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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"
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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> 
54(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)
55<LI>
56<A HREF="expgui.html">
57A User's Guide</A> (~20 web pages) complete with lots of screen images
58<LI>
59Installation notes for:
60<A HREF="expgui_Win_readme.html">
61Windows</A>,
62<A HREF="expgui_Unix_readme.html">
63UNIX</A>, or
64<A HREF="osx.html">
65Mac OS X</A> or plunge ahead to the
66<A HREF="../downloads.html">
67download links.</A>
68<LI>
69<A HREF="expgui_cfg.html">
70Customization notes</A>
71<LI>
72<A HREF="tutorial3/index.html">
73A well-annotated CW neutron tutorial (Alumina).</A>
74<B><I>A very good place to start!</I></B>
75<LI>
76<A HREF="tutorial1/index.html">
77A TOF Tutorial Example (Nickel)</A>
78<LI>
79<A HREF="tutorial2/index.html">
80A CW Neutron Tutorial Example (Garnet)</A>
81</UL>
82Contributions of additional documents or improvements to existing
83documentation is greatly encouraged.
84</blockquote>
85
86<P><B>So what can EXPGUI do?</B>
87<blockquote>
88<dt>
89<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
90as well as the cell and atomic damping and refinement flags.</dt>
91<IMG SRC="note.gif" alt="Note!">
92Create new .EXP files, adding phases and atoms.
93<IMG SRC="new.gif" alt="New!">
94Edit/Delete/Transform atom(s).
95
96<P><dt>
97<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
98phase fractions, profile terms can all be changed.</dt>
99<IMG SRC="note.gif" alt="Note!">Add additional histograms.
100<IMG SRC="new.gif" alt="New!">Change peak profile functions.
101
102<P><dt>
103<i>Least-Squares options:</i> control the number of cycles, the print options
104and F<sub>obs</sub> extraction parameters.</dt>
105
106<BR><IMG SRC="note.gif" alt="Note!">
107Editing and creating [hard] constraints on atomic and profile parameters.
108
109<BR><IMG SRC="note.gif" alt="Note!">
110Create and edit March-Dollase preferred orientation parameters.
111
112<BR><IMG SRC="note.gif" alt="Note!">
113Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
114
115<BR><IMG SRC="note.gif" alt="Note!">
116Modify Phase flags for each histogram
117<BR><IMG SRC="new.gif" alt="New!">   
118Edit excluded data regions and the range of data used in the fit.
119
120</dt>
121
122</blockquote>
123
124<p><br><B>So what can't EXPGUI do?</B>
125<blockquote>Much more than it can do. At this time, EXPGUI can't
126change atom types.
127It cannot create or edit soft constraints
128or many types of hard constraints (other than atomic and profile constraints).
129It cannot be used on
130magnetic scattering parameters or on single-crystal histograms.
131It does do most of the things that commonly used in Rietveld.
132<p>New features are planned for EXPGUI, but this depends on my
133available free time. It should be noted that the GSAS EXPEDT program is
134huge, so EXPGUI will never have all the features in EXPEDT.
135I am glad to get suggestions for adding more functionality to EXPGUI
136(see the
137<A HREF="wishlist.html">"wish list"</A>). Coming up with
138ideas for intuitive GUI additions
139is often half the battle.
140</blockquote>
141
142<p><br><B>What type of computers will EXPGUI run on?</B>
143<blockquote>EXPGUI requires a working version of
144<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
145While that is somewhat restrictive,
146it still means that EXPGUI will run on many more platforms than GSAS does.
147Most of the development has been done in LINUX with some testing on SGI. It
148also runs in Windows (-95 through -XP & -2003?) and in Mac OS X.
149I expect that EXPGUI will run on all platforms
150where GSAS does (except perhaps VMS).</blockquote>
151
152<p><br><B>Where do I get EXPGUI?</B>
153<blockquote>See the
154<A HREF="../downloads.html">
155download links</A> web page or better yet read the installation instructions
156for <A HREF="expgui_Win_readme.html">
157Windows</A>,
158<A HREF="expgui_Unix_readme.html">
159UNIX</A>, or
160<A HREF="osx.html">
161Mac OS X</A>.
162</blockquote>
163
164<p><br><B>Who is to blame for EXPGUI?</B>
165<blockquote>The initial version of the GUI part of EXPGUI was created by
166Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
167Toby</a> is irresponsible for the rest.</blockquote>
168
169<p><br><B>EXPGUI would be much more of use to me if....</B>
170<blockquote>Gee, you want to add some features... Great! You have all the
171EXPGUI sources and
172<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
173is free. Oh, you want me to do it. Well, please
174ask and I will try. In particular, I am looking for good ideas on
175how to design GUI's for different aspects of experiment editing,
176with an attractive, intuitive and compact layout.</blockquote>
177
178<p><br><B>Mailing List</B>
179<blockquote>If you would like to get news about EXPGUI, please send
180<a href="mailto:brian.toby@anl.gov?subject=EXPGUI Mailing List">Brian.Toby@ANL.GOV</a> e-mail. The mailing list is not active at present, but
181I hope to use it again to provide
182information about updates and bug fixes.
183</blockquote>
184
185<p><br><B>A picture</B>
186<img SRC="2s.gif" align=top
187alt="example picture of the EXPGUI interface">
188
189<P><hr WIDTH="100%">
190<blockquote>
191<p>Neither the author nor the U.S. Government makes any warranty, expressed
192or implied, or assumes any liability or
193responsibility for the use of this information or the software described
194here. Brand names cited here are used for
195identification purposes and do not constitute an endorsement by NIST.
196</blockquote>
197<P><hr><P>
198<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
199<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
200</TH></TR></TABLE>
201
202<P>
203<font size=-1><? lastmod(); ?> </font>
204<br>$Revision: 930 $ $Date: 2009-12-04 23:14:35 +0000 (Fri, 04 Dec 2009) $
205</blockquote>
206</body>
207</html>
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