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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI -- LIVEPLOT/BKGEDIT</title>
5   <meta name="keywords" content="crystallography, Rietveld, diffraction,
6   GSAS, EXPGUI">
7</HEAD>
8<style>
9A:link {text-decoration:none}
10A:vlink {text-decoration:none}
11</style>
12
13<BODY BGCOLOR="#FFFFFF"
14      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
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16
17<?
18   include("/var/www/include/navigation.inc");
19   include("/var/www/include/utility.inc");
20?>
21<blockquote><font face="arial, helvetica, sans-serif">
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
25</TH><TH><A Href="excledt.html">Next page<BR>(EXCLEDT)</A>
26</TH><TH><A Href="expguic.html">Previous page</A>
27</TH></TR></TABLE><BR CLEAR=ALL>
28
29<center><h1>
30<HR noshade width="75%" size="2" align="center">
31EXPGUI Utilities (1),<BR>LIVEPLOT and BKGEDIT
32<HR noshade width="75%" size="2" align="center">
33</h1></center>
34This page documents the LIVEPLOT and BKGEDIT utility programs
35in the EXPGUI package.
36LIVEPLOT and BKGEDIT are actually the same program, but perform
37different functions, depending on how they are invoked.
38LIVEPLOT is used to display the quality of the diffraction fit, while
39BKGEDIT is used to fit a background function to fixed background points
40that have been input by the user.
41<P>
42Both LIVEPLOT and BKGEDIT get the current diffraction information
43by running the TCLDUMP program, if installed, or
44HSTDUMP otherwise. The TCLDUMP program has been optimized for use
45with LIVEPLOT and offers a number of extra
46options that are not available when HSTDUMP is used. Since TCLDUMP has been
47included in GSAS since April of 2000, it is assumed that this is now the case.
48
49<a name="liveplot"></a>
50<H3>LIVEPLOT</H3>
51LIVEPLOT is started by pressing the LIVEPLOT button on the toolbar
52or via the Graphs/liveplot menu item.
53<P>
54Some of the features available in LIVEPLOT are:
55<UL>
56<LI>The plot is updated automatically after each refinement run
57<LI>The plot can be zoomed, by clicking on the corners of the
58area to be magnified.
59<LI>
60The units used for plotting histograms can be selected. Choices are:
61native units (2Theta/TOF/KeV); d-space (A) or Q (A<sup>-1</sup>)
62<LI>
63The background (fixed plus fitted) can be plotted or can be subtracted.
64<LI>
65Reflection tickmarks can be displayed in a variety of formats
66<LI>
67LIVEPLOT can be coupled to the LOGIC or CMPR programs, so that
68peak positions from an ICDD entry or for an arbitrary unit cell and
69spacegroup can be shown superimposed on the "Rietveld plot."
70<LI>
71<IMG SRC="note.gif" alt="Note!">
72Reflection indices (<I>hkl</I> values) can be shown for tickmarks
73<LI>
74<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
75The cumulative chi<sup>2</sup> function can be plotted.
76</UL>
77
78<a name="bkgedit"></a>
79<H3>BKGEDIT</H3>
80<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
81BKGEDIT is used to fit a background function to a set of points
82selected by the user.
83For most refinements, this is not needed,
84as it is possible to simply select a background
85function (I find that the type 1 function,
86shifted Chebyschev polynomials, works well)
87and then refine, adding terms until a good fit is obtained.
88On occasion, poor initial fits are obtained in this manner. This is
89most common in cases where large numbers of peaks are poorly fit. Since
90significant sections of the data are not well fit, the refinement results in
91an unreasonable background function, because this yields better agreement
92with the observed data.
93In these cases,
94it may be best to fix the background to follow a "reasonable" curve in the
95initial stages and then refine the background in the final stages of
96refinement, when a good model has been obtained.
