source: trunk/doc/expguic.html @ 278

Last change on this file since 278 was 278, checked in by toby, 14 years ago

# on 2000/08/21 19:37:09, toby did:
pretty up page with table of links
  • Property rcs:author set to toby
  • Property rcs:date set to 2000/08/21 19:37:09
  • Property rcs:lines set to +13 -5
  • Property rcs:rev set to 1.3
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.8 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<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 >
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<DT>archive EXP<DD>Toggles archiving of .EXP files. When on, files are
62        saved prior to each save or run of expedt in a file named
63        [expnam].EXP.xxx.gz where xxx = 000, 001 (UNIX)
64        or in a file named [expnam].ZIP or  [expnam].xxx (Windows)
65<DT>Use DISAGL Window<DD>When this option is set, results from DISAGL are
66         shown in a separate window. When it is not set, the results are
67        written in the .LST file.
68<a name="sortatoms"></a>
69<DT>Sort atoms by<DD>   Determines the order that atoms are displayed on the "Phase" pane
70        Atoms may be displayed sorted by number, atom type, site multiplity,
71        occupancy, or by x, y or z coordinate
72<P>
73<IMG SRC="new.gif" HEIGHT=13 WIDTH=36>
74Clicking on the heading above the atoms list cycles with the left
75mouse button cycles through the atom sort modes. Clicking with
76the right mouse button resets the atom sort mode to "number".
77
78<a name="sorthist"></a>
79<DT>Sort histograms by<DD>Determines the order that histograms are displayed on the
80        Histogram, Scaling and Profile panes
81
82        Histograms may be sorted by histogram number, histogram type,
83        original bank number, or diffraction angle/wavelength
84<DT><A href="expgui.html#multiplehistogram">Multiple hist. selection</A><DD>
85        When this mode is off, it is possible to modify parameters
86        and refinement flags for only a single histogram. For other settings,
87        it is possible to modify parameters and flags for groups of
88        histograms (see help for Mouse actions).
89
90        It does not make sense, however, to globally modify
91        instrument-related parameters and flags for different histogram types.
92        So global actions can be limited to a single class of histogram types
93        (e.g. TOF, CW Neutron,...), which allows these parameters to be set
94        for groups of similar histograms. Thus, if this mode is set to "All"
95        the Histogram and Profile panes are disabled.
96<DT>Override backspace<DD>This option is available in UNIX only, as there are different
97        ways that backspace can be implemented. When option is set
98        as "On," the backspace key is overridden to send a "delete"
99        character. If backspace does not work in a program such as
100        EXPEDT, change try the other setting for this option.
101<DT>Autoupdate EXP<DD>Normally EXPGUI prompts before rereading the EXP
102file when GENLES, POWPREF,... are run (this is so that one can change
103the experiment file and rerun with the current input). If this option is
104set, the new file is automatically read without a prompt.
105This option is not available in Windows.
106
107<DT>SaveOptions<DD>Save the current values for "Override backspace",
108        <a href="#sortatoms">"Sort atoms by"</a>,
109        <a href="#sorthist">"Sort histograms by"</a> and "archive EXP"
110        in file ~/.gsas_config (c:\.gsas_config on Windows).
111<DT>liveplot_options<DD>Used to set options for liveplot,
112for example, the histogram to be plotted
113</DL>
114<img SRC="m2.gif"  BORDER=3>
115</DL></DL>
116
117<a name="3"></a>
118<h3>C.3 Powder Menu</h3>
119<DL><DL>
120This menu contains links to GSAS programs used for powder diffraction
121analysis.
122<DL>
123<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
124<DT>powpref<DD>Powder data preparation (shortcut Alt-P)
125<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
126<DT>powplot<DD>Display powder patterns
127<DT>rawplot<DD>Plot powder data
128<DT>fitspec<DD>Fit a TOF vanadium scattering spectrum
129<DT>tofnorm<DD>Normalize a TOF spectrum
130</DL>
131<img SRC="m3.gif"  BORDER=3>
132</DL></DL>
133
134<a name="4"></a>
135<h3>C.4 Single Crystal Menu</h3>
136<DL><DL>
137This menu contains links to GSAS programs used for
138single-rystal diffraction analysis.
