Changeset 592


Ignore:
Timestamp:
May 7, 2012 11:25:08 AM (9 years ago)
Author:
vondreele
Message:
 
Location:
trunk/help
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/gsasII.html

    r591 r592  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>82</o:Revision>
    28   <o:TotalTime>2819</o:TotalTime>
     27  <o:Revision>84</o:Revision>
     28  <o:TotalTime>2820</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2012-05-05T15:39:00Z</o:LastSaved>
    31   <o:Pages>8</o:Pages>
    32   <o:Words>7195</o:Words>
    33   <o:Characters>41018</o:Characters>
     30  <o:LastSaved>2012-05-07T03:17:00Z</o:LastSaved>
     31  <o:Pages>9</o:Pages>
     32  <o:Words>7204</o:Words>
     33  <o:Characters>41066</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>341</o:Lines>
     35  <o:Lines>342</o:Lines>
    3636  <o:Paragraphs>96</o:Paragraphs>
    37   <o:CharactersWithSpaces>48117</o:CharactersWithSpaces>
     37  <o:CharactersWithSpaces>48174</o:CharactersWithSpaces>
    3838  <o:Version>14.00</o:Version>
    3939 </o:DocumentProperties>
     
    19631963 <o:lock v:ext="edit" aspectratio="t"/>
    19641964</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
    1965  alt="Description: Description: Description: GSAS-II logo" style='position:absolute;
    1966  margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;z-index:251657728;
    1967  visibility:visible;mso-wrap-style:square;mso-width-percent:0;
    1968  mso-height-percent:0;mso-wrap-distance-left:0;mso-wrap-distance-top:0;
    1969  mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
     1965 alt="Description: Description: Description: Description: Description: GSAS-II logo"
     1966 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
     1967 z-index:251657728;visibility:visible;mso-wrap-style:square;
     1968 mso-width-percent:0;mso-height-percent:0;mso-wrap-distance-left:0;
     1969 mso-wrap-distance-top:0;mso-wrap-distance-right:0;mso-wrap-distance-bottom:0;
    19701970 mso-position-horizontal:right;mso-position-horizontal-relative:text;
    19711971 mso-position-vertical:absolute;mso-position-vertical-relative:line;
     
    19751975 <w:wrap type="square" anchory="line"/>
    19761976</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
    1977 align=right alt="Description: Description: Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
    1978 style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
     1977align=right
     1978alt="Description: Description: Description: Description: Description: GSAS-II logo"
     1979v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
     1980for GSAS-II<o:p></o:p></span></h1>
    19791981
    19801982<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     
    20092011(future)<o:p></o:p></strong></p>
    20102012
    2011 <p class=MsoNormal><strong>CW Neutron powder pattern Rietveld refinement
    2012 (future)<o:p></o:p></strong></p>
     2013<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
     2014style='font-weight:normal'>CW Neutron powder pattern Rietveld refi</span><span
     2015style='font-weight:normal'>nement with constraints</span></a><o:p></o:p></strong></p>
    20132016
    20142017<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement
     
    20702073style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    20712074style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
    2072 saved GSAS-II project file (name.gpx). If you currently have a project file
    2073 open, you are asked if it is OK to over write it; Cancel will cancel the process.
    2074 <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
     2075saved GSAS-II project file (name.gpx). If you currently have a project file open,
     2076you are asked if it is OK to over write it; Cancel will cancel the process. <b
     2077style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
    20752078class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
    20762079of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
     
    22252228pair distribution function (PDF) controls for each powder pattern selected in
    22262229the dialog box. See <b style='mso-bidi-font-weight:normal'><span
    2227 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
    2228 Controls</a></span></b> for further directions.</p>
     2230style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b>
     2231for further directions.</p>
    22292232
    22302233<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    24242427<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
    24252428of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
    2426 MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
    2427 algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
    2428 package and a third one is a python version utilizing only the <span
    2429 class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
    2430 the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
    2431 nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
     2429MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms
     2430wrapped in python as provided in the <span class=SpellE>Scipy</span> package
     2431and a third one is a python version utilizing only the <span class=SpellE>numpy</span>
     2432package. The purpose is to </span>minimize the sum of the squares of M<span
     2433style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N
     2434variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
    24322435algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
    24332436routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
     