97<P>
98The BKGEDIT program, as shown below, is used to input a set a background
99points via the mouse. The points are then used to determine a type 1
100(Chebyschev) background function that fits the input background points. These
101terms can then be saved in the experiment file creating a background that
102is good enough for the initial stages of refinement and that can be
103refined once the model is adequate for the task.
104<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
105BKGEDIT can be used to fit GSAS background functions 1-6 (though
106for most purposes only type 1 is needed.)
107<P>
108<IMG SRC="b1.gif" align=TEXTOP alt="BKGEDIT screen image">
109<H4>Steps in fitting a background function</H4>
110The BKGEDIT program is started from
111via the Powder/bkgedit menu item or by pressing the
112"Fit Background Graphically" button on the
113<A href="expgui3.html#EditBackground">"Edit Background"</A>
114dialog box (invoked from the "Edit Background" button on the
115<A href="expgui3.html">Histogram pane</A>.)
116toolbar
117or
118<OL>
119<LI><a href="#zoom">Zoom in</a> on the lower intensity section of the
120plot, so that the background is clearly discernible. In some cases, the
121data will need to be handled in sections.
122<LI>Press the "Add" button to add background points.
123Note the cursor changes from cross-hairs to an arrow,
124when the "Add" button is pressed.
125<LI>Move the mouse to the first location
126where a background point will be added and click with the left
127mouse button. A magenta triangle will appear at the location.
128Points can be added in any order. It is best to make sure that the fixed points
129are placed over the entire range of the data, e.g. near the maximum and minimum
130data points in TOF, 2theta, etc.
131<DL><DL>
132Note that it is advisable to place many background points in areas where
133the background is changing rapidly (where the background is most bumpy).
134</DL></DL>
135As background points are entered, they are saved in a file named
136<I>EXPNAM</I><font face="courier">.bkg</font><I>N</I>, where
137<I>EXPNAM</I> is the experiment name and <I>N</I> is the histogram number.
138If BKGEDIT is restarted at some later time, these points are reread.
139<LI>If any points are placed in incorrect positions, they can be deleted by
140pressing the "Delete" button. The mouse cursor changes to a circle. When
141the mouse left clicked, the fixed background point closest to the mouse
142position (which may be outside the zoom range) is deleted.
143<LI>Background points can also be edited by entering numbers into the
144"Background points" area.
145<LI>After enough background points have been entered, the
146"Fit" button turns from gray to black. When pressed, the selected
147background function is fitted
148and the resulting curve is shown as a blue dashed line.
149<DL><DL>
150<LI>It is suggested that you start with relatively few
151terms and add terms and background points as needed.
152Note that the maximum number of increases as
153more background points are entered.
154<LI>Editing the terms manually is possible. The curve is reevaluated as
155changes are made.
156<LI>For the type 3 background function (radial distribution function),
157the R terms are listed separately from the other
158background terms. These R (radii) values must be entered manually and
159are not refined.
160</DL></DL>
161<LI>Once a good background function is determined, it can be saved in the
162experiment file by pressing the "Save in EXP file & Exit" button. This will
163set the background type, and save the terms.
164It will also turn off
165the background refinement flag for the appropriate histogram so that the
166terms are not refined inadvertently.
167</OL>
168
169<P>
170Note that POWPREF must be run at least once before BKGEDIT can be used,
171however, use of
172GENLES before BKGEDIT is optional. If the data range is changed, for example
173by excluding a section of the data at the lower end, or changing tmax (dmin),
174the Chebyschev polynomial terms must change to generate the same
175background values, so both POWPREF and BKGEDIT should be rerun to
176regenerate the Chebyschev terms.
177
178<H4>Why not use fixed background points?</H4>
179I personally feel that
180a refined background function is preferrable to use of a fixed model,
181if at all possible.
182One reason for this is that Rietveld refinements usually achieve better fits
183when the background is optimized. A second reason refining the background
184provides a
185feel for the interaction between background values and displacement
186(thermal) parameters.
