source: trunk/doc/expgui_intro.html @ 411

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# on 2001/08/24 18:56:53, toby did:
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>Intro to EXPGUI
5</title>
6</head>
7<BODY BGCOLOR="#FFFFFF">
8
9<A HREF=http://www.ncnr.nist.gov>
10<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" 
11alt="Link to NIST Center for Neutron Research home page"
12ALIGN=RIGHT></A>
13<A HREF=http://www.nist.gov>
14<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" 
15alt="Link to National Institute of Standards & Technology home page"
16ALIGN=LEFT></A>
17<CENTER>
18<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
19<IMG SRC="tcltklogo100.gif" 
20alt="Link to Tcl/Tk information">
21</CENTER></A>
22<br clear=all><hr>
23
24<center>
25<h1>
26Intro to EXPGUI</h1></center>
27<P>
28<B>What is EXPGUI?</B><P>
29<blockquote>
30EXPGUI is a graphical user interface (GUI) editor for
31<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
32GSAS</A>
33experiment (.EXP) files and shell which allows all the other GSAS programs
34to be executed with a GUI.
35EXPGUI is not a replacement for the GSAS program EXPEDT.
36EXPGUI can do at best 10% of what
37EXPEDT can do -- but that 10% covers most of the
38actions that I use frequently (and that I could code without a major effort).
39EXPGUI is written in the
40<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A> scripting language, so it is largely platform independent.
41</blockquote>
42
43<p><br><B>Is there documentation?</B>
44<blockquote>Some. There is:
45<UL>
46<LI>
47<A HREF="http://www.ncnr.nist.gov/xtal/software/EXPGUI_reprint.pdf">
48A journal article</A> (B. H. Toby, <i>EXPGUI</i>, a graphical user interface for <i>GSAS</i>, <i>J. Appl. Cryst.</i> (2001). <b>34</b>, 210-213)
49<LI>
50<A HREF="expgui.html">
51A User's Guide</A> (~10 web pages) complete with lots of screen images
52<LI>
53<A HREF="expgui_Win_readme.html">
54Installation notes for Windows</A>
55<LI>
56<A HREF="expgui_Unix_readme.html">
57Installation notes for UNIX</A>
58<LI>
59<A HREF="expgui_cfg.html">
60Customization notes</A>
61<LI>
62<A HREF="tutorial1/index.html">
63A TOF Tutorial Example (Nickel)</A>
64<LI>
65<A HREF="tutorial2/index.html">
66A CW Neutron Tutorial Example (Garnet)</A>
67</UL>
68Contributions of additional documents or improvements to existing
69documentation is greatly encouraged.
70</blockquote>
71
72<P><B>So what can EXPGUI do?</B>
73<blockquote>
74<dt>
75<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
76as well as the cell and atomic damping and refinement flags.</dt>
77<IMG SRC="note.gif" alt="Note!">
78Create new .EXP files, adding phases and atoms.
79<IMG SRC="new.gif" alt="New!">
80Edit/Delete/Transform atom(s).
81
82<P><dt>
83<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
84phase fractions, profile terms can all be changed.</dt>
85<IMG SRC="note.gif" alt="Note!">Add additional histograms.
86<IMG SRC="new.gif" alt="New!">Change peak profile functions.
87
88<P><dt>
89<i>Least-Squares options:</i> control the number of cycles, the print options
90and F<sub>obs</sub> extraction parameters.</dt>
91
92<BR><IMG SRC="note.gif" alt="Note!">
93Editing and creating [hard] constraints on atomic and profile parameters.
94
95<BR><IMG SRC="note.gif" alt="Note!">
96Create and edit March-Dollase preferred orientation parameters.
97
98<BR><IMG SRC="note.gif" alt="Note!">
99Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
100
101<BR><IMG SRC="note.gif" alt="Note!">
102Modify Phase flags for each histogram
103
104
105</dt>
106
107</blockquote>
108
109<p><br><B>So what can't EXPGUI do?</B>
110<blockquote>Much more than it can do. At this time, EXPGUI can't
111change atom types.
112It cannot create or edit soft constraints
113or hard constraints, other than atomic and profile constraints. It cannot be used on
114magnetic scattering parameters or on single-crystal histograms.
115It also can't be used change the range of data used or the
116excluded data regions.
117<p>New features are planned for EXPGUI, but EXPEDT is
118a huge program and EXPGUI will never have all the features in EXPEDT.
119I will consider suggestions for adding more functionality to EXPGUI
120if requested and the job is reasonably tractable.
121</blockquote>
122
123<p><br><B>What type of computers will EXPGUI run on?</B>
124<blockquote>EXPGUI requires a working version of
125<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
126While that is somewhat restrictive,
127it still means that EXPGUI will run on many more platforms than GSAS does.
128Most of the development has been done in LINUX with some testing on SGI
129and Windows-95 systems. I expect that EXPGUI will run on all platforms
130where GSAS does (except perhaps VMS).</blockquote>
131
132<p><br><B>Who is to blame for EXPGUI?</B>
133<blockquote>The initial version of the GUI part of EXPGUI was created by
134Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
135Toby</a> is irresponsible for the rest.</blockquote>
136
137<p><br><B>EXPGUI would be much more of use to me if....</B>
138<blockquote>Gee, you want to add some features... Great! You have all the
139EXPGUI sources and
140<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
141is free. Oh, you want me to do it. Well, please
142ask and I will try. In particular, I am looking for good ideas on
143how to design GUI's for different aspects of experiment editing,
144with an attractive, intuitive and compact layout.</blockquote>
145
146<p><br><B>Mailing List</B>
147<blockquote>If you would like to get news about EXPGUI, please send
148<a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and I
149will send you information about updates and bug fixes.
150Having lots of users might also help me justify this project to my
151employers.
152</blockquote>
153
154<p><br><B>A picture</B>
155<img SRC="2s.gif" align=top
156alt="example picture of the EXPGUI interface">
157
158<hr WIDTH="100%">
159<p>Neither the author nor the U.S. Government makes any warranty, expressed
160or implied, or assumes any liability or
161responsibility for the use of this information or the software described
162here. Brand names cited here are used for
163identification purposes and do not constitute an endorsement by NIST.
164<p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
165<br>$Revision: 411 $ $Date: 2009-12-04 23:05:43 +0000 (Fri, 04 Dec 2009) $
166</body>
167</html>
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