Changeset 4932


Ignore:
Timestamp:
Jun 8, 2021 12:12:34 PM (4 months ago)
Author:
vondreele
Message:
 
Location:
Tutorials/2DTexture
Files:
161 added
4 edited

Legend:

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

    r4929 r4932  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
    27   <o:Revision>14</o:Revision>
    28   <o:TotalTime>2275</o:TotalTime>
    29   <o:Created>2015-05-14T17:06:00Z</o:Created>
    30   <o:LastSaved>2021-06-08T14:08:00Z</o:LastSaved>
    31   <o:Pages>1</o:Pages>
    32   <o:Words>4394</o:Words>
    33   <o:Characters>25049</o:Characters>
     27  <o:Revision>2</o:Revision>
     28  <o:TotalTime>2281</o:TotalTime>
     29  <o:Created>2021-06-08T17:10:00Z</o:Created>
     30  <o:LastSaved>2021-06-08T17:10:00Z</o:LastSaved>
     31  <o:Pages>47</o:Pages>
     32  <o:Words>4407</o:Words>
     33  <o:Characters>25121</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>208</o:Lines>
     35  <o:Lines>209</o:Lines>
    3636  <o:Paragraphs>58</o:Paragraphs>
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    3838  <o:Version>16.00</o:Version>
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    17401748"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
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    22302238"Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US;
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    24692477</v:shape><![endif]--><![if !vml]><img width=29 height=35
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    2471 v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample orientation
    2472 angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span
     2479v:shapes="_x0000_i1025"><![endif]></span><![endif]>, and the three sample
     2480orientation angles, <span style='font-family:Symbol'>W</span><sub>s</sub>, <span
    24732481style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:Symbol'>F</span><sub>s</sub>,
    24742482all of which can be adjustable parameters of the refinement. Once the
     
    25592567to accommodate the two possible uses of this correction. In one, a suite of
    25602568spherical harmonics coefficients is defined for the texture of a phase in the
    2561 sample; this can have any of the possible sample symmetries and is the usual result
    2562 desired for texture analysis. The other is the suite of spherical harmonics
    2563 terms for cylindrical sample symmetry for each phase in each powder pattern
    2564 (“histogram”) and is usually used to accommodate preferred orientation effects
    2565 in a Rietveld refinement. The former description allows refinement of the
    2566 sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>,
     2569sample; this can have any of the possible sample symmetries and is the usual
     2570result desired for texture analysis. The other is the suite of spherical
     2571harmonics terms for cylindrical sample symmetry for each phase in each powder
     2572pattern (“histogram”) and is usually used to accommodate preferred orientation
     2573effects in a Rietveld refinement. The former description allows refinement of
     2574the sample orientation zeros, <span style='font-family:Symbol'>W</span><sub>s</sub>,
    25672575<span style='font-family:Symbol'>C</span><sub>s</sub>, <span style='font-family:
    2568 Symbol'>F</span><sub>s</sub>, but the latter description does not (they are assumed
    2569 to be zero and not refinable). The sample orientation angles, (<span
     2576Symbol'>F</span><sub>s</sub>, but the latter description does not (they are
     2577assumed to be zero and not refinable). The sample orientation angles, (<span
    25702578style='font-family:Symbol'>W</span>, <span style='font-family:Symbol'>C</span>,
    25712579<span style='font-family:Symbol'>F) </span>are specified in the Sample
     
    27842792threshold</span></b> to <b style='mso-bidi-font-weight:normal'><span
    27852793style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    2786 mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn reflecting
    2787 this mask. By zooming in you may see isolated red pixels; these are excluded
    2788 points. Make sure the diffraction rings do not have any excluded points. For
    2789 example with the level set to 2200 the plot shows</p>
     2794mso-hansi-theme-font:minor-latin'>2500</span></b>; the image will be redrawn
     2795reflecting this mask. By zooming in you may see isolated red pixels; these are
     2796excluded points. Make sure the diffraction rings do not have any excluded
     2797points. For example with the level set to 2200 the plot shows</p>
    27902798
    27912799<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'><span
     