187Usually, background and displacement parameters are fairly independent, but
188for some materials, where the high Q (high 2theta) portion of the pattern
189has many completely overlapped peaks, it is impossible to uniquely
190determine where the
191background should be placed, either by refinement or by manual placement.
192Under these circumstances, the background should be refined with the
193displacement parameters fixed at an appropriate value for the material. The
194background should then be fixed for all future refinements
195and the displacement parameters can then be refined. <I>Of course this
196means you have predjudiced the refinement to result in the expected
197average displacement parameter and this </I><B>must</B><I> be noted
198any publication. However, if this is necessary, the data simply do not
199contain sufficient information to independently determine
200background and displacement parameters. Use of fixed background points
201would not demonstrate this and would lead the researcher to a false
202sense of security (or fear, if the values are unreasonable)
203that the displacement parameters actually mean something.</I>
204<P>
205If you still want to use fixed background points, despite this tirade,
206be sure to set the estimated
207error on those points to be 0.0. Use of non-zero estimated errors, can
208result in artificially lowered R-factors and chi-squared values.
209In one test, I was able to lower the R<sub>wp</sub> and
210reduced chi<sup>2</sup> values,
211from the correct values of 0.042 and 3.0, respectively, to misleading
212values of 0.036 and 0.8,
213respectively. [As expected, the R(F<sup>2</sup>) stayed constant at 0.045
214with the different fixed background errors;
215FYI, refining the background caused R(F<sup>2</sup>) to drop to 0.036,
216so I would consider the refined background to be better.]
217<P>
218If the background is so truly irregular that only use of fixed background
219points will do,
220BKGEDIT can be used to generate these fixed background points.
221The file used by BKGEDIT to save these points,
222<I>EXPNAM</I><font face="courier">.bkg</font><I>N</I>,
223will define the background points if read directly into EXPEDT
224by typing "@R" at the initial prompt in EXPEDT:
225<FONT FACE="COURIER"><PRE>
226   Is this the file you wish to use? (?,D,K,Q,R,Y) ><u>@r</u>
227</PRE></FONT>
228prompt and then supplying the name of the file, in response to the next prompt:
229<FONT FACE="COURIER"><PRE>
230   Enter the name of your macro file: <u>GARNET.bkg1</u>
231</PRE></FONT>
232Doing this will cause the background points you entered into BKGEDIT to
233be used in GSAS
234fixed background points. If you do this you do not want to save the
235fitted background function as well, as this would effectively subtract
236double the desired background.
237Note that GSAS allows simultaneous use of
238both fixed and a refined background;
239this is seldom done.
240
241<hr><h2>LIVEPLOT/BKGEDIT Features</h2>
242<B>Plot contents:</B>
243Reflection markers can be placed using the File/Tickmarks menu item
244<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">or by pressing the
245"1" key for phase 1, "2" for phase 2,... Note that many attributes
246for reflection markers can be edited using
247Options/<a href="#configTick">Configure Tickmarks</a>
248
249<P>
250<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
251If more than one histogram is available to plot, it is possible to cycle
252between the histograms by pressing the "n" or "N" (for next) key.
253<P>
254<a name="zoom"></a>
255<B>Plot zooming:</B>
256When the left (usual) mouse button is pressed, this defines one corner
257of a region to be magnified, as is shown to the right.
258If the mouse is then moved, the diagonal
259corner of this magnification region is defined. When the left mouse button
260is pressed a second time, the selected section of the plot is magnified to
261fill the entire plot.
262<P>
263Zoom settings are saved.
264If the right mouse button is pressed, the previous zoom setting is used,
265so that the left mouse button is used to "zoom in" and the right mouse
266button is used to "zoom out."
267<P>
268<img SRC="mzoom.gif" align=RIGHT alt="LIVEPLOT manual zoom">
269<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
270Zoom settings can also be entered manually by pressing the "Z" key. This
271opens a dialog, as is shown to the right, where the x- or y-axis range
272can be specified. Any value that is not specified is set to the maximum
273or minimum for the entire dataset. It is possible to zoom further in using
274the mouse, but to zoom out beyond the manual zoom limits, the "reset" button
275on the manual zoom menu must be used.