    26722675whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
    26732676file was read by GSAS-II. If you are lucky, there will be useful information
    2674 here (e.g. sample name, date collected, wavelength used, etc.). If not, this
    2675 window will be blank. The text is read-only in that anything you try to enter
    2676 here is not saved.</span></p>
     2677here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
     2678will be blank. The text is read-only in that anything you try to enter here is
     2679not saved.</span></p>
    26772680
    26782681<span style='mso-bookmark:Comments'></span>
     
    26952698class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
    26962699&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
    2697 changed (the background on the box will be blue or have a black border or a
    2698 vertical bar will appear in the value), then enter the new value and press
    2699 Enter or click the mouse elsewhere in the Background window. This will set the
    2700 new value.<o:p></o:p></span></p>
     2700changed (the background on the box will be blue or have a black border or a vertical
     2701bar will appear in the value), then enter the new value and press Enter or
     2702click the mouse elsewhere in the Background window. This will set the new
     2703value.<o:p></o:p></span></p>
    27012704
    27022705<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
     
    35503553rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
    35513554ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
    3552 menus for this tab; Edit allows modification of the list of atoms to be
    3553 rendered and Compute gives some options for geometric characterization of
    3554 selected atoms.</p>
     3555menus for this tab; Edit allows modification of the list of atoms to be rendered
     3556and Compute gives some options for geometric characterization of selected
     3557atoms.</p>
    35553558
    35563559<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     
    35713574style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
    35723575Selection from plot: select an atom by a left click of the mouse while holding
    3573 down the Shift key and pointed at the center of the displayed atom, it will turn
    3574 green if successful and the corresponding entry in the table will be
     3576down the Shift key and pointed at the center of the displayed atom, it will
     3577turn green if successful and the corresponding entry in the table will be
    35753578highlighted (in grey); any previous selections will be cleared. To add to .your
    35763579selection use the right mouse button (Shift down); if a previously selection is
     
    38683871mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
    38693872src=graphbar.jpg
    3870 alt="Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
     3873alt="Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
    38713874style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    38723875
     
    40044007style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    40054008class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b
    4006 style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple powder
    4007 profiles, then a contour plot is shown of the observed intensities. All data
    4008 sets must be the same length as the first one to be included in the contour
    4009 plot.</p>
     4009style='mso-bidi-font-weight:normal'>: contour on/off</b> &#8211; if multiple
     4010powder profiles, then a contour plot is shown of the observed intensities. All
     4011data sets must be the same length as the first one to be included in the
     4012contour plot.</p>
    40104013
    40114014<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    41984201<span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family:
    41994202"Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d)
    4200 from the Gaussian and Lorentzian parts of the profile function. The computed
    4201 curves are based on the values of U, V, W, X and Y shown in the Instrument
    4202 Parameters window in parentheses. These are the values for the instrument
    4203 contribution that were set when the powder pattern was first read in to
    4204 GSAS-II. If individual peak fitting has been performed, the values of
    4205 &#8216;sig&#8217; &amp; &#8216;gam&#8217; for the peaks are plotted as
    4206 &#8216;+&#8217;; these are computed from the fitted values of U, V, W, X and Y
    4207 as well as any sig or gam individually refined.<o:p></o:p></span></p>
     4203from the Gaussian and Lorentzian parts of the profile function. The computed curves
     4204are based on the values of U, V, W, X and Y shown in the Instrument Parameters
     4205window in parentheses. These are the values for the instrument contribution
     4206that were set when the powder pattern was first read in to GSAS-II. If
     4207individual peak fitting has been performed, the values of &#8216;sig&#8217;
     4208&amp; &#8216;gam&#8217; for the peaks are plotted as &#8216;+&#8217;; these are
     4209computed from the fitted values of U, V, W, X and Y as well as any sig or gam
     4210individually refined.<o:p></o:p></span></p>
    42084211
    42094212<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
  • trunk/help/gsasII_files/props011.xml

    r588 r592  
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