Changeset 592
- Timestamp:
- May 7, 2012 11:25:08 AM (12 years ago)
- Location:
- trunk/help
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/help/gsasII.html
r591 r592 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>8 2</o:Revision>28 <o:TotalTime>28 19</o:TotalTime>27 <o:Revision>84</o:Revision> 28 <o:TotalTime>2820</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-05-0 5T15:39:00Z</o:LastSaved>31 <o:Pages> 8</o:Pages>32 <o:Words>7 195</o:Words>33 <o:Characters>410 18</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> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>34 1</o:Lines>35 <o:Lines>342</o:Lines> 36 36 <o:Paragraphs>96</o:Paragraphs> 37 <o:CharactersWithSpaces>481 17</o:CharactersWithSpaces>37 <o:CharactersWithSpaces>48174</o:CharactersWithSpaces> 38 38 <o:Version>14.00</o:Version> 39 39 </o:DocumentProperties> … … 1963 1963 <o:lock v:ext="edit" aspectratio="t"/> 1964 1964 </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; 1970 1970 mso-position-horizontal:right;mso-position-horizontal-relative:text; 1971 1971 mso-position-vertical:absolute;mso-position-vertical-relative:line; … … 1975 1975 <w:wrap type="square" anchory="line"/> 1976 1976 </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> 1977 align=right 1978 alt="Description: Description: Description: Description: Description: GSAS-II logo" 1979 v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help 1980 for GSAS-II<o:p></o:p></span></h1> 1979 1981 1980 1982 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This … … 2009 2011 (future)<o:p></o:p></strong></p> 2010 2012 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 2014 style='font-weight:normal'>CW Neutron powder pattern Rietveld refi</span><span 2015 style='font-weight:normal'>nement with constraints</span></a><o:p></o:p></strong></p> 2013 2016 2014 2017 <p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement … … 2070 2073 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2071 2074 style='mso-bidi-font-weight:normal'>Open project…</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 <bstyle='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span2075 saved GSAS-II project file (name.gpx). If you currently have a project file open, 2076 you are asked if it is OK to over write it; Cancel will cancel the process. <b 2077 style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span 2075 2078 class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version 2076 2079 of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>… … … 2225 2228 pair distribution function (PDF) controls for each powder pattern selected in 2226 2229 the 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>2230 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b> 2231 for further directions.</p> 2229 2232 2230 2233 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 2424 2427 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two 2425 2428 of 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 Nvariables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt2429 MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> algorithms 2430 wrapped in python as provided in the <span class=SpellE>Scipy</span> package 2431 and a third one is a python version utilizing only the <span class=SpellE>numpy</span> 2432 package. The purpose is to </span>minimize the sum of the squares of M<span 2433 style='mso-fareast-font-family:"Times New Roman"'> nonlinear functions in N 2434 variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt 2432 2435 algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span> 2433 2436 routines were written by </span>Burton S. <span class=SpellE>Garbow</span>, … … 2672 2675 whatever comment lines (preceded by “#”) found when the powder data 2673 2676 file 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 wi ndow will be blank. The text is read-only in that anything you try to enter2676 here isnot saved.</span></p>2677 here (e.g. sample name, date collected, wavelength used, etc.). If not, this window 2678 will be blank. The text is read-only in that anything you try to enter here is 2679 not saved.</span></p> 2677 2680 2678 2681 <span style='mso-bookmark:Comments'></span> … … 2695 2698 class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the 2696 2699 ‘changed’ 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 newvalue.<o:p></o:p></span></p>2700 changed (the background on the box will be blue or have a black border or a vertical 2701 bar will appear in the value), then enter the new value and press Enter or 2702 click the mouse elsewhere in the Background window. This will set the new 2703 value.<o:p></o:p></span></p> 2701 2704 2702 2705 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span … … 3550 3553 rendered as lines, van der Waals radii balls, sticks, balls & sticks, 3551 3554 ellipsoids & 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 selectedatoms.</p>3555 menus for this tab; Edit allows modification of the list of atoms to be rendered 3556 and Compute gives some options for geometric characterization of selected 3557 atoms.</p> 3555 3558 3556 3559 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 3571 3574 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom 3572 3575 Selection 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 turn3574 green if successful and the corresponding entry in the table will be3576 down the Shift key and pointed at the center of the displayed atom, it will 3577 turn green if successful and the corresponding entry in the table will be 3575 3578 highlighted (in grey); any previous selections will be cleared. To add to .your 3576 3579 selection use the right mouse button (Shift down); if a previously selection is … … 3868 3871 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 3869 3872 src=graphbar.jpg 3870 alt="Description: Description: Description: D :\pyGSAS\help\graphbar.jpg"></span><span3873 alt="Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span 3871 3874 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3872 3875 … … 4004 4007 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 4005 4008 class=GramE><b style='mso-bidi-font-weight:normal'>c</b></span><b 4006 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple powder4007 p rofiles, then a contour plot is shown of the observed intensities. All data4008 sets must be the same length as the first one to be included in the contour 4009 plot.</p>4009 style='mso-bidi-font-weight:normal'>: contour on/off</b> – if multiple 4010 powder profiles, then a contour plot is shown of the observed intensities. All 4011 data sets must be the same length as the first one to be included in the 4012 contour plot.</p> 4010 4013 4011 4014 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 4198 4201 <span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family: 4199 4202 "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’ & ‘gam’ for the peaks are plotted as4206 ‘+’; these are computed from the fitted values of U, V, W, X and Y 4207 as well as any sig or gamindividually refined.<o:p></o:p></span></p>4203 from the Gaussian and Lorentzian parts of the profile function. The computed curves 4204 are based on the values of U, V, W, X and Y shown in the Instrument Parameters 4205 window in parentheses. These are the values for the instrument contribution 4206 that were set when the powder pattern was first read in to GSAS-II. If 4207 individual peak fitting has been performed, the values of ‘sig’ 4208 & ‘gam’ for the peaks are plotted as ‘+’; these are 4209 computed from the fitted values of U, V, W, X and Y as well as any sig or gam 4210 individually refined.<o:p></o:p></span></p> 4208 4211 4209 4212 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4> -
trunk/help/gsasII_files/props011.xml
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