step 2 in Method
     3972B. To begin do <b style='mso-bidi-font-weight:normal'><span style='font-family:
    39183973"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    3919 minor-latin'>NiTi-B.gpx</span></b></span> file created in Method B and then do
    3920 a <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    3921 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>File/Save
    3922 project as
    3923 </span></b> to save it as <span class=SpellE><b style='mso-bidi-font-weight:
     3974minor-latin'>File/Open project
     3975</span></b> for the <span class=SpellE><b
     3976style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3977mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>NiTi-B.gpx</span></b></span>
     3978file created in Method B and then do a <b style='mso-bidi-font-weight:normal'><span
     3979style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3980mso-hansi-theme-font:minor-latin'>File/Save project as
     3981</span></b> to save it
     3982as <span class=SpellE><b style='mso-bidi-font-weight:normal'><span
     3983style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     3984mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b style='mso-bidi-font-weight:
    39243985normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    3925 minor-latin;mso-hansi-theme-font:minor-latin'>NiTi</span></b></span><b
    3926 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    3927 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>-C</span></b>.
    3928 This renames the project and it should have one IMG, 10 PWDR entries and two
    3929 phases of <span class=SpellE>NiTi</span> (B2 and B19’).</p>
     3986minor-latin;mso-hansi-theme-font:minor-latin'>-C</span></b>. This renames the
     3987project and it should have one IMG, 10 PWDR entries and two phases of <span
     3988class=SpellE>NiTi</span> (B2 and B19’).</p>
    39303989
    39313990<h3 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left:
     
    39444003style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    39454004mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>:
    3946 as the background was fit during the sequential <span class=GramE>refinement</span>
    3947 we should fix it here. Select any <b style='mso-bidi-font-weight:normal'><span
    3948 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3949 mso-hansi-theme-font:minor-latin'>PWDR</span></b> entry and choose the <b
    3950 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    3951 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b>
    3952 subentry for it. Clear the <b style='mso-bidi-font-weight:normal'><span
     4005as the background was fit during the sequential refinement, we should fix it
     4006here. Select any <b style='mso-bidi-font-weight:normal'><span style='font-family:
     4007"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     4008minor-latin'>PWDR</span></b> entry and choose the <b style='mso-bidi-font-weight:
     4009normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     4010minor-latin;mso-hansi-theme-font:minor-latin'>Background</span></b> subentry
     4011for it. Clear the <b style='mso-bidi-font-weight:normal'><span
    39534012style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    39544013mso-hansi-theme-font:minor-latin'>Refine</span></b> flags and the do <b
     
    40444103 id="Picture_x0020_113" o:spid="_x0000_i1033" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx (sequential refinement)"
    40454104 style='width:345pt;height:142.5pt;visibility:visible;mso-wrap-style:square'>
    4046  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image181.png"
     4105 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image146.png"
    40474106  o:title=" NiTi-C"/>
    40484107</v:shape><![endif]--><![if !vml]><img border=0 width=460 height=190
    4049 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image183.png"
     4108src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image147.png"
    40504109alt="GSAS-II project: NiTi-C.gpx (sequential refinement)" v:shapes="Picture_x0020_113"><![endif]></span></p>
    40514110
     
    40674126 id="Picture_x0020_114" o:spid="_x0000_i1032" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx (sequential refinement)"
    40684127 style='width:345.75pt;height:143.25pt;visibility:visible;mso-wrap-style:square'>
    4069  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image184.png"
     4128 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image148.png"
    40704129  o:title=" NiTi-C"/>
    40714130</v:shape><![endif]--><![if !vml]><img border=0 width=461 height=191
    4072 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image185.png"
     4131src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image149.png"
    40734132alt="GSAS-II project: NiTi-C.gpx (sequential refinement)" v:shapes="Picture_x0020_114"><![endif]></span></p>
    40744133
     
    40974156
    40984157<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>To clear the
    4099 sequential refinement set up, select Controls from the main data tree.</p>
     4158sequential refinement set up, select <b><span style='font-family:"Calibri",sans-serif;
     4159mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     4160minor-latin'>Controls</span></b> from the main data tree.</p>
    41004161
    41014162<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    41034164 o:spid="_x0000_i1031" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx (sequential refinement)"
    41044165 style='width:357pt;height:190.5pt;visibility:visible;mso-wrap-style:square'>
    4105  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image187.png"
     4166 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image150.png"
    41064167  o:title=" NiTi-C"/>
    41074168</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=254
    4108 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image188.png"
     4169src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image151.png"
    41094170alt="GSAS-II project: NiTi-C.gpx (sequential refinement)" v:shapes="Picture_x0020_115"><![endif]></span></p>
    41104171
    4111 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then do
    4112 Reselect datasets, a popup window will appear</p>
     4172<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Then do <b><span
     4173style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     4174mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Reselect
     4175datasets</span></b>, a popup window will appear</p>
    41134176
    41144177<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    41164179 o:spid="_x0000_i1030" type="#_x0000_t75" alt="Sequential refinement selection"
    41174180 style='width:263.25pt;height:316.5pt;visibility:visible;mso-wrap-style:square'>
    4118  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image189.png"
     4181 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image152.png"
    41194182  o:title="Sequential refinement selection"/>
    41204183</v:shape><![endif]--><![if !vml]><img border=0 width=351 height=422
    4121 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image189.png"
     4184src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image152.png"
    41224185alt="Sequential refinement selection" v:shapes="Picture_x0020_116"><![endif]></span></p>
    41234186
    4124 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do Toggle All
    4125 to clear the check marks and press OK. The Controls will no longer show how
    4126 many data sets are used in a sequential refinement.</p>
     4187<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>Do <b><span
     4188style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     4189mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Toggle All</span></b>
     4190to clear the check marks and press <b><span style='font-family:"Calibri",sans-serif;
     4191mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     4192minor-latin'>OK</span></b>. The Controls will no longer show how many data sets
     4193are used in a sequential refinement.</p>
    41274194
    41284195<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    41304197 o:spid="_x0000_i1029" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx"
    41314198 style='width:5in;height:186pt;visibility:visible;mso-wrap-style:square'>
    4132  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image191.png"
     4199 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image153.png"
    41334200  o:title=" NiTi-C"/>
    41344201</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=248
    4135 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image192.png"
     4202src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image154.png"
    41364203alt="GSAS-II project: NiTi-C.gpx" v:shapes="Picture_x0020_117"><![endif]></span></p>
    41374204
     