139<DL>
140<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
141<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
142<DT>scabs<DD>Single crystal absorption
143<DT>scmerge<DD>Sort and merge single crystal data
144<DT>sxtldata<DD>Prepare generic single crystal data
145</DL>
146<img SRC="m4.gif"  BORDER=3>
147</DL></DL>
148
149<a name="5"></a>
150<h3>C.5 Graphics Menu</h3>
151<DL><DL>
152This menu contains links to several GSAS and
153two non-GSAS (liveplot and widplt)
154programs used for graphical display of data and results.
155<DL>
156<DT>forplot<DD>Display Fourier maps (set Fourier options in EXPEDT
157        and then compute with FOURIER
158<DT>polfplot<DD>Display polefigures
159<DT>powplot<DD>Display powder patterns
160<DT>ortep<DD>Draw crystal structure
161<DT>rawplot<DD>Plot powder data
162<DT>fourier<DD>Generate Fourier map
163<DT>forsrh<DD>Search Fourier map for peaks
164<DT>liveplot<DD>Create a plot of powder data
165with zooming, automatic update and other nice features.
166<DT>vrstplot<DD>Create a VRML 3-D file for viewing with 3rd party software
167<DT>widplt<DD>Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file
168</DL>
169<img SRC="m5.gif"  BORDER=3>
170</DL></DL>
171
172<a name="6"></a>
173<h3>C.6 Results Menu</h3>
174<DL><DL>
175This menu contains links to several GSAS and
176one non-GSAS (lstview)
177programs used for analysis of results.
178<DL>
179<DT>bijcalc<DD>Thermal parameter analysis
180<DT>disagl<DD>Distance/angle calculations
181<DT>reflist<DD>List reflection data
182<DT>geometry<DD>Molecular geometry calculations
183<DT>hstdmp<DD>List powder histogram data
184<DT>istats<DD>HKL Intensity statistics
185<DT>rcalc<DD>Compute reflection resuduals
186<DT>composition<DD>Computes the chemical composition of a unit cell
187accounting for site multiplicies and occupancies
188<DT>lstview<DD>Create a box with scrollbars containing the current .LST file
189</DL>
190<img SRC="m6.gif"  BORDER=3>
191</DL></DL>
192
193<a name="7"></a>
194<h3>C.7 Calculations Menu</h3>
195<DL><DL>
196This menu contains programs for useful crystallographic computations.
197<DL>
198<DT>cllchg<DD>Transform unit cell
199<DT>fprime<DD>Compute f, f', f'' and mu/rho for an element for a range of x-ray wavelengths
200<DT>rducll<DD>Unit cell reduction
201<DT>spcgroup<DD>Space group symbol interpreter
202<DT>unimol<DD>Unique molecule assembler
203</DL>
204<img SRC="m7.gif" BORDER=3>
205</DL></DL>
206
207<a name="8"></a>
208<h3>C.8 Import/Export Menu</h3>
209<DL><DL>
210This menu contains utilities for importing information into GSAS and
211exporting.
212<DL>
213<DT>exp2xtl<DD>Prepare a .XTL format file of atomic positions. This
214file is used in MSI software such as Cerius and InsightII.
215<DT>gsas2cif<DD>Prepare IUCr crystallographic information (CIF) file
216<DT>hklsort<DD>Prepare HKL tables
217<DT>pubtable<DD>Prepare atom parameter tables
218<DT>convert<DD>Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)
219<DT>cad4rd<DD>Prepare CAD4 single crystal data
220<DT>dbwscnv<DD>Convert a powder diffraction data file from DBWS format
221<DT>x17bcnv<DD>Convert an energy dispersive diffractogram data file from NSLS X17b
222<DT>p3r3data<DD>Prepare Siemens/Brucker P3R3 single crystal data
223<DT>sxtldata<DD>Prepare generic single crystal data
224</DL>
225<img SRC="m8.gif"  BORDER=3>
226</DL></DL>
227
228
229<hr>
230<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
231<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
232</TH><TH><A Href="expgui7.html">Previous page</A>
233</TH></TR></TABLE>
234
235<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
236<br>
237$Revision: 278 $ $Date: 2009-12-04 23:03:23 +0000 (Fri, 04 Dec 2009) $
238</body>
239</html>
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