source: trunk/doc/expguic.html @ 404

Last change on this file since 404 was 404, checked in by toby, 12 years ago

# on 2001/06/29 18:28:04, toby did:
add archived files access

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/06/29 18:28:04
  • Property rcs:lines set to +7 -5
  • Property rcs:rev set to 1.8
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 11.5 KB
Line 
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.
72<P>
73Archived files can be loaded by using the File/Open (expnam) command:
74set the "Include Archived Files" checkbox, then select the file to be loaded.
75When an archived file is read, either the same experiment name can be used.
76In which case the archived file will replace the current version of the
77experiment file, or the archived file can be saved under a new name.
78<P>
79<B>Windows:</B> Old .EXP files are saved in a compressed form in
80a file named [expnam].ZIP, if program PKZIP.EXE is found in the
81same directory where EXPGUI is installed (typically c:\gsas\expgui).
82To read the archived files, you will
83need to use PKZIP or WINZIP to extract and rename them.
84If PKZIP is not installed, the files are archived by
85renaming them [expnam]!xxx.EXP. These archived files can be read
86directly by EXPGUI, but you are suggested to save them under
87a new name using the File/"Save As" option.
88<P>
89<DT>Use DISAGL Window<DD>When this option is set, results from DISAGL are
90         shown in a separate window. When it is not set, the results are
91        written in the .LST file. Note that on Windows, LSTVIEW can interfere
92        with putting output into the DISAGL window. The solution is to
93        close LSTVIEW before running DISAGL.
94
95<a name="Autoupdate"></a>
96<DT>Autoload EXP<DD>Normally EXPGUI prompts before rereading the EXP
97file when GENLES, POWPREF,... or other GSAS programs run
98If this option is set, the new file is automatically read without a prompt.
99The advantage of leaving this option off, is that
100you can opt to not load the
101revised .EXP file, which means that you reject the last set of changes.
102This is useful if
103GENLES blows up or you have done something wrong. The advantage
104of turning "autoload EXP" on is
105that there is one less thing to do when running GSAS programs.
106Note that it is still possible to reverse changes, if
107<a href="#archive">archive mode</A> is on, but this may require more effort.
108
109<a name="Autoicon"></a>
110<DT>Iconify during GSAS<DD>
111If this option is turned on, the main EXPGUI window is shrunk to an icon
112(minimized) while GSAS programs are running and EXPGUI is suspended.
113The author prefers this mode, since there is no reason to have the
114screen cluttered with EXPGUI when it can't be used,
115but this is an option so that the mode can be turned off by those people
116who find this behavior annoying.
117
118<a name="sortatoms"></a>
119<DT>Sort atoms by<DD>   Determines the order that atoms are displayed on the "Phase" pane
120        Atoms may be displayed sorted by number, atom type, site multiplity,
121        occupancy, or by x, y or z coordinate
122<P>
123<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
124Clicking on the heading above the atoms list cycles with the left
125mouse button cycles through the atom sort modes. Clicking with
126the right mouse button resets the atom sort mode to "number".
127
128<a name="sorthist"></a>
129<DT>Sort histograms by<DD>Determines the order that histograms are displayed on the
130        Histogram, Scaling and Profile panes
131
132        Histograms may be sorted by histogram number, histogram type,
133        original bank number, or diffraction angle/wavelength
134<DT><A href="expgui.html#multiplehistogram">Multiple hist. selection</A><DD>
135        When this mode is off, it is possible to modify parameters
136        and refinement flags for only a single histogram. For other settings,
137        it is possible to modify parameters and flags for groups of
138        histograms (see help for Mouse actions).
139
140        It does not make sense, however, to globally modify
141        instrument-related parameters and flags for different histogram types.
142        So global actions can be limited to a single class of histogram types
143        (e.g. TOF, CW Neutron,...), which allows these parameters to be set
144        for groups of similar histograms. Thus, if this mode is set to "All"
145        the Histogram and Profile panes are disabled.
146<DT>Override backspace<DD>This option is available in UNIX only, as there are different
147        ways that backspace can be implemented. When option is set
148        as "On," the backspace key is overridden to send a "delete"
149        character. If backspace does not work in a program such as
150        EXPEDT, change try the other setting for this option.
151
152<a name="exptoolout"></a>
153<DT>Show EXPTOOL output<DD>
154Normally EXPGUI does not show the output from EXPTOOL, when
155actions like adding atoms, phases or histograms is performed.
156If there are problems, this option should be set to "on"
157so the error can be determined.
158
159<DT>SaveOptions<DD>Save the current values for "Override backspace",
160        <a href="#sortatoms">"Sort atoms by"</a>,