    33513359
    33523360<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This completes
    3353 the tutorial on Method A for doing texture analysis. It is useful for a case like
    3354 this one where there are very few data sets required for the texture analysis.
    3355 However, for the case of lower sample symmetry one must several dozen or even a
    3356 few hundred histograms and then the suite of parameters can easily be &gt; 1000
    3357 of which only a few dozen describe the texture. This leads to the next Methods
    3358 for texture analysis in GSAS-II.</p>
     3361the tutorial on Method A for doing texture analysis. It is useful for a case
     3362like this one where there are very few data sets required for the texture
     3363analysis. However, for the case of lower sample symmetry one must several dozen
     3364or even a few hundred histograms and then the suite of parameters can easily be
     3365&gt; 1000 of which only a few dozen describe the texture. This leads to the
     3366next Methods for texture analysis in GSAS-II.</p>
    33593367
    33603368<h2 style='margin-top:0in;margin-right:0in;margin-bottom:12.0pt;margin-left:
     
    33663374
    33673375<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>This begins
    3368 the texture analysis in much the same way as Method A except that all the
    3369 initial refinements are done “sequentially”, that is refinements are done for
    3370 the parameters associated with each powder pattern to convergence in a serial
     3376the texture analysis in much the same way as Method A except that all the initial
     3377refinements are done “sequentially”, that is refinements are done for the
     3378parameters associated with each powder pattern to convergence in a serial
    33713379fashion. In this case where there are 10 PWDR data sets, there will be 10
    33723380refinements done in sequence. Parameters that span all the data (e.g. lattice
     
    35233531
    35243532<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>There is a row
    3525 for each data set and columns for all refined parameters and some derived ones along
    3526 with residual and convergence indicators. The residuals are not very good (we
    3527 haven’t really refined much) but the &#916;&#967;<sup>2</sup> column shows that
    3528 convergence was achieved (NB: poor convergence will be highlighted in yellow or
    3529 red depending on how bad it is).</p>
     3533for each data set and columns for all refined parameters and some derived ones
     3534along with residual and convergence indicators. The residuals are not very good
     3535(we haven’t really refined much) but the &#916;&#967;<sup>2</sup> column shows
     3536that convergence was achieved (NB: poor convergence will be highlighted in
     3537yellow or red depending on how bad it is).</p>
    35303538
    35313539<p class=MsoNormal style='margin-bottom:12.0pt;line-height:115%'>If you examine
     
    35643572minor-latin'>Harmonic order</span></b> to <b style='mso-bidi-font-weight:normal'><span
    35653573style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3566 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b>
    3567 and check the <b style='mso-bidi-font-weight:normal'><span style='font-family:
    3568 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:
    3569 minor-latin;mso-bidi-theme-font:minor-latin'>Refine</span></b> box for it
    3570 (Preferred orientation). Then in two steps, do <b style='mso-bidi-font-weight:
     3574mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>6</span></b> and
     3575check the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3576mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3577minor-latin'>Refine</span></b> box for it (Preferred orientation). Then in two
     3578steps, do <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
     3579mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
     3580minor-latin'>Edit Phase/Copy flags</span></b> and <b style='mso-bidi-font-weight:
     3581normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
     3582minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set
     3583All</span></b> for the file selection. Then do <b style='mso-bidi-font-weight:
    35713584normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    35723585minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
    3573 Phase/Copy flags</span></b> and <b style='mso-bidi-font-weight:normal'><span
    3574 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3575 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Set All</span></b>
    3576 for the file selection. Then do <b style='mso-bidi-font-weight:normal'><span
    3577 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
    3578 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Edit
    35793586Phase/Copy selected data</span></b>; that will bring up a new popup</p>
    35803587
     
    40254032Phase/Copy flags</span></b> selecting all data to clear all the flags and an <b
    40264033style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;
    4027 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit
    4028 Phase/Copy selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight:
     4034mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit Phase/Copy
     4035selected data</span></b> for <span class=SpellE><b style='mso-bidi-font-weight:
    40294036normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:
    40304037minor-latin;mso-hansi-theme-font:minor-latin'>Pref.Ori</span></b></span> to
  • Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II_files/colorschememapping.xml

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  • Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II_files/filelist.xml

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  • Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II_files/themedata.thmx

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