Changeset 613


Ignore:
Timestamp:
May 11, 2012 10:41:32 AM (9 years ago)
Author:
vondreele
Message:

forgot to put combined example in main GSASII.html file

Location:
trunk/help
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/help/gsasII.html

    r610 r613  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>92</o:Revision>
    28   <o:TotalTime>2863</o:TotalTime>
     27  <o:Revision>93</o:Revision>
     28  <o:TotalTime>2865</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2012-05-09T17:11:00Z</o:LastSaved>
     30  <o:LastSaved>2012-05-11T15:39:00Z</o:LastSaved>
    3131  <o:Pages>8</o:Pages>
    32   <o:Words>7183</o:Words>
    33   <o:Characters>40944</o:Characters>
     32  <o:Words>7198</o:Words>
     33  <o:Characters>41032</o:Characters>
    3434  <o:Company>Argonne National Laboratory</o:Company>
    3535  <o:Lines>341</o:Lines>
    3636  <o:Paragraphs>96</o:Paragraphs>
    37   <o:CharactersWithSpaces>48031</o:CharactersWithSpaces>
     37  <o:CharactersWithSpaces>48134</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-noshow:yes;
    608         mso-style-priority:99;
     607        {mso-style-priority:99;
    609608        color:blue;
    610609        text-decoration:underline;
     
    19641963 <o:lock v:ext="edit" aspectratio="t"/>
    19651964</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
    1966  alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
     1965 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
    19671966 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;
    19681967 z-index:251657728;visibility:visible;mso-wrap-style:square;
     
    19771976</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
    19781977align=right
    1979 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
     1978alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"
    19801979v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help
    19811980for GSAS-II<o:p></o:p></span></h1>
     
    20152014style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with
    20162015constraints</span></a><o:p></o:p></strong></p>
     2016
     2017<p class=MsoNormal><strong><a href="Combined%20refinement.htm"><span
     2018style='font-weight:normal'>Combined neutron x-ray Rietveld refinement and
     2019Fourier maps</span></a><o:p></o:p></strong></p>
    20172020
    20182021<p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p>
     
    21202123style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    21212124style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2122 style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in powder
    2123 diffraction patterns (multiple patterns can be selected). GSAS-II can read most
    2124 of the old GSAS powder format files with the position in <span class=SpellE>centidegrees</span>
    2125 2-theta. It can also read &#8220;<span class=SpellE>xye</span>&#8221; format
    2126 files used by <span class=SpellE>topas</span> where the position is in degrees
    2127 2-theta. As each file is read, an old GSAS style &#8220;instrument parameter
    2128 file&#8221; is searched for; if not found a <span class=SpellE>CuK</span><span
    2129 style='font-family:Symbol'>a</span> laboratory data set is assumed. </p>
     2125style='mso-bidi-font-weight:normal'>Read powder data&#8230;</b> - Read in
     2126powder diffraction patterns (multiple patterns can be selected). GSAS-II can
     2127read most of the old GSAS powder format files with the position in <span
     2128class=SpellE>centidegrees</span> 2-theta. It can also read &#8220;<span
     2129class=SpellE>xye</span>&#8221; format files used by <span class=SpellE>topas</span>
     2130where the position is in degrees 2-theta. As each file is read, an old GSAS
     2131style &#8220;instrument parameter file&#8221; is searched for; if not found a <span
     2132class=SpellE>CuK</span><span style='font-family:Symbol'>a</span> laboratory
     2133data set is assumed. </p>
    21302134
    21312135<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    22262230style='mso-bidi-font-weight:normal'>View LS <span class=SpellE>parms</span></b>
    22272231&#8211; This shows a dialog box with all the parameters for your project; those
    2228 to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;.
    2229 Blanks indicate parameters that are not <span class=SpellE>refinable</span>.
    2230 The total number of refined parameters is also shown at the top of the list.
    2231 The value of each parameter is also given. The parameter names are of the form
    2232 &#8216;p<span class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the
    2233 phase index, &#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the
    2234 item index (if needed). Indexes all begin with &#8216;0&#8217; (zero). Note
    2235 that for atom positions the value is not a <span class=SpellE>refinable</span>
    2236 parameter, but the shift in the value is. Position names are, e.g. &#8216;0:<span
    2237 class=GramE>:Ax:0&#8217;</span> for the x-position of the <span class=SpellE>zeroth</span>
    2238 atom in the <span class=SpellE>zeroth</span> phase while shift names have a
    2239 &#8216;d&#8217; in then, e.g. &#8216;0::dAx:0&#8217;. </p>
     2232to be refined are flagged &#8216;True&#8217;, otherwise &#8216;False&#8217;. Blanks
     2233indicate parameters that are not <span class=SpellE>refinable</span>. The total
     2234number of refined parameters is also shown at the top of the list. The value of
     2235each parameter is also given. The parameter names are of the form &#8216;p<span
     2236class=GramE>:h:name:id&#8217;</span> where &#8216;p&#8217; is the phase index,
     2237&#8216;h&#8217; is the histogram index and &#8216;id&#8217; is the item index
     2238(if needed). Indexes all begin with &#8216;0&#8217; (zero). Note that for atom
     2239positions the value is not a <span class=SpellE>refinable</span> parameter, but
     2240the shift in the value is. Position names are, e.g. &#8216;0:<span class=GramE>:Ax:0&#8217;</span>
     2241for the x-position of the <span class=SpellE>zeroth</span> atom in the <span
     2242class=SpellE>zeroth</span> phase while shift names have a &#8216;d&#8217; in
     2243then, e.g. &#8216;0::dAx:0&#8217;. </p>
    22402244
    22412245<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    22882292name.ENT). The file name is found in a directory dialog; you can change
    22892293directories as needed. Only .PDB or .ENT file names are shown. Be careful that
    2290 the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
    2291 follows the GSAS-II conventions (e.g. with spaces between axial fields). A
    2292 dialog box is shown with the proposed phase name. You can change it if desired.</p>
     2294the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file follows
     2295the GSAS-II conventions (e.g. with spaces between axial fields). A dialog box
     2296is shown with the proposed phase name. You can change it if desired.</p>
    22932297
    22942298<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
     
