source: trunk/doc/expguic.html @ 402

Last change on this file since 402 was 368, checked in by toby, 12 years ago

# on 2000/12/22 21:14:32, toby did:
expand archive documentation to explain how to get files out
document Iconify option
document that Autoload now for Windows
document conflict between Use DISAGL Window & lstview

  • Property rcs:author set to toby
  • Property rcs:date set to 2000/12/22 21:14:32
  • Property rcs:lines set to +59 -12
  • Property rcs:rev set to 1.7
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 11.4 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI</title>
5</head>
6<BODY BGCOLOR="#FFFFFF">
7
8<A HREF=http://www.ncnr.nist.gov>
9<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" 
10alt="Link to NIST Center for Neutron Research home page"
11ALIGN=RIGHT></A>
12<A HREF=http://www.nist.gov>
13<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" 
14alt="Link to National Institute of Standards & Technology home page"
15ALIGN=LEFT></A>
16<CENTER>
17<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
18<IMG SRC="tcltklogo100.gif" 
19alt="Link to Tcl/Tk information">
20</CENTER></A>
21<br clear=all><hr>
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
25</TH><TH><A Href="expgui7.html">Previous page</A>
26</TH></TR></TABLE><BR CLEAR=ALL>
27
28<center><h1>
29EXPGUI, Menu Contents
30</h1></center>
31
32<h2>C. Menu Contents</h2>
33
34<a name="1"></a>
35<H3>C.1 File Menu</H3>
36<DL><DL>
37The options on the File menu as is the custom contains the commands
38for reading and writing experiment files, as well as starting
39and ending the program.
40<DL>
41<DT>expnam<DD>
42        Select an existing GSAS experiment to be used. If a name is entered
43        that does not exists, it is possible to create a new
44        experiment file from scratch.
45<DT>Save<DD>Saves modifications to the current experiment file to disk (shortcut Alt-S).
46<DT>Save As<DD>Saves modifications to the current experiment file to disk
47        under a new file name
48<DT>Reread .EXP file<DD>Reread the last saved version of the experiment file from disk.
49<DT>EraseHistory<DD>Deletes old history records to speed reading of the .EXP file.
50<DT>convert<DD>Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)
51<DT>exit<DD>Exit EXPGUI (shortcut Alt-X or ^C)
52</DL>
53<img SRC="m1.gif" BORDER=3 alt="EXPGUI Screen snapshot">
54</DL></DL>
55
56<a name="2"></a>
57<h3>C.2 Options Menu</h3>
58<DL><DL>
59This menu contains options that determine how EXPGUI runs.
60<DL>
61<a name="archive"></a>
62<DT>archive EXP<DD>Toggles archiving of .EXP files. When on, files are
63        saved prior to each save or run of EXPEDT.
64        Each time a file is saved a note is placed in the .LST file
65        so that the saved file name can be associated with
66        the refinement stage.
67<P>
68<B>UNIX:</B> Old .EXP files are saved in a compressed file named
69[expnam].EXP.xxx.gz where xxx = 000, 001..., if the the gzip
70program can be run by EXPGUI, or in an uncompressed file named
71[expnam].EXP.xxx if gzip is not available.
72To recover an archived file, uncompress it with command
73<tt>gzip [expnam].EXP.xxx.gz</tt> (if needed) and rename it
74to end in .EXP (<tt>mv [expnam].EXP.xxx [new expnam].EXP</tt>).
75It can then be read using EXPGUI
76<P>
77<B>Windows:</B> Old .EXP files are saved in a compressed form in
78a file named [expnam].ZIP, if program PKZIP.EXE is found in the
79same directory where EXPGUI is installed (typically c:\gsas\expgui).
80To read the archived files, you will
81need to use PKZIP or WINZIP to extract and rename them.
82If PKZIP is not installed, the files are archived by
83renaming them [expnam]!xxx.EXP. These archived files can be read
84directly by EXPGUI, but you are suggested to save them under
85a new name using the File/"Save As" option.
86<P>
87<DT>Use DISAGL Window<DD>When this option is set, results from DISAGL are
88         shown in a separate window. When it is not set, the results are
89        written in the .LST file. Note that on Windows, LSTVIEW can interfere
90        with putting output into the DISAGL window. The solution is to
91        close LSTVIEW before running DISAGL.
