Ignore:
Timestamp:
Oct 8, 2012 3:52:50 PM (10 years ago)
Author:
vondreele
Message:

fix sph. harm. error - bad acosd in CrsAng?
small detail in G2struct - value of 4*pi.
Start on charge flip tutorial

File:
1 edited

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  • trunk/help/Fit Peaks.htm

    r729 r780  
    2323  <o:Author>Von Dreele</o:Author>
    2424  <o:LastAuthor>Von Dreele</o:LastAuthor>
    25   <o:Revision>19</o:Revision>
    26   <o:TotalTime>303</o:TotalTime>
     25  <o:Revision>20</o:Revision>
     26  <o:TotalTime>306</o:TotalTime>
    2727  <o:Created>2012-05-05T16:28:00Z</o:Created>
    28   <o:LastSaved>2012-08-22T19:19:00Z</o:LastSaved>
     28  <o:LastSaved>2012-10-05T18:55:00Z</o:LastSaved>
    2929  <o:Pages>9</o:Pages>
    3030  <o:Words>1909</o:Words>
    31   <o:Characters>10887</o:Characters>
     31  <o:Characters>10886</o:Characters>
    3232  <o:Company>Argonne National Laboratory</o:Company>
    3333  <o:Lines>90</o:Lines>
    3434  <o:Paragraphs>25</o:Paragraphs>
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    3636  <o:Version>14.00</o:Version>
    3737 </o:DocumentProperties>
     
    4040 </o:OfficeDocumentSettings>
    4141</xml><![endif]-->
     42<link rel=dataStoreItem href="Fit%20Peaks_files/item0028.xml"
     43target="Fit%20Peaks_files/props029.xml">
    4244<link rel=themeData href="Fit%20Peaks_files/themedata.thmx">
    4345<link rel=colorSchemeMapping href="Fit%20Peaks_files/colorschememapping.xml">
     
    599601        mso-font-kerning:14.0pt;}
    600602a:link, span.MsoHyperlink
    601         {mso-style-priority:99;
     603        {mso-style-noshow:yes;
     604        mso-style-priority:99;
    602605        color:blue;
    603606        text-decoration:underline;
     
    14141417style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    14151418style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
    1416 add refinement of the peak positions. This can be done by clicking on all the
    1417 refinement flags for the individual peaks or it is possible to set them all at
    1418 the same time using this recipe: </p>
     1419add refinement of the peak positions. This can be done by clicking on all the refinement
     1420flags for the individual peaks or it is possible to set them all at the same
     1421time using this recipe: </p>
    14191422
    14201423<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    14771480
    14781481<p class=MsoListParagraphCxSpFirst>The plot window shows the resolution curves
    1479 corresponding to the values of the Gaussian U, V, W, Lorentzian X &amp; Y
    1480 coefficients; ‘+’ marks show the individual values based on the sig &amp; gam
    1481 values for the peaks in Peak List. Select the refine flag checkbox for Gaussian
    1482 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
     1482corresponding to the values of the Gaussian U, V, W, Lorentzian X &amp; Y coefficients;
     1483‘+’ marks show the individual values based on the sig &amp; gam values for the
     1484peaks in Peak List. Select the refine flag checkbox for Gaussian <b
     1485style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    14831486mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    14841487minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:normal'><span
     
    15141517src="Fit%20Peaks_files/image012.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    15151518
    1516 <p class=MsoListParagraphCxSpLast>The <span class=SpellE>Rwp</span> is ~6% as
    1517 shown on the console window. Again the <b style='mso-bidi-font-weight:normal'><span
     1519<p class=MsoListParagraphCxSpLast>The <span class=SpellE>Rwp</span> is ~6% as shown
     1520on the console window. Again the <b style='mso-bidi-font-weight:normal'><span
    15181521style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    15191522mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak List</span></b>
     
    16901693then the file will remain as it was when created at Step 4 above.</p>
    16911694
    1692 <h1>2<sup>nd</sup> Fit Peaks/<span class=SpellE>Autoindexing</span> in GSAS-II </h1>
     1695<h1><a name="kryptonite_peak_fit">2<sup>nd</sup> Fit Peaks/</a><span
     1696class=SpellE><span style='mso-bookmark:kryptonite_peak_fit'>Autoindexing</span></span><span
     1697style='mso-bookmark:kryptonite_peak_fit'> in GSAS-II</span> </h1>
    16931698
    16941699<p class=MsoNormal>In this exercise we will fit peaks and index them for the
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