Changeset 610


Ignore:
Timestamp:
May 9, 2012 12:30:11 PM (9 years ago)
Author:
vondreele
Message:

minor cdhange to GSAS

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIgrid.py

    r609 r610  
    3232htmlPanel = None
    3333htmlFrame = None
    34 if sys.platform.lower().startswith('win'):
    35     helpMode = 'browser'    # need a global control to set this
    36 #    helpMode = 'internal'    # need a global control to set this
    37 else:
    38     helpMode = 'browser'    # need a global control to set this
     34helpMode = 'browser'
     35if sys.platform.lower().startswith('win'): helpMode = 'internal' # need a global control to set this
     36   
    3937htmlFirstUse = True
    4038
     
    237235    def TitlePage(self):
    238236        self.parent.frame.SetTitle(self.GetOpenedPage() + ' -- ' +
    239                                    self.GetOpenedPageTitle())
     237            self.GetOpenedPageTitle())
    240238
    241239class DataFrame(wx.Frame):
  • trunk/help/gsasII.html

    r608 r610  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>87</o:Revision>
    28   <o:TotalTime>2820</o:TotalTime>
     27  <o:Revision>92</o:Revision>
     28  <o:TotalTime>2863</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2012-05-08T16:10:00Z</o:LastSaved>
     30  <o:LastSaved>2012-05-09T17:11:00Z</o:LastSaved>
    3131  <o:Pages>8</o:Pages>
    32   <o:Words>7207</o:Words>
    33   <o:Characters>41080</o:Characters>
     32  <o:Words>7183</o:Words>
     33  <o:Characters>40944</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    35   <o:Lines>342</o:Lines>
     35  <o:Lines>341</o:Lines>
    3636  <o:Paragraphs>96</o:Paragraphs>
    37   <o:CharactersWithSpaces>48191</o:CharactersWithSpaces>
     37  <o:CharactersWithSpaces>48031</o:CharactersWithSpaces>
    3838  <o:Version>14.00</o:Version>
    3939 </o:DocumentProperties>
     
    605605        mso-font-kerning:14.0pt;}
    606606a:link, span.MsoHyperlink
    607         {mso-style-priority:99;
     607        {mso-style-noshow:yes;
     608        mso-style-priority:99;
    608609        color:blue;
    609610        text-decoration:underline;
     
    19631964 <o:lock v:ext="edit" aspectratio="t"/>
    19641965</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
    1965  alt="Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
     1966 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
    19661967 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
    19671968 z-index:251657728;visibility:visible;mso-wrap-style:square;
     
    19761977</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
    19771978align=right
    1978 alt="Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
     1979alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
    19791980v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
    19801981for GSAS-II<o:p></o:p></span></h1>
     
    20092010
    20102011<p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight:
    2011 normal'>Lab X-ray powder patt</span><span style='font-weight:normal'>ern
    2012 Rietveld refinement</span></a><o:p></o:p></strong></p>
     2012normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p>
    20132013
    20142014<p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span
     
    20182018<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
    20192019
    2020 <p class=MsoNormal><span class=GramE><strong>Crystal structure drawing (balls
    2021 &amp; sticks, etc.)</strong></span><strong> (<span class=GramE>future</span>)<o:p></o:p></strong></p>
    2022 
    2023 <p class=MsoNormal><strong>Crystal structure drawing (<span class=SpellE>polyhedra</span>)
    2024 (future)<o:p></o:p></strong></p>
    2025 
    2026 <p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p>
    2027 
    2028 <p class=MsoNormal><strong>Charge flipping structure <span class=GramE>solution(</span>future)<o:p></o:p></strong></p>
    2029 
    2030 <p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p>
     2020<p class=MsoNormal><strong>Charge flipping structure solution (future)<o:p></o:p></strong></p>
    20312021
    20322022<div class=MsoNormal align=center style='text-align:center'><span
     
