source: trunk/doc/expguic.html @ 357

Last change on this file since 357 was 342, checked in by toby, 12 years ago

# on 2000/10/18 00:11:17, toby did:
new error msg
fixup formatting

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  • Property rcs:date set to 2000/10/18 00:11:17
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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<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 alt="New!">
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<a name="Autoupdate"></a>
102<DT>Autoupdate EXP<DD>Normally EXPGUI prompts before rereading the EXP
103file when GENLES, POWPREF,... are run (this is so that one can change
104the experiment file and rerun with the current input). If this option is
105set, the new file is automatically read without a prompt.
106This option is not available in Windows.
107
108<a name="exptoolout"></a>
109<DT>Show EXPTOOL output<DD>
110Normally EXPGUI does not show the output from EXPTOOL, when
111actions like adding atoms, phases or histograms is performed.
112If there are problems, this option should be set to "on"
113so the error can be determined.
114
115<DT>SaveOptions<DD>Save the current values for "Override backspace",
116        <a href="#sortatoms">"Sort atoms by"</a>,
117        <a href="#sorthist">"Sort histograms by"</a> and "archive EXP"
118        in file ~/.gsas_config (c:\.gsas_config on Windows).
119<DT>liveplot_options<DD>Used to set options for liveplot,
120for example, the histogram to be plotted
121</DL>
122<img SRC="m2.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
123</DL></DL>
124
125<a name="3"></a>
126<h3>C.3 Powder Menu</h3>
127<DL><DL>
128This menu contains links to GSAS programs used for powder diffraction
129analysis.
130<DL>
131<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
132<DT>powpref<DD>Powder data preparation (shortcut Alt-P)
133<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
134<DT>powplot<DD>Display powder patterns
135<DT>rawplot<DD>Plot powder data
136<DT>fitspec<DD>Fit a TOF vanadium scattering spectrum
137<DT>tofnorm<DD>Normalize a TOF spectrum
138</DL>
139<img SRC="m3.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
140</DL></DL>
141
142<a name="4"></a>
143<h3>C.4 Single Crystal Menu</h3>
144<DL><DL>
145This menu contains links to GSAS programs used for
146single-rystal diffraction analysis.
147<DL>
148<DT>expedt<DD>Run GSAS experiment editor (shortcut Alt-E)
149<DT>genles<DD>Run GSAS experiment editor (shortcut Alt-G)
150<DT>scabs<DD>Single crystal absorption
151<DT>scmerge<DD>Sort and merge single crystal data
152<DT>sxtldata<DD>Prepare generic single crystal data
153</DL>
154<img SRC="m4.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
155</DL></DL>
156
157<a name="5"></a>
158<h3>C.5 Graphics Menu</h3>
159<DL><DL>
160This menu contains links to several GSAS and
161two non-GSAS (liveplot and widplt)
162programs used for graphical display of data and results.
163<DL>
164<DT>forplot<DD>Display Fourier maps (set Fourier options in EXPEDT
165        and then compute with FOURIER
166<DT>polfplot<DD>Display polefigures
167<DT>powplot<DD>Display powder patterns
168<DT>ortep<DD>Draw crystal structure
169<DT>rawplot<DD>Plot powder data
170<DT>fourier<DD>Generate Fourier map
171<DT>forsrh<DD>Search Fourier map for peaks
172<DT>liveplot<DD>Create a plot of powder data
173with zooming, automatic update and other nice features.
174<DT>vrstplot<DD>Create a VRML 3-D file for viewing with 3rd party software
175<DT>widplt<DD>Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file
176</DL>
177<img SRC="m5.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
178</DL></DL>
179
180<a name="6"></a>
181<h3>C.6 Results Menu</h3>
182<DL><DL>
183This menu contains links to several GSAS and
184one non-GSAS (lstview)
185programs used for analysis of results.
186<DL>
187<DT>bijcalc<DD>Thermal parameter analysis
188<DT>disagl<DD>Distance/angle calculations
189<DT>reflist<DD>List reflection data
190<DT>geometry<DD>Molecular geometry calculations
191<DT>hstdmp<DD>List powder histogram data
192<DT>istats<DD>HKL Intensity statistics
193<DT>rcalc<DD>Compute reflection resuduals
194<DT>composition<DD>Computes the chemical composition of a unit cell
195accounting for site multiplicies and occupancies
196<DT>lstview<DD>Create a box with scrollbars containing the current .LST file
197</DL>
198<img SRC="m6.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
199</DL></DL>
200
201<a name="7"></a>
202<h3>C.7 Calculations Menu</h3>
203<DL><DL>
204This menu contains programs for useful crystallographic computations.
205<DL>
206<DT>cllchg<DD>Transform unit cell
207<DT>fprime<DD>Compute f, f', f'' and mu/rho for an element for a range of x-ray wavelengths
208<DT>rducll<DD>Unit cell reduction
209<DT>spcgroup<DD>Space group symbol interpreter
210<DT>unimol<DD>Unique molecule assembler
211</DL>
212<img SRC="m7.gif" BORDER=3 alt="EXPGUI Screen snapshot">
213</DL></DL>
214
215<a name="8"></a>
216<h3>C.8 Import/Export Menu</h3>
217<DL><DL>
218This menu contains utilities for importing information into GSAS and
219exporting.
220<DL>
221<DT>exp2xtl<DD>Prepare a .XTL format file of atomic positions. This
222file is used in MSI software such as Cerius and InsightII.
223<DT>gsas2cif<DD>Prepare IUCr crystallographic information (CIF) file
224<DT>hklsort<DD>Prepare HKL tables
225<DT>pubtable<DD>Prepare atom parameter tables
226<DT>convert<DD>Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)
227<DT>cad4rd<DD>Prepare CAD4 single crystal data
228<DT>dbwscnv<DD>Convert a powder diffraction data file from DBWS format
229<DT>x17bcnv<DD>Convert an energy dispersive diffractogram data file from NSLS X17b
230<DT>p3r3data<DD>Prepare Siemens/Brucker P3R3 single crystal data
231<DT>sxtldata<DD>Prepare generic single crystal data
232</DL>
233<img SRC="m8.gif"  BORDER=3 alt="EXPGUI Screen snapshot">
234</DL></DL>
235
236
237<hr>
238<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
239<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
240</TH><TH><A Href="expgui7.html">Previous page</A>
241</TH></TR></TABLE>
242
243<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
244<br>
245$Revision: 342 $ $Date: 2009-12-04 23:04:27 +0000 (Fri, 04 Dec 2009) $
246</body>
247</html>
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