    24632467routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
    24642468needed if your initial <span class=GramE>refinement</span> trials immediately
    2465 diverge, however make sure your starting parameter values are
    2466 &#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
    2467 performance.<o:p></o:p></span></p>
     2469diverge, however make sure your starting parameter values are &#8216;reasonable&#8217;.
     2470The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p>
    24682471
    24692472<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    24702473style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    24712474style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    2472 style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic Hessian&#8217;
    2473 is chosen then select &#8216;Max cycles&#8217;, the maximum number of least
    2474 squares cycles to be performed. Least squares cycles are determined by the
    2475 number of times a new Hessian matrix is computes; the <span class=SpellE>Levenberg</span>-Marquardt
    2476 algorithm may compute the function several times between cycles as it finds the
    2477 optimal value of the Marquardt coefficient. Choices are given in the pull down
    2478 selection; the default is 3 cycles.<o:p></o:p></span></p>
     2475style='mso-fareast-font-family:"Times New Roman"'>If &#8216;analytic
     2476Hessian&#8217; is chosen then select &#8216;Max cycles&#8217;, the maximum
     2477number of least squares cycles to be performed. Least squares cycles are
     2478determined by the number of times a new Hessian matrix is computes; the <span
     2479class=SpellE>Levenberg</span>-Marquardt algorithm may compute the function
     2480several times between cycles as it finds the optimal value of the Marquardt
     2481coefficient. Choices are given in the pull down selection; the default is 3
     2482cycles.<o:p></o:p></span></p>
    24792483
    24802484<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
     
    27132717style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
    27142718style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    2715 limits shown to other selected powder patterns. If used, a dialog box (Copy
    2716 Parameters) will appear showing the list of available powder patterns, you can copy
    2717 the limits parameters to any or all of them; select &#8216;All&#8217; to copy
    2718 them to all patterns. Then select &#8216;OK&#8217; to do the copy;
     2719limits shown to other selected powder patterns. If used, a dialog box (Copy Parameters)
     2720will appear showing the list of available powder patterns, you can copy the
     2721limits parameters to any or all of them; select &#8216;All&#8217; to copy them
     2722to all patterns. Then select &#8216;OK&#8217; to do the copy;
    27192723&#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
    27202724
     
    27862790style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p>
    27872791
    2788 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
    2789 A set of individual Bragg peaks using the pseudo-Voigt profile function as
    2790 their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
     2792<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). A
     2793set of individual Bragg peaks using the pseudo-Voigt profile function as their
     2794shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
    27912795&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
    27922796&#8216;gam&#8217;; each can be selected for refinement. The default values for
     
    29232927style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span
    29242928style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    2925 instrument parameters shown to other selected powder patterns. If used, a dialog
    2926 box (Copy parameters) will appear showing the list of available powder
    2927 patterns, you can copy the instrument parameters to any or all of them; select
    2928 &#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
    2929 do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
    2930 work for instrument parameters that are commensurate with the one that is
    2931 shown, e.g. single radiation patterns will not be updated from K</span><sub><span
     2929instrument parameters shown to other selected powder patterns. If used, a
     2930dialog box (Copy parameters) will appear showing the list of available powder
     2931patterns, you can copy the instrument parameters to any or all of them; select &#8216;All&#8217;
     2932to copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
     2933&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
     2934instrument parameters that are commensurate with the one that is shown, e.g.
     2935single radiation patterns will not be updated from K</span><sub><span
    29322936style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
    29332937style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
     