276<P>
277<br clear=all>
278<h2>Features in LIVEPLOT only</h2>
279<img SRC="lz.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
280<a name="Cchi2"></a>
281<B>The cumulative chi<sup>2</sup></B>
282function was first suggested by
283Bill David as a way to see which reflections have the greatest influence on
284chi<sup>2</sup> [W.I.F. David, <I>Accuracy in Powder Diffraction-III</I>, 2001].
285It is defined for point j as
286<IMG SRC="cchi2.gif" alt="equation for cumulative chi2 function" ALIGN=TOP>
287where y<sub>obs,i</sub> and y<sub>calc,i</sub> are the observed and computed
288data points and sigma<sub>i</sub> is the expected error. Thus, the statistically
289expected value for
290[(y<sub>obs,i</sub>-y<sub>calc,i</sub>)/sigma<sub>i</sub>]<sup>2</sup> is 1
291and this function should rise in a smooth line if all points are fitted as
292statistically expected.
293<P>
294In the plot to the right, the cumulative chi<sup>2</sup> function is shown in
295purple. Note that first peak is not well fit, but the low angle "shoulder" is
296as important as the peak misfitting, with respect to the chi<sup>2</sup>.
297<br clear=all>
298<P>
299<img SRC="lind.gif" BORDER=3 align=RIGHT alt="LIVEPLOT Screen snapshot">
300<B>Reflection indices</B>
301are be displayed by pressing "H" or "h" while the
302mouse is near a reflection (holding the shift key while
303pressing the left mouse button also works, but sometimes interferes with the
304zoom feature).
305Pressing "A" or "a" shows all reflections in the displayed region.
306The indices are shown
307on the screen for phases with tickmarks (as shown to the right).
308Indices are listed in the "Separate window for <I>hkl</I> labels"
309(as seen below) for all phases, regardless of the tickmark settings.
310Displayed indices will remain on the screen for a preset time and
311then will be deleted; alternately, pressing "D" or "d" deletes the hkl labels.
312Several aspects of reflection labeling can be customized,
313see the <a href="#hklOpts">HKL labeling options</a> for further information.
314
315<img SRC="lind1.gif" align=LEFT alt="LIVEPLOT Screen snapshot">
316
317<br clear=all>
318<P>
319<IMG SRC="new.gif" HEIGHT=13 WIDTH=36>
320<B>Export plot to Grace</B>
321The plot can be exported to
322<A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://plasma-gate.weizmann.ac.il/Grace/">Grace</A>, WYSIWYG 2D plotting tool for X-Windows
323that produces publication-quality graphics. Many UNIX users know
324this program under a previous name, xmgr.
325The export is implemented
326by producing an ASCII file with instructions that
327creates a plot with similar formatting to what appears on the
328screen in LIVEPLOT/BKGEDIT. However, the output quality from
329Grace is much higher quality. Further, Grace
330can be used to enhanced and annotate the plot further.
331
332<hr><h2>LIVEPLOT/BKGEDIT Menu Contents</h2>
333A few of these options are omitted from BKGEDIT.
334<img SRC="lm1.gif" align=RIGHT alt="LIVEPLOT Menu">
335<H3>File Menu</H3>
336<DL><DL>
337<DT>Tickmarks
338<DD>Checkbuttons are provided for each phase to determine if tick marks
339will be shown.
340<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">Tickmarks can also be
341toggled by pressing the
342"1" key for phase 1, "2" for phase 2,...
343Also see the Options/<a href="#configTick">Configure Tickmarks</a>
344menu item for information
345on tickmarks.
346<DT>Histogram
347<DD>This allows a histogram to be selected to be loaded
348<DL><DL>
349<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
350It is also possible to advance
351between the histograms by pressing the "n" or "N" (for next) key.