    20732063style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    20742064style='mso-bidi-font-weight:normal'>Open project&#8230;</b> - Open a previously
    2075 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
     2065saved GSAS-II project file (name.gpx). If you currently have a project file
     2066open, you are asked if it is OK to over write it; Cancel will cancel the
     2067process. <b style='mso-bidi-font-weight:normal'>NB</b>: you may open a backup <span
    20782068class=SpellE>gpx</span> file (e.g. name.bak3.gpx) to recover a previous version
    20792069of your project. Remember to <b style='mso-bidi-font-weight:normal'>Save As</b>&#8230;
     
    21302120style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    21312121style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2132 style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
    2133 powder diffraction patterns (multiple patterns can be selected). GSAS-II can read
    2134 most of the old GSAS powder format files with the position in <span
    2135 class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
    2136 class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
    2137 where the position is in degrees 2-theta. As each file is read, an old GSAS
    2138 style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
    2139 class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
    2140 data set is assumed. </p>
     2122style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in powder
     2123diffraction patterns (multiple patterns can be selected). GSAS-II can read most
     2124of the old GSAS powder format files with the position in <span class=SpellE>centidegrees</span>
     21252-theta. It can also read &#8220;<span class=SpellE>xye</span>&#8221; format
     2126files used by <span class=SpellE>topas</span> where the position is in degrees
     21272-theta. As each file is read, an old GSAS style &#8220;instrument parameter
     2128file&#8221; is searched for; if not found a <span class=SpellE>CuK</span><span
     2129style='font-family:Symbol'>a</span> laboratory data set is assumed. </p>
    21412130
    21422131<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    21462135style='mso-bidi-font-weight:normal'>Read image data&#8230;</b> - Read in 2-D
    21472136powder diffraction images (multiple patterns can be selected). GSAS-II can read
    2148 many different image file formats including MAR345 files, Quantum ADSC files, and
    2149 tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these formats
    2150 have data fields that should contain relevant information for the exposure
    2151 (e.g. wavelength), these are rarely filled in correctly by the data acquisition
    2152 software. Thus, you should have separately noted this information as it will be
    2153 needed</p>
     2137many different image file formats including MAR345 files, Quantum ADSC files,
     2138and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these
     2139formats have data fields that should contain relevant information for the
     2140exposure (e.g. wavelength), these are rarely filled in correctly by the data
     2141acquisition software. Thus, you should have separately noted this information
     2142as it will be needed</p>
    21542143
    21552144<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    22282217pair distribution function (PDF) controls for each powder pattern selected in
    22292218the dialog box. See <b style='mso-bidi-font-weight:normal'><span
    2230 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b>
    2231 for further directions.</p>
     2219style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF
     2220Controls</a></span></b> for further directions.</p>
    22322221
    22332222<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    24272416<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Two
    24282417of the main refinement tools are the <span class=SpellE><span class=GramE>fortran</span></span>
    2429 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
     2418MINPACK <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
     2419algorithms wrapped in python as provided in the <span class=SpellE>Scipy</span>
     2420package and a third one is a python version utilizing only the <span
     2421class=SpellE>numpy</span> package. The purpose is to </span>minimize the sum of
     2422the squares of M<span style='mso-fareast-font-family:"Times New Roman"'>
     2423nonlinear functions in N variables by a modification of the <span class=SpellE>Levenberg</span>-Marquardt
    24352424algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
    24362425routines were written by </span>Burton S. <span class=SpellE>Garbow</span>,
     
    24812470style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    24822471style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2483 style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
    2484 Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
    2485 number of least squares cycles to be performed. Least squares cycles are
    2486 determined by the number of times a new Hessian matrix is computes; the <span
    2487 class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
    2488 several times between cycles as it finds the optimal value of the Marquardt
    2489 coefficient. Choices are given in the pull down selection; the default is 3
    2490 cycles.<o:p></o:p></span></p>
     2472style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic Hessian&#8217;
     2473is chosen then select &#8216;Max cycles&#8217;, the maximum number of least
     2474squares cycles to be performed. Least squares cycles are determined by the
     2475number of times a new Hessian matrix is computes; the <span class=SpellE>Levenberg</span>-Marquardt
     2476algorithm may compute the function several times between cycles as it finds the
     2477optimal value of the Marquardt coefficient. Choices are given in the pull down
     2478selection; the default is 3 cycles.<o:p></o:p></span></p>
    24912479
    24922480<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
     