    29452949&#8211; this copies the instrument parameter refinement flags shown to other
    29462950selected powder patterns. If used, a dialog box (Copy refinement flags) will
    2947 appear showing the list of available powder patterns, you can copy the
    2948 instrument parameter refinement flags to any or all of them; select
    2949 &#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
    2950 do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
    2951 work for instrument parameters that are commensurate with the one that is
    2952 shown, e.g. single radiation patterns will not be updated from K</span><sub><span
     2951appear showing the list of available powder patterns, you can copy the instrument
     2952parameter refinement flags to any or all of them; select &#8216;All&#8217; to
     2953copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
     2954&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
     2955instrument parameters that are commensurate with the one that is shown, e.g.
     2956single radiation patterns will not be updated from K</span><sub><span
    29532957style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
    29542958style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
     
    29963000
    29973001<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
    2998 window show the various sample dependent parameters for this powder pattern.
    2999 The presence of a refine button indicates which can be refined while others are
     3002window show the various sample dependent parameters for this powder pattern. The
     3003presence of a refine button indicates which can be refined while others are
    30003004fixed. All values can be changed in this window.<o:p></o:p></span></p>
    30013005
    3002 <h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
    3003 Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
    3004 do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
    3005 style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
     3006<h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
     3007Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
     3008I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
     3009style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    30063010color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
    30073011
    30083012<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
    3009 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
     3013style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    30103014style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30113015normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
     
    30133017style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30143018normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
    3015 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
     3019style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
    30163020style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
    3017 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
     3021style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
    30183022style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    30193023normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
     
    30213025<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    30223026text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
    3023 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
     3027style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    30243028style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    30253029style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    30263030style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
    3027 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
     3031style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
    30283032style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
    30293033sample parameters shown to other selected powder patterns. If used, a dialog
     
    30353039<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    30363040text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
    3037 style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
     3041style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
    30383042style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    30393043style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    30403044style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    3041 flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
    3042 style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
     3045flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
     3046style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
    30433047- &#8211; this copies the sample parameter refinement flags shown to other
    30443048selected powder patterns. If used, a dialog box (Copy refinement flags) will
     
    30483052&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
    30493053
    3050 <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
     3054<h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
    30513055style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
    30523056style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
     
    31213125cycle </span></span><span style='mso-bookmark:Index_Peaks'><span
    31223126style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    3123 normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least squares
    3124 refinement. This can be used in difficult cases to get a refinement started
    3125 toward convergence.<o:p></o:p></span></span></h5>
     3127normal;mso-bidi-font-weight:bold'>&#8211; perform a single cycle of least
     3128squares refinement. This can be used in difficult cases to get a refinement
     3129started toward convergence.<o:p></o:p></span></span></h5>
    31263130
    31273131<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
     
    31963200</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
    31973201color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
    3198 peaks in the Peak List by selecting rows (should appear in blue) and then
    3199 pressing the Delete key. You can also delete peaks using the mouse on the plot
    3200 by positioning the pointer on the blue line for the peak to be deleted and then
     3202peaks in the Peak List by selecting rows (should appear in blue) and then pressing
     3203the Delete key. You can also delete peaks using the mouse on the plot by
     3204positioning the pointer on the blue line for the peak to be deleted and then
    32013205pressing the right mouse button. The blue line should vanish and the
    32023206corresponding peak will be removed from the Peak List. Be sure that the
     
    33663370style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space
    33673371group</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3368 &#8211; this should be set when the phase is initialized; it can be changed later.
    3369 Be careful about the impact on Atom site symmetry and multiplicity if you do.
    3370 GSAS-II will recognize any legal space group symbol using the short Hermann-<span
    3371 class=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
    3373 of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> setting where
    3374 the center of inversion is located at the origin. The choice of space group
    3375 will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
     3372&#8211; this should be set when the phase is initialized; it can be changed
     3373later. Be careful about the impact on Atom site symmetry and multiplicity if
     3374you do. GSAS-II will recognize any legal space group symbol using the short
     3375Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial
     3376fields (e.g. &#8216;F d 3 m&#8217; not &#8216;Fd3m&#8217;). For space groups
     3377with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup>
     3378setting where the center of inversion is located at the origin. The choice of
     3379space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p>
    33763380
    33773381<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    36253629style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    36263630style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3627 style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the
    3628 atom color back to their defaults for the selected atoms.</p>
     3631style='mso-bidi-font-weight:normal'>Reset atom colors</b> &#8211; return the atom
     3632color back to their defaults for the selected atoms.</p>
    36293633
    36303634<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    36783682</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Delete
    36793683atoms</b> &#8211; clear the entire draw atom table; it is then refilled from
    3680 the Atoms table. You should do this operation after any changes in the Atoms
    3681 table, e.g. by a structure refinement.</p>
     3684the Atoms table. You should do this operation after any changes in the Atoms table,
     3685e.g. by a structure refinement.</p>
    36823686
    36833687<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
     