352</DL></DL>
353<DT>Update Plot
354<DD>The causes LIVEPLOT to read read the current histogram again from
355the datafile
356<DT>Export Plot
357<DD>This offers options for exporting the plot in multiple formats.
358I am hoping to add more export formats eventually.
359<DL><DL>
360<DT>to PostScript
361<DD>Creates a <I>low quality</I> PostScript file containing the LIVEPLOT
362output. See the Options/"Set PS output" button for where the file is created.
363Most unix systems are capable or printing PostScript files.
364On Windows, a program such ghostview may be needed to translate the
365PostScript to a format that can be viewed or printed.
366<A name="grace">
367<DT>to Grace
368<IMG SRC="new.gif" HEIGHT=13 WIDTH=36>
369<DD>Plots can be exported to
370<A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://plasma-gate.weizmann.ac.il/Grace/">Grace</A>, WYSIWYG 2D plotting tool for X-Windows
371that produces publication-quality graphics.
372After the plot is exported, it can be further
373enhanced and annotated in grace.
374</DL></DL>
375<DT>Quit
376<DD>Exits BKGEDIT/LIVEPLOT.
377</DL></DL>
378<br clear=all>
379<img SRC="lm2.gif" align=RIGHT alt="LIVEPLOT Menu">
380<H3>Options Menu</H3>
381<DL><DL>
382<a name="configTick"></a>
383<DT>Configure Tickmarks<DD>
384This submenu provides options that controls how tickmarks are displayed.
385<DL><DL>
386<DT>Auto locate<DD>
387When this option is selected, tickmarks are placed in different positions
388for each phase, automatically, similar to how tickmarks are shown in POWPLOT.
389<DT>Manual Placement<DD>
390Tickmarks are drawn at specific heights that can be set for each phase
391(see below). The default
392is for lines to be draw from "-Inf" to "Inf", which creates lines from the
393bottom to the top of the plot.
394<DT>Label by name
395<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
396<DD>
397By default, a label "Phase1",... is displayed in the legend when tickmarks
398for that phase are displayed. When this button is pressed, the first
39920 characters of each phase name (phase title) are used instead. This
400label can be edited, as described in the next paragraph.
401<DT>Phase <I>n</I> opts<DD>
402The options for each phase allow the line to be changed between
403solid and dashed, color of the line can be specified and
404the vertical placement of the tickmarks can be specified. The
405"Show Reflections" flag,
406set in the File/Tickmarks menu,
407as well as the label used for the phase can also be changed here.
408
409</DL></DL>
410<DT>Obs Symbol (Symbol Type)
411<DD>This brings up a menu where the symbol type and size for the
412observed data points (and for BKGEDIT, the fixed background points)
413can be selected.
414<DT>Symbol Color
415<DD>The colors for all the displayed lines and symbols can be changed here.
416<DT>X units
417<DD>The x units can be selected here. The choices are
418"as collected" (2Theta/TOF/KeV), d-space (A) or Q (A<sup>-1</sup>)
419<DT>Y units
420<DD>The intensity values can be normalized by the incident spectrum
421(for energy dispersive methods).
422</DL></DL>
423<br clear=all>
424<img SRC="lm3.gif" align=RIGHT alt="LIVEPLOT menu">
425<a name="hklOpts"></a>
426<DL><DL>
427<DT>HKL labeling
428<DD>This brings up a menu that selects
429<UL><LI>Erase time:
430how long in seconds that <I>hkl</I> values are shown
431before they are erased (0 means that they are not erased),
432<LI>Label size: the size of the
433labels in pixels,
434<LI>Search Region: only reflections within this number of pixels of the mouse,
435when the "h" key is pressed (if any) are labeled,
436<LI>Separate window: when this
437option is selected, reflection labels are shown in a text window
438</UL>
439<DT>Subtract background
440<DD>The background is always shown, even when subtracted
441<DT>Include legend
442<DD>The legend is the optional box in the upper left that defines the
443plot entries
444<DT>Set PS output
445<DD>For UNIX this allows the file to be sent directly to a printer
446or can be saved in a file. For Windows, a file must be written.