92
93<a name="Autoupdate"></a>
94<DT>Autoload EXP<DD>Normally EXPGUI prompts before rereading the EXP
95file when GENLES, POWPREF,... or other GSAS programs run
96If this option is set, the new file is automatically read without a prompt.
97The advantage of leaving this option off, is that
98you can opt to not load the
99revised .EXP file, which means that you reject the last set of changes.
100This is useful if
101GENLES blows up or you have done something wrong. The advantage
102of turning "autoload EXP" on is
103that there is one less thing to do when running GSAS programs.
104Note that it is still possible to reverse changes, if
105<a href="#archive">archive mode</A> is on, but this may require more effort.
106
107<a name="Autoicon"></a>
108<DT>Iconify during GSAS<DD>
109If this option is turned on, the main EXPGUI window is shrunk to an icon
110(minimized) while GSAS programs are running and EXPGUI is suspended.
111The author prefers this mode, since there is no reason to have the
112screen cluttered with EXPGUI when it can't be used,
113but this is an option so that the mode can be turned off by those people
114who find this behavior annoying.
115
116<a name="sortatoms"></a>
117<DT>Sort atoms by<DD>   Determines the order that atoms are displayed on the "Phase" pane
118        Atoms may be displayed sorted by number, atom type, site multiplity,
119        occupancy, or by x, y or z coordinate
120<P>
121<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
122Clicking on the heading above the atoms list cycles with the left
123mouse button cycles through the atom sort modes. Clicking with
124the right mouse button resets the atom sort mode to "number".
125
126<a name="sorthist"></a>
127<DT>Sort histograms by<DD>Determines the order that histograms are displayed on the
128        Histogram, Scaling and Profile panes
129
130        Histograms may be sorted by histogram number, histogram type,
131        original bank number, or diffraction angle/wavelength
132<DT><A href="expgui.html#multiplehistogram">Multiple hist. selection</A><DD>
133        When this mode is off, it is possible to modify parameters
134        and refinement flags for only a single histogram. For other settings,
135        it is possible to modify parameters and flags for groups of
136        histograms (see help for Mouse actions).
137
138        It does not make sense, however, to globally modify
139        instrument-related parameters and flags for different histogram types.
140        So global actions can be limited to a single class of histogram types
141        (e.g. TOF, CW Neutron,...), which allows these parameters to be set
142        for groups of similar histograms. Thus, if this mode is set to "All"
143        the Histogram and Profile panes are disabled.
144<DT>Override backspace<DD>This option is available in UNIX only, as there are different
145        ways that backspace can be implemented. When option is set
146        as "On," the backspace key is overridden to send a "delete"
147        character. If backspace does not work in a program such as
148        EXPEDT, change try the other setting for this option.
149
150<a name="exptoolout"></a>
151<DT>Show EXPTOOL output<DD>
152Normally EXPGUI does not show the output from EXPTOOL, when
153actions like adding atoms, phases or histograms is performed.
154If there are problems, this option should be set to "on"
155so the error can be determined.
156
157<DT>SaveOptions<DD>Save the current values for "Override backspace",
158        <a href="#sortatoms">"Sort atoms by"</a>,
159        <a href="#sorthist">"Sort histograms by"</a>,
160        <a href="#archive">"archive EXP"</a>,
161        <a href="#Autoupdate">"Autoload EXP"</a>,
162        and
163        <a href="#Autoicon">"Iconify during GSAS"</a>
164       
165        in file ~/.gsas_config (c:\.gsas_config on Windows).
166<DT>liveplot_options<DD>Used to set options for liveplot,
167for example, the histogram to be plotted
168</DL>
169<img SRC="m2.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
170</DL></DL>
171
172<a name="3"></a>
173<h3>C.3 Powder Menu</h3>
174<DL><DL>
175This menu contains links to GSAS programs used for powder diffraction
176analysis.
177<DL>
178<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
179<DT>powpref<DD>Powder data preparation (shortcut Alt-P)
180<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
181<DT>powplot<DD>Display powder patterns
182<DT>rawplot<DD>Plot powder data
183<DT>fitspec<DD>Fit a TOF vanadium scattering spectrum
184<DT>tofnorm<DD>Normalize a TOF spectrum
185</DL>
186<img SRC="m3.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
187</DL></DL>
188
189<a name="4"></a>
190<h3>C.4 Single Crystal Menu</h3>
191<DL><DL>
192This menu contains links to GSAS programs used for
193single-rystal diffraction analysis.
