source: trunk/doc/expgui_intro.html @ 786

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1<html>
2<head>
3   <title>Intro to EXPGUI</title>
4   <meta name="keywords" content="crystallography, Rietveld, diffraction,
5   GSAS, EXPGUI">
6</HEAD>
7<style>
8A:link {text-decoration:none}
9A:vlink {text-decoration:none}
10</style>
11
12<BODY BGCOLOR="#FFFFFF"
13      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
14      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
15
16<?
17   include("/var/www/include/navigation.inc");
18   include("/var/www/include/utility.inc");
19?>
20<blockquote><font face="arial, helvetica, sans-serif">
21
22<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
23<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
24</TH></TR></TABLE><BR CLEAR=ALL>
25
26<center>
27<h1>
28<HR noshade width="75%" size="2" align="center">
29Intro to EXPGUI
30<HR noshade width="75%" size="2" align="center">
31</h1></center>
32<P>
33<B>What is EXPGUI?</B><P>
34<blockquote>
35EXPGUI is a graphical user interface (GUI) editor for
36<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
37GSAS</A>
38experiment (.EXP) files and shell which allows all the other GSAS programs
39to be executed with a GUI.
40EXPGUI is not a replacement for the GSAS program EXPEDT.
41EXPGUI can do at best 10% of what
42EXPEDT can do -- but that 10% covers most of the
43actions that I use frequently (and that I could code without a major effort).
44EXPGUI is written in the
45<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A> scripting language, so it is largely platform independent.
46</blockquote>
47
48<p><br><B>Is there documentation?</B>
49<blockquote>Some. There is:
50<UL>
51<LI>
52<A HREF="http://www.ncnr.nist.gov/xtal/software/EXPGUI_reprint.pdf">
53A 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)
54<LI>
55<A HREF="expgui.html">
56A User's Guide</A> (~10 web pages) complete with lots of screen images
57<LI>
58Installation notes for:
59<A HREF="expgui_Win_readme.html">
60Windows</A>,
61<A HREF="expgui_Unix_readme.html">
62UNIX</A>, or
63<A HREF="osx.html">
64Mac OS X</A>.
65<LI>
66<A HREF="expgui_cfg.html">
67Customization notes</A>
68<LI>
69<A HREF="tutorial3/index.html">
70A well-annotated CW neutron tutorial (Alumina).</A>
71<B><I>A very good place to start!</I></B>
72<LI>
73<A HREF="tutorial1/index.html">
74A TOF Tutorial Example (Nickel)</A>
75<LI>
76<A HREF="tutorial2/index.html">
77A CW Neutron Tutorial Example (Garnet)</A>
78</UL>
79Contributions of additional documents or improvements to existing
80documentation is greatly encouraged.
81</blockquote>
82
83<P><B>So what can EXPGUI do?</B>
84<blockquote>
85<dt>
86<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
87as well as the cell and atomic damping and refinement flags.</dt>
88<IMG SRC="note.gif" alt="Note!">
89Create new .EXP files, adding phases and atoms.
90<IMG SRC="new.gif" alt="New!">
91Edit/Delete/Transform atom(s).
92
93<P><dt>
94<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
95phase fractions, profile terms can all be changed.</dt>
96<IMG SRC="note.gif" alt="Note!">Add additional histograms.
97<IMG SRC="new.gif" alt="New!">Change peak profile functions.
98
99<P><dt>
100<i>Least-Squares options:</i> control the number of cycles, the print options
101and F<sub>obs</sub> extraction parameters.</dt>
102
103<BR><IMG SRC="note.gif" alt="Note!">
104Editing and creating [hard] constraints on atomic and profile parameters.
105
106<BR><IMG SRC="note.gif" alt="Note!">
107Create and edit March-Dollase preferred orientation parameters.
108
109<BR><IMG SRC="note.gif" alt="Note!">
110Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
111
112<BR><IMG SRC="note.gif" alt="Note!">
113Modify Phase flags for each histogram
114<BR><IMG SRC="new.gif" alt="New!">   
115Edit excluded data regions and the range of data used in the fit.
116
117</dt>
118
119</blockquote>
120
121<p><br><B>So what can't EXPGUI do?</B>
122<blockquote>Much more than it can do. At this time, EXPGUI can't
123change atom types.
124It cannot create or edit soft constraints
125or hard constraints, other than atomic and profile constraints. It cannot be used on
126magnetic scattering parameters or on single-crystal histograms.
127<p>New features are planned for EXPGUI, but EXPEDT is
128a huge program and EXPGUI will never have all the features in EXPEDT.
129I will consider suggestions for adding more functionality to EXPGUI
130if requested and the job is reasonably tractable.
131</blockquote>
132
133<p><br><B>What type of computers will EXPGUI run on?</B>
134<blockquote>EXPGUI requires a working version of
135<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
136While that is somewhat restrictive,
137it still means that EXPGUI will run on many more platforms than GSAS does.
138Most of the development has been done in LINUX with some testing on SGI. It
139also runs in Windows (-95 through -XP & -2003?) and in Mac OS X.
140I expect that EXPGUI will run on all platforms
141where GSAS does (except perhaps VMS).</blockquote>
142
143<p><br><B>Who is to blame for EXPGUI?</B>
144<blockquote>The initial version of the GUI part of EXPGUI was created by
145Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
146Toby</a> is irresponsible for the rest.</blockquote>
147
148<p><br><B>EXPGUI would be much more of use to me if....</B>
149<blockquote>Gee, you want to add some features... Great! You have all the
150EXPGUI sources and
151<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
152is free. Oh, you want me to do it. Well, please
153ask and I will try. In particular, I am looking for good ideas on
154how to design GUI's for different aspects of experiment editing,
155with an attractive, intuitive and compact layout.</blockquote>
156
157<p><br><B>Mailing List</B>
158<blockquote>If you would like to get news about EXPGUI, please send
159<a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and you will get
160information about updates and bug fixes.
161Having lots of users might also help justify this project to NIST.
162</blockquote>
163
164<p><br><B>A picture</B>
165<img SRC="2s.gif" align=top
166alt="example picture of the EXPGUI interface">
167
168<P><hr WIDTH="100%">
169<blockquote>
170<p>Neither the author nor the U.S. Government makes any warranty, expressed
171or implied, or assumes any liability or
172responsibility for the use of this information or the software described
173here. Brand names cited here are used for
174identification purposes and do not constitute an endorsement by NIST.
175</blockquote>
176<P><hr><P>
177<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
178<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
179</TH></TR></TABLE>
180
181<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
182<font size=-1><? lastmod(); ?> </font>
183<br>$Revision: 786 $ $Date: 2009-12-04 23:12:00 +0000 (Fri, 04 Dec 2009) $
184</blockquote>
185</body>
186</html>
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