    41414208from the main menu; it will be a combined refinement on texture parameters.</p>
    41424209
    4143 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>In this case
    4144 you do want to do a nonsequential full refinement, so press the <b
    4145 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    4146 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    4147 minor-latin'>OK</span></b> button. A quick look at the console will show that
    4148 there are 61 variables in this refinement. If yours shows more then you didn’t
    4149 clear all the flags in Step 1. The <b style='mso-bidi-font-weight:normal'><span
    4150 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    4151 mso-hansi-theme-font:minor-latin'>Sequential results</span></b> entry is
    4152 deleted from the GSAS-II data tree. A progress bar will show giving the
    4153 residuals during the refinement. When finished, select the <b style='mso-bidi-font-weight:
    4154 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    4155 minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b> phase and its <b
    4156 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    4157 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Texture</span></b>
    4158 tab; if the Texture plot type is still <b style='mso-bidi-font-weight:normal'><span
    4159 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    4160 mso-hansi-theme-font:minor-latin'>Inverse pole figure</span></b> (from Method
    4161 B) you should see</p>
     4210<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>A quick look
     4211at the console will show that there are 61 variables in this refinement. If
     4212yours shows more then you didn’t clear all the flags in Step 1. The <b
     4213style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     4214mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential
     4215results</span></b> entry is deleted from the GSAS-II data tree. A progress bar
     4216will show giving the residuals during the refinement. When finished, select the
     4217<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     4218mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>B2</span></b>
     4219phase and its <b style='mso-bidi-font-weight:normal'><span style='font-family:
     4220"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
     4221minor-latin'>Texture</span></b> tab; if the Texture plot type is still <b
     4222style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     4223mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Inverse pole
     4224figure</span></b> (from Method B) you should see</p>
    41624225
    41634226<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    41654228 o:spid="_x0000_i1028" type="#_x0000_t75" alt="GSAS-II plots: NiTi-C.gpx"
    41664229 style='width:357pt;height:336pt;visibility:visible;mso-wrap-style:square'>
    4167  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image193.png"
     4230 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image155.png"
    41684231  o:title=" NiTi-C"/>
    41694232</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=448
    4170 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image195.png"
     4233src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image156.png"
    41714234alt="GSAS-II plots: NiTi-C.gpx" v:shapes="Picture_x0020_118"><![endif]></span></p>
    41724235
     
    41794242 o:spid="_x0000_i1027" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx"
    41804243 style='width:357pt;height:153.75pt;visibility:visible;mso-wrap-style:square'>
    4181  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image196.png"
     4244 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image157.png"
    41824245  o:title=" NiTi-C"/>
    41834246</v:shape><![endif]--><![if !vml]><img border=0 width=476 height=205
    4184 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image197.png"
     4247src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image158.png"
    41854248alt="GSAS-II project: NiTi-C.gpx" v:shapes="Picture_x0020_119"><![endif]></span></p>
    41864249
     
    41964259 o:spid="_x0000_i1026" type="#_x0000_t75" alt="GSAS-II plots: NiTi-C.gpx"
    41974260 style='width:5in;height:339pt;visibility:visible;mso-wrap-style:square'>
    4198  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image199.png"
     4261 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image159.png"
    41994262  o:title=" NiTi-C"/>
    42004263</v:shape><![endif]--><![if !vml]><img border=0 width=480 height=452
    4201 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image200.png"
     4264src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image160.png"
    42024265alt="GSAS-II plots: NiTi-C.gpx" v:shapes="Picture_x0020_120"><![endif]></span></p>
    42034266
    4204 <p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and <span
    4205 class=GramE>also</span> almost identical to what was obtained in Method A; the
    4206 coefficients are seen in</p>
     4267<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>and also,
     4268almost identical to what was obtained in Method A; the coefficients are seen in</p>
    42074269
    42084270<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    42104272 o:spid="_x0000_i1025" type="#_x0000_t75" alt="GSAS-II project: NiTi-C.gpx"
    42114273 style='width:359.25pt;height:198pt;visibility:visible;mso-wrap-style:square'>
    4212  <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image201.png"
     4274 <v:imagedata src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image161.png"
    42134275  o:title=" NiTi-C"/>
    42144276</v:shape><![endif]--><![if !vml]><img border=0 width=479 height=264
    4215 src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image203.png"
     4277src="Texture%20analysis%20of%202D%20data%20in%20GSAS-II_files/image162.png"
    42164278alt="GSAS-II project: NiTi-C.gpx" v:shapes="Picture_x0020_121"><![endif]></span></p>
    42174279
  • Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II_files/filelist.xml

    r4949 r4961  
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Note: See TracChangeset for help on using the changeset viewer.