Ignore:
Timestamp:
Oct 17, 2012 9:03:11 AM (10 years ago)
Author:
vondreele
Message:

add flag for keep in cells from indexing result
add keep to indel cells result so cells can be retained from one index run to another

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/Fit Peaks.htm

    r780 r782  
    2323  <o:Author>Von Dreele</o:Author>
    2424  <o:LastAuthor>Von Dreele</o:LastAuthor>
    25   <o:Revision>20</o:Revision>
    26   <o:TotalTime>306</o:TotalTime>
     25  <o:Revision>22</o:Revision>
     26  <o:TotalTime>429</o:TotalTime>
    2727  <o:Created>2012-05-05T16:28:00Z</o:Created>
    28   <o:LastSaved>2012-10-05T18:55:00Z</o:LastSaved>
    29   <o:Pages>9</o:Pages>
    30   <o:Words>1909</o:Words>
    31   <o:Characters>10886</o:Characters>
     28  <o:LastSaved>2012-10-16T19:18:00Z</o:LastSaved>
     29  <o:Pages>2</o:Pages>
     30  <o:Words>1952</o:Words>
     31  <o:Characters>11133</o:Characters>
    3232  <o:Company>Argonne National Laboratory</o:Company>
    33   <o:Lines>90</o:Lines>
    34   <o:Paragraphs>25</o:Paragraphs>
    35   <o:CharactersWithSpaces>12770</o:CharactersWithSpaces>
     33  <o:Lines>92</o:Lines>
     34  <o:Paragraphs>26</o:Paragraphs>
     35  <o:CharactersWithSpaces>13059</o:CharactersWithSpaces>
    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"
    43 target="Fit%20Peaks_files/props029.xml">
     42<link rel=dataStoreItem href="Fit%20Peaks_files/item0030.xml"
     43target="Fit%20Peaks_files/props031.xml">
    4444<link rel=themeData href="Fit%20Peaks_files/themedata.thmx">
    4545<link rel=colorSchemeMapping href="Fit%20Peaks_files/colorschememapping.xml">
     
    14171417style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    14181418style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Now
    1419 add refinement of the peak positions. This can be done by clicking on all the refinement
    1420 flags for the individual peaks or it is possible to set them all at the same
    1421 time using this recipe: </p>
     1419add refinement of the peak positions. This can be done by clicking on all the
     1420refinement flags for the individual peaks or it is possible to set them all at
     1421the same time using this recipe: </p>
    14221422
    14231423<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    14801480
    14811481<p class=MsoListParagraphCxSpFirst>The plot window shows the resolution curves
    1482 corresponding 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
    1484 peaks in Peak List. Select the refine flag checkbox for Gaussian <b
    1485 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
     1483coefficients; ‘+’ marks show the individual values based on the sig &amp; gam
     1484values for the peaks in Peak List. Select the refine flag checkbox for Gaussian
     1485<b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri","sans-serif";
    14861486mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:
    14871487minor-latin'>U</span></b>, <b style='mso-bidi-font-weight:normal'><span
     
    15171517src="Fit%20Peaks_files/image012.png" v:shapes="Picture_x0020_11"><![endif]></span></p>
    15181518
    1519 <p class=MsoListParagraphCxSpLast>The <span class=SpellE>Rwp</span> is ~6% as shown
    1520 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
     1520shown on the console window. Again the <b style='mso-bidi-font-weight:normal'><span
    15211521style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    15221522mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Peak List</span></b>
     
    18171817style='font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;
    18181818mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Cancel</span></b>
    1819 on the progress bar window. It may take more than one press to fully stop it.
    1820 My result was </p>
     1819on the progress bar window. Notice the ‘<b style='mso-bidi-font-weight:normal'>keep’</b>
     1820column; this allows you to keep some solutions from one indexing run to the
     1821next. It may take more than one press to fully stop it. My result was </p>
    18211822
    18221823<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
    1823  id="Picture_x0020_20" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:527.25pt;
     1824 id="Picture_x0020_24" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:527.25pt;
    18241825 height:376.5pt;visibility:visible;mso-wrap-style:square'>
    18251826 <v:imagedata src="Fit%20Peaks_files/image021.png" o:title=""/>
    18261827</v:shape><![endif]--><![if !vml]><img border=0 width=703 height=502
    1827 src="Fit%20Peaks_files/image021.png" v:shapes="Picture_x0020_20"><![endif]></span></p>
    1828 
    1829 <p class=MsoNormal>Notice an equally good M20 result with twice the volume. The
    1830 plot shows every peak indexed including a couple of weak peaks not selected for
    1831 the peak fitting.</p>
     1828src="Fit%20Peaks_files/image021.png" v:shapes="Picture_x0020_24"><![endif]></span></p>
     1829
     1830<p class=MsoNormal>Notice two equally good M20 results with different volumes;
     1831other solutions may be obtained as you keep trying the indexing. Be sure to use
     1832keep to keep good ones as you try new indexing runs. The best solution is the
     1833one with the smaller volume. The plot shows every peak indexed including a
     1834couple of weak peaks not selected for the peak fitting.</p>
    18321835
    18331836<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
Note: See TracChangeset for help on using the changeset viewer.