    26752663whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
    26762664file was read by GSAS-II. If you are lucky, there will be useful information
    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>
     2665here (e.g. sample name, date collected, wavelength used, etc.). If not, this
     2666window will be blank. The text is read-only in that anything you try to enter
     2667here is not saved.</span></p>
    26802668
    26812669<span style='mso-bookmark:Comments'></span>
     
    26982686class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the
    26992687&#8216;changed&#8217; row as needed. Use the mouse to select the value to be
    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>
     2688changed (the background on the box will be blue or have a black border or a
     2689vertical bar will appear in the value), then enter the new value and press
     2690Enter or click the mouse elsewhere in the Background window. This will set the
     2691new value.<o:p></o:p></span></p>
    27042692
    27052693<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo6'><![if !supportLists]><span
     
    27262714style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    27272715limits shown to other selected powder patterns. If used, a dialog box (Copy
    2728 Parameters) will appear showing the list of available powder patterns, you can
    2729 copy the limits parameters to any or all of them; select &#8216;All&#8217; to
    2730 copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
     2716Parameters) will appear showing the list of available powder patterns, you can copy
     2717the limits parameters to any or all of them; select &#8216;All&#8217; to copy
     2718them to all patterns. Then select &#8216;OK&#8217; to do the copy;
    27312719&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
    27322720
     
    29352923style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
    29362924style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    2937 instrument parameters shown to other selected powder patterns. If used, a
    2938 dialog box (Copy parameters) will appear showing the list of available powder
     2925instrument parameters shown to other selected powder patterns. If used, a dialog
     2926box (Copy parameters) will appear showing the list of available powder
    29392927patterns, you can copy the instrument parameters to any or all of them; select
    29402928&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
     
    30123000fixed. All values can be changed in this window.<o:p></o:p></span></p>
    30133001
    3014 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
    3015 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
    3016 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
    3017 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     3002<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
     3003Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
     3004do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
     3005style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
    30183006color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
    30193007
    30203008<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
    3021 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3009style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    30223010style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30233011normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
     
    30253013style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30263014normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
    3027 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     3015style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    30283016style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
    3029 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     3017style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    30303018style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30313019normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
     
    30333021<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    30343022text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
    3035 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3023style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    30363024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    30373025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    30383026style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
    3039 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     3027style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    30403028style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    30413029sample parameters shown to other selected powder patterns. If used, a dialog
     
    30473035<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    30483036text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
    3049 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     3037style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    30503038style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    30513039style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    30523040style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    3053 flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
    3054 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
     3041flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
     3042style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
    30553043- &#8211; this copies the sample parameter refinement flags shown to other
    30563044selected powder patterns. If used, a dialog box (Copy refinement flags) will
     
    30603048&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
    30613049
    3062 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     3050<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    30633051style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
    30643052style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
     
    31333121cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
    31343122style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3135 normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
    3136 squares refinement. This can be used in difficult cases to get a refinement
    3137 started toward convergence.<o:p></o:p></span></span></h5>
     3123normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least squares
     3124refinement. This can be used in difficult cases to get a refinement started
     3125toward convergence.<o:p></o:p></span></span></h5>
    31383126
    31393127<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
     
    32873275IMG<o:p></o:p></span></h3>
    32883276
    3289 <h4><a name=Images>Image Controls</a></h4>
    3290 
    3291 <span style='mso-bookmark:Images'></span>
     3277<h4>Image Controls<a name="Image_Controls"></a></h4>
    32923278
    32933279<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
     