194<DL>
195<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
196<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
197<DT>scabs<DD>Single crystal absorption
198<DT>scmerge<DD>Sort and merge single crystal data
199<DT>sxtldata<DD>Prepare generic single crystal data
200</DL>
201<img SRC="m4.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
202</DL></DL>
203
204<a name="5"></a>
205<h3>C.5 Graphics Menu</h3>
206<DL><DL>
207This menu contains links to several GSAS and
208two non-GSAS (liveplot and widplt)
209programs used for graphical display of data and results.
210<DL>
211<DT>forplot<DD>Display Fourier maps (set Fourier options in EXPEDT
212        and then compute with FOURIER
213<DT>polfplot<DD>Display polefigures
214<DT>powplot<DD>Display powder patterns
215<DT>ortep<DD>Draw crystal structure
216<DT>rawplot<DD>Plot powder data
217<DT>fourier<DD>Generate Fourier map
218<DT>forsrh<DD>Search Fourier map for peaks
219<DT>liveplot<DD>Create a plot of powder data
220with zooming, automatic update and other nice features.
221<DT>vrstplot<DD>Create a VRML 3-D file for viewing with 3rd party software
222<DT>widplt<DD>Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file
223</DL>
224<img SRC="m5.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
225</DL></DL>
226
227<a name="6"></a>
228<h3>C.6 Results Menu</h3>
229<DL><DL>
230This menu contains links to several GSAS and
231one non-GSAS (lstview)
232programs used for analysis of results.
233<DL>
234<DT>bijcalc<DD>Thermal parameter analysis
235<DT>disagl<DD>Distance/angle calculations
236<DT>reflist<DD>List reflection data
237<DT>geometry<DD>Molecular geometry calculations
238<DT>hstdmp<DD>List powder histogram data
239<DT>istats<DD>HKL Intensity statistics
240<DT>rcalc<DD>Compute reflection resuduals
241<DT>composition<DD>Computes the chemical composition of a unit cell
242accounting for site multiplicies and occupancies
243<DT>lstview<DD>Create a box with scrollbars containing the current .LST file
244</DL>
245<img SRC="m6.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
246</DL></DL>
247
248<a name="7"></a>
249<h3>C.7 Calculations Menu</h3>
250<DL><DL>
251This menu contains programs for useful crystallographic computations.
252<DL>
253<DT>cllchg<DD>Transform unit cell
254<DT>fprime<DD>Compute f, f', f'' and mu/rho for an element for a range of x-ray wavelengths
255<DT>rducll<DD>Unit cell reduction
256<DT>spcgroup<DD>Space group symbol interpreter
257<DT>unimol<DD>Unique molecule assembler
258</DL>
259<img SRC="m7.gif" BORDER=3 alt="EXPGUI Screen snapshot">
260</DL></DL>
261
262<a name="8"></a>
263<h3>C.8 Import/Export Menu</h3>
264<DL><DL>
265This menu contains utilities for importing information into GSAS and
266exporting.
267<DL>
268<DT>exp2xtl<DD>Prepare a .XTL format file of atomic positions. This
269file is used in MSI software such as Cerius and InsightII.
270<DT>gsas2cif<DD>Prepare IUCr crystallographic information (CIF) file
271<DT>hklsort<DD>Prepare HKL tables
272<DT>pubtable<DD>Prepare atom parameter tables
273<DT>convert<DD>Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)
274<DT>cad4rd<DD>Prepare CAD4 single crystal data
275<DT>dbwscnv<DD>Convert a powder diffraction data file from DBWS format
276<DT>x17bcnv<DD>Convert an energy dispersive diffractogram data file from NSLS X17b
277<DT>p3r3data<DD>Prepare Siemens/Brucker P3R3 single crystal data
278<DT>sxtldata<DD>Prepare generic single crystal data
279</DL>
280<img SRC="m8.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
281</DL></DL>
282
283
284<hr>
285<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
286<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
287</TH><TH><A Href="expgui7.html">Previous page</A>
288</TH></TR></TABLE>
289
290<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
291<br>
292$Revision: 368 $ $Date: 2009-12-04 23:05:00 +0000 (Fri, 04 Dec 2009) $
293</body>
294</html>
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