    37113715console window; it may be cut &amp; pasted to another application (e.g.
    37123716Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
    3713 plane coordinates where the largest range is over the X-axis and the smallest is
    3714 over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
     3717plane coordinates where the largest range is over the X-axis and the smallest
     3718is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
    37153719center of the selection. Root mean square displacements along each axis for the
    37163720best plane are also listed. The Z-axis RMS value indicates the flatness of the
     
    37903794
    37913795<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
    3792 found within the unit cell from the last Fourier map search sorted in order of decreasing
    3793 peak magnitude. The crystal structure plot shows each peak position as a white
    3794 3-D cross.</p>
     3796found within the unit cell from the last Fourier map search sorted in order of
     3797decreasing peak magnitude. The crystal structure plot shows each peak position
     3798as a white 3-D cross.</p>
    37953799
    37963800<h5>What can I do here?</h5>
     
    38573861mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
    38583862src=graphbar.jpg
    3859 alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
     3863alt="Description: Description: Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span
    38603864style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    38613865
     
    39073911<h4><span style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns<o:p></o:p></span></h4>
    39083912
    3909 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The powder
    3910 patterns that are part of your project are shown on this page. They can be
    3911 displayed as a stack of powder patterns, just a single pattern or as a contour
    3912 image of the peak intensities. What can be done here will depend on which is
    3913 displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
     3913<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
     3914powder patterns that are part of your project are shown on this page. They can
     3915be displayed as a stack of powder patterns, just a single pattern or as a
     3916contour image of the peak intensities. What can be done here will depend on
     3917which is displayed and on which item in the GSAS-II data tree you have
     3918selected.<o:p></o:p></span></p>
    39143919
    39153920<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     
    39473952style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    39483953class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
    3949 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
    3950 of multiple powder profiles, increase the offset to the left. Does not apply if
     3954style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of
     3955multiple powder profiles, increase the offset to the left. Does not apply if
    39513956only one pattern.</p>
    39523957
     
    39573962class=GramE><b style='mso-bidi-font-weight:normal'>d</b></span><b
    39583963style='mso-bidi-font-weight:normal'>: offset down</b> - for a waterfall plot of
    3959 multiple powder profiles, increase the offset down. Does not apply if only one pattern.</p>
     3964multiple powder profiles, increase the offset down. Does not apply if only one
     3965pattern.</p>
    39603966
    39613967<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     
    41324138style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    41334139style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
    4134 the mouse cursor across the plot. If on a diagonal cell, the parameter name, value
    4135 and <span class=SpellE>esd</span> is shown both as a tool tip and in the right
    4136 hand portion of the status bar. If the cursor is off the diagonal, the two
    4137 parameter names and their covariance are shown in the tool tip and the status
    4138 bar.</p>
     4140the mouse cursor across the plot. If on a diagonal cell, the parameter name,
     4141value and <span class=SpellE>esd</span> is shown both as a tool tip and in the
     4142right hand portion of the status bar. If the cursor is off the diagonal, the
     4143two parameter names and their covariance are shown in the tool tip and the
     4144status bar.</p>
    41394145
    41404146<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
    41414147style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    41424148style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
    4143 the Zoom and Pan buttons to focus on some section of the variance-covariance
    4144 matrix. </p>
     4149the Zoom and Pan buttons to focus on some section of the variance-covariance matrix.
     4150</p>
    41454151
    41464152<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span
     
    41884194curves are based on the values of U, V, W, X and Y shown in the Instrument
    41894195Parameters window in parentheses. These are the values for the instrument
    4190 contribution that were set when the powder pattern was first read in to
    4191 GSAS-II. If individual peak fitting has been performed, the values of
    4192 &#8216;sig&#8217; &amp; &#8216;gam&#8217; for the peaks are plotted as
    4193 &#8216;+&#8217;; these are computed from the fitted values of U, V, W, X and Y
    4194 as well as any sig or gam individually refined.<o:p></o:p></span></p>
     4196contribution that were set when the powder pattern was first read in to GSAS-II.
     4197If individual peak fitting has been performed, the values of &#8216;sig&#8217;
     4198&amp; &#8216;gam&#8217; for the peaks are plotted as &#8216;+&#8217;; these are
     4199computed from the fitted values of U, V, W, X and Y as well as any sig or gam
     4200individually refined.<o:p></o:p></span></p>
    41954201
    41964202<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
  • trunk/help/gsasII_files/props011.xml

    r610 r613  
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