447<DT>Set screen font
448<DD>This option is used to control the font used for menus, graphics and
449other aspects of windows.
450<DT>Raise on update
451<DD>This causes the plot to be placed on top of other windows, if partially
452obscured, when the plot is updated. At this time, this option does not
453work in Windows-NT and -2000.
454<DT>Cumulative Chi2
455<DD>The causes the Cumulative chi<sup>2</sup> function to be displayed
456(as <a href="#Cchi2">presented above</a>).
457<DT>Save Options
458<DD>Causes many of the options set in this menu to be saved in the <FONT FACE="COURIER">.gsas_config</FONT> file.
459</DL></DL>
460<br clear=all>
461
462<P>
463<hr><H2>Customization of LIVEPLOT & BKGEDIT</H2><A NAME="customize"></A>
464The <FONT FACE="COURIER">localconfig</FONT> and <FONT FACE="COURIER">.gsas_config</FONT> files are read, if present.
465The following variables control how LIVEPLOT, and in most cases BKGEDIT,
466function and can be
467customized by changing their values in the
468<FONT FACE="COURIER">localconfig</FONT> and <FONT FACE="COURIER">.gsas_config</FONT> files.
469Note that some of these options are relevant only if the tcldump program is
470present.
471<DL><DL>
472<DT><FONT FACE="COURIER">peakinfo(flag<i>n</i>)</FONT><DD>
473These variables define if peak positions will be shown
474for reflections in phase "<i>n</i>". Reflections will be shown if
475the value is non-zero.
476
477<DT><FONT FACE="COURIER">peakinfo(color<i>n</i>)</FONT><DD>
478These variables define the default colors for
479reflections in phase "<i>n</i>"
480
481<DT><FONT FACE="COURIER">peakinfo(dashes<i>n</i>)</FONT><DD>
482These variables define if peaks will be dashed for
483reflections in phase "<i>n</i>" (UNIX only). Lines will be dashed if
484the value is non-zero.
485
486<DT><FONT FACE="COURIER">peakinfo(min<i>n</i>) and peakinfo(max<i>n</i>)</FONT><DD>
487These variables dictate the placement vertical position for reflection
488markers, when manually placed (see expgui(autotick), below). To draw
489to the edge of the screen, use -Inf and Inf.
490</DL></DL>
491
492The following variables are written to <font face="courier">.gsas_config</font> when
493"Save Options" is used. These variables are all set from the GUI and therefore
494do not need to be edited manually.
495
496<DL><DL>
497<DT><FONT FACE="COURIER">graph(printout)</FONT><DD>
498This is set to 1 if PostScript files
499will be printed and 0 if they will be written to disk (for Windows all
500files should be written to disk).
501
502<DT><FONT FACE="COURIER">graph(outname)</FONT><DD>
503This is the default for the file name used
504when PostScript files will be written to disk.
505
506<DT><FONT FACE="COURIER">graph(outcmd)</FONT><DD>
507This is the default for the command used
508to print PostScript files (Unix only).
509
510<DT><FONT FACE="COURIER">graph(legend)</FONT><DD>
511Sets the default value for display of the legend in LIVEPLOT and WIDPLT.
512
513<DT><FONT FACE="COURIER">graph(autoraise)</FONT><DD>
514This option shows up in the options menu item as "Raise on update."
515When set to non-zero, the LIVEPLOT window is raised
516(placed on top of any other overlapping) windows
517each time it is updated.
518This option does not seem to work in Windows-NT, but this may depend on
519the version of Tcl/Tk.
520
521<DT><FONT FACE="COURIER">peakinfo(obssym)</FONT><DD>
522Symbol for observed data points. Valid choices are square, circle, diamond,
523plus, cross, splus and scross.
524
525<DT><FONT FACE="COURIER">peakinfo(obssize)</FONT><DD>
526Size for the symbol for observed data points. A value of 1 corresponds to about 1/8 inch
527(about 3 mm).