    33803366style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
    33813367group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3382 &#8211; this should be set when the phase is initialized; it can be changed
    3383 later. Be careful about the impact on Atom site symmetry and multiplicity if
    3384 you do. GSAS-II will recognize any legal space group symbol using the short
    3385 Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
    3386 fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
    3387 with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
    3388 setting where the center of inversion is located at the origin. The choice of
    3389 space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
     3368&#8211; this should be set when the phase is initialized; it can be changed later.
     3369Be careful about the impact on Atom site symmetry and multiplicity if you do.
     3370GSAS-II will recognize any legal space group symbol using the short Hermann-<span
     3371class=SpellE>Mauguin</span> forms; put a space between the axial fields (e.g.
     3372&#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups with a choice
     3373of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where
     3374the center of inversion is located at the origin. The choice of space group
     3375will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
    33903376
    33913377<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    33953381style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine
    33963382unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3397 &#8211; set this flag to refine the unit cell parameters in a Rietveld or Pawley
    3398 refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>)
    3399 in the expression</span><i style='mso-bidi-font-style:normal'><span
    3400 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><br>
     3383&#8211; set this flag to refine the unit cell parameters in a Rietveld or
     3384Pawley refinement. The actual parameters refined are the symmetry allowed terms
     3385(A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style:
     3386normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family:
     3387"Times New Roman"'><br>
    34013388</span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span
    34023389    style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
     
    36893676style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    36903677style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    3691 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete atoms</b>
    3692 &#8211; clear the entire draw atom table; it is then refilled from the Atoms
    3693 table. You should do this operation after any changes in the Atoms table, e.g.
    3694 by a structure refinement.</p>
     3678</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
     3679atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
     3680the Atoms table. You should do this operation after any changes in the Atoms
     3681table, e.g. by a structure refinement.</p>
    36953682
    36963683<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
     
    37243711console window; it may be cut &amp; pasted to another application (e.g.
    37253712Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
    3726 plane coordinates where the largest range is over the X-axis and the smallest
    3727 is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
     3713plane coordinates where the largest range is over the X-axis and the smallest is
     3714over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
    37283715center of the selection. Root mean square displacements along each axis for the
    37293716best plane are also listed. The Z-axis RMS value indicates the flatness of the
     
    38033790
    38043791<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
    3805 found within the unit cell from the last Fourier map search sorted in order of
    3806 decreasing peak magnitude. The crystal structure plot shows each peak position
    3807 as a white 3-D cross.</p>
     3792found within the unit cell from the last Fourier map search sorted in order of decreasing
     3793peak magnitude. The crystal structure plot shows each peak position as a white
     37943-D cross.</p>
    38083795
    38093796<h5>What can I do here?</h5>
     
    38703857mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
    38713858src=graphbar.jpg
    3872 alt="Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
     3859alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
    38733860style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    38743861
     
    39203907<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
    39213908
    3922 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
    3923 powder patterns that are part of your project are shown on this page. They can be
     3909<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The powder
     3910patterns that are part of your project are shown on this page. They can be
    39243911displayed as a stack of powder patterns, just a single pattern or as a contour
    39253912image of the peak intensities. What can be done here will depend on which is
     
    39433930style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
    39443931the plot status line<b style='mso-bidi-font-weight:normal'> &#8216;key
    3945 press&#8217; </b>&#8211; you can either press the key on the key board or select
    3946 from the pull down menu. For line plots:</p>
     3932press&#8217; </b>&#8211; you can either press the key on the key board or
     3933select from the pull down menu. For line plots:</p>
    39473934
    39483935<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    39703957class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
    39713958style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
    3972 multiple powder profiles, increase the offset down. Does not apply if only one
    3973 pattern.</p>
     3959multiple powder profiles, increase the offset down. Does not apply if only one pattern.</p>
    39743960
    39753961<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    41464132style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    41474133style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
    4148 the mouse cursor across the plot. If on a diagonal cell, the parameter name,
    4149 value and <span class=SpellE>esd</span> is shown both as a tool tip and in the right
     4134the mouse cursor across the plot. If on a diagonal cell, the parameter name, value
     4135and <span class=SpellE>esd</span> is shown both as a tool tip and in the right
    41504136hand portion of the status bar. If the cursor is off the diagonal, the two
    41514137parameter names and their covariance are shown in the tool tip and the status
  • trunk/help/gsasII_files/props011.xml

    r608 r610  
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