161        <a href="#sorthist">"Sort histograms by"</a>,
162        <a href="#archive">"archive EXP"</a>,
163        <a href="#Autoupdate">"Autoload EXP"</a>,
164        and
165        <a href="#Autoicon">"Iconify during GSAS"</a>
166       
167        in file ~/.gsas_config (c:\.gsas_config on Windows).
168<DT>liveplot_options<DD>Used to set options for liveplot,
169for example, the histogram to be plotted
170</DL>
171<img SRC="m2.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
172</DL></DL>
173
174<a name="3"></a>
175<h3>C.3 Powder Menu</h3>
176<DL><DL>
177This menu contains links to GSAS programs used for powder diffraction
178analysis.
179<DL>
180<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
181<DT>powpref<DD>Powder data preparation (shortcut Alt-P)
182<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
183<DT>powplot<DD>Display powder patterns
184<DT>rawplot<DD>Plot powder data
185<DT>fitspec<DD>Fit a TOF vanadium scattering spectrum
186<DT>tofnorm<DD>Normalize a TOF spectrum
187</DL>
188<img SRC="m3.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
189</DL></DL>
190
191<a name="4"></a>
192<h3>C.4 Single Crystal Menu</h3>
193<DL><DL>
194This menu contains links to GSAS programs used for
195single-rystal diffraction analysis.
196<DL>
197<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
198<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
199<DT>scabs<DD>Single crystal absorption
200<DT>scmerge<DD>Sort and merge single crystal data
201<DT>sxtldata<DD>Prepare generic single crystal data
202</DL>
203<img SRC="m4.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
204</DL></DL>
205
206<a name="5"></a>
207<h3>C.5 Graphics Menu</h3>
208<DL><DL>
209This menu contains links to several GSAS and
210two non-GSAS (liveplot and widplt)
211programs used for graphical display of data and results.
212<DL>
213<DT>forplot<DD>Display Fourier maps (set Fourier options in EXPEDT
214        and then compute with FOURIER
215<DT>polfplot<DD>Display polefigures
216<DT>powplot<DD>Display powder patterns
217<DT>ortep<DD>Draw crystal structure
218<DT>rawplot<DD>Plot powder data
219<DT>fourier<DD>Generate Fourier map
220<DT>forsrh<DD>Search Fourier map for peaks
221<DT>liveplot<DD>Create a plot of powder data
222with zooming, automatic update and other nice features.
223<DT>vrstplot<DD>Create a VRML 3-D file for viewing with 3rd party software
224<DT>widplt<DD>Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file
225</DL>
226<img SRC="m5.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
227</DL></DL>
228
229<a name="6"></a>
230<h3>C.6 Results Menu</h3>
231<DL><DL>
232This menu contains links to several GSAS and
233one non-GSAS (lstview)
234programs used for analysis of results.
235<DL>
236<DT>bijcalc<DD>Thermal parameter analysis
237<DT>disagl<DD>Distance/angle calculations
238<DT>reflist<DD>List reflection data
239<DT>geometry<DD>Molecular geometry calculations
240<DT>hstdmp<DD>List powder histogram data
241<DT>istats<DD>HKL Intensity statistics
242<DT>rcalc<DD>Compute reflection resuduals
243<DT>composition<DD>Computes the chemical composition of a unit cell
244accounting for site multiplicies and occupancies
245<DT>lstview<DD>Create a box with scrollbars containing the current .LST file
246</DL>
247<img SRC="m6.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
248</DL></DL>
249
250<a name="7"></a>
251<h3>C.7 Calculations Menu</h3>
252<DL><DL>
253This menu contains programs for useful crystallographic computations.
254<DL>
255<DT>cllchg<DD>Transform unit cell
256<DT>fprime<DD>Compute f, f', f'' and mu/rho for an element for a range of x-ray wavelengths
257<DT>rducll<DD>Unit cell reduction
258<DT>spcgroup<DD>Space group symbol interpreter
259<DT>unimol<DD>Unique molecule assembler
260</DL>
261<img SRC="m7.gif" BORDER=3 alt="EXPGUI Screen snapshot">
262</DL></DL>
263
264<a name="8"></a>
265<h3>C.8 Import/Export Menu</h3>
266<DL><DL>
267This menu contains utilities for importing information into GSAS and
268exporting.
269<DL>
270<DT>exp2xtl<DD>Prepare a .XTL format file of atomic positions. This
271file is used in MSI software such as Cerius and InsightII.
272<DT>gsas2cif<DD>Prepare IUCr crystallographic information (CIF) file
273<DT>hklsort<DD>Prepare HKL tables
274<DT>pubtable<DD>Prepare atom parameter tables
275<DT>convert<DD>Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)
276<DT>cad4rd<DD>Prepare CAD4 single crystal data
277<DT>dbwscnv<DD>Convert a powder diffraction data file from DBWS format
278<DT>x17bcnv<DD>Convert an energy dispersive diffractogram data file from NSLS X17b
279<DT>p3r3data<DD>Prepare Siemens/Brucker P3R3 single crystal data
280<DT>sxtldata<DD>Prepare generic single crystal data
281</DL>
282<img SRC="m8.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
283</DL></DL>
284
285
286<hr>
287<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
288<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
289</TH><TH><A Href="expgui7.html">Previous page</A>
290</TH></TR></TABLE>
291
292<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
293<br>
294$Revision: 404 $ $Date: 2009-12-04 23:05:36 +0000 (Fri, 04 Dec 2009) $
295</body>
296</html>
Note: See TracBrowser for help on using the repository browser.