528
529<DT><FONT FACE="COURIER">expgui(pixelregion)</FONT><DD>
530When hkl values are loaded (using tcldump) and reflections are labeled, reflections
531can be labeled using a Shift-Left-Mouse click. All labeled reflections within expgui(pixelregion)
532pixels of the mouse position are assumed to be overlapped and are labeled.
533
534<DT><FONT FACE="COURIER">expgui(fadetime)</FONT><DD>
535The time in seconds before reflection labels are removed. A value of zero means that reflections
536must be deleted manually (Shift-Right-Mouse).
537
538<DT><FONT FACE="COURIER">expgui(lblfontsize)</FONT><DD>
539A size for reflections labels in pixels.
540
541<DT><FONT FACE="COURIER">expgui(hklbox)</FONT><DD>
542If this variable is non-zero, reflection indices are shown in a box.
543
544<DT><FONT FACE="COURIER">expgui(autotick)</FONT><DD>
545If this variable is non-zero, reflection markers positions are
546set automatically.
547</DL></DL>
548<P>
549<hr><H2>Installation details/External Programs</H2>
550<B>Using TCLDUMP with LIVEPLOT.</B>
551LIVEPLOT works with the standard GSAS program HSTDMP, but it works faster and is more
552powerful when used with the TCLDUMP program.
553Note that as of the April 2000 releases, GSAS is now distributed with TCLDUMP
554included. For older versions of GSAS, note the
555instructions for downloading this file can in the installation notes for
556<A HREF="expgui_Win_readme.html">
557Windows</A> and
558<A HREF="expgui_Unix_readme.html">
559UNIX</A>.
560<P>
561
562<B>Combining CMPR and LIVEPLOT.</B>
563If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr.html">CMPR</A>
564installed on your computer, you can use superimpose on the GSAS results
565the peaks for an arbitrary unit cell. If desired, space group extinctions
566can even be shown.
567This is pretty neat! To enable this feature, you must have a version
568of CMPR downloaded after 4 May 1998
569<A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr.html">
570(see the CMPR installation instructions.)</A>
571<UL><LI>
572For UNIX, create a link from in the EXPGUI
573directory to file cellgen.tcl in the CMPR directory. For example:
574<FONT FACE="COURIER"><PRE>
575   ln -s /usr/local/cmpr/cellgen.tcl /usr/local/gsas/expgui/cellgen.tcl
576</PRE></FONT>
577<LI>For Windows, copy all the .tcl and .exe files from the CMPR directory
578into the EXPGUI directory.
579</UL>
580<P>
581
582<B>Combining LOGIC and LIVEPLOT.</B>
583If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html">LOGIC</A>
584installed on your computer, you can superimpose peaks
585for a entry from the ICDD/JCPDS database on a pattern in LIVEPLOT.
586This is also pretty neat!
587To enable this feature, you must have
588a version of LOGIC downloaded after 4 May 1998
589<A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html">
590(see the LOGIC installation instructions.)</A>
591<UL><LI>
592For UNIX, create a link from in the GSAS GUI
593directory to file icddcmd.tcl in the LOGIC directory. For example:
594<FONT FACE="COURIER"><PRE>
595   ln -s /usr/local/powdersuite/icddcmd.tcl /usr/local/gsas/expgui/icddcmd.tcl
596</PRE></FONT>
597<LI>For Windows, copy all the LOGIC files into the EXPGUI directory.
598</UL>
599<hr>
600<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
601<TR><TH><A  Href="expgui.html">EXPGUI top</A>
602</TH><TH><A Href="excledt.html">Next page<BR>(EXCLEDT)</A>
603</TH><TH><A Href="expguic.html">Previous page</A>
604</TH></TR></TABLE>
605
606<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
607<br>
608$Revision: 552 $ $Date: 2009-12-04 23:08:05 +0000 (Fri, 04 Dec 2009) $
609</blockquote>
610</body>
611</html>
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