source: trunk/doc/expgui_intro.html @ 718

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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>
58<A HREF="expgui_Win_readme.html">
59Installation notes for Windows</A>
60<LI>
61<A HREF="expgui_Unix_readme.html">
62Installation notes for UNIX</A>
63<LI>
64<A HREF="expgui_cfg.html">
65Customization notes</A>
66<LI>
67<A HREF="tutorial3/index.html">
68A well-annotated CW neutron tutorial (Alumina). A very good place to start!</A>
69<LI>
70<A HREF="tutorial1/index.html">
71A TOF Tutorial Example (Nickel)</A>
72<LI>
73<A HREF="tutorial2/index.html">
74A CW Neutron Tutorial Example (Garnet)</A>
75</UL>
76Contributions of additional documents or improvements to existing
77documentation is greatly encouraged.
78</blockquote>
79
80<P><B>So what can EXPGUI do?</B>
81<blockquote>
82<dt>
83<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
84as well as the cell and atomic damping and refinement flags.</dt>
85<IMG SRC="note.gif" alt="Note!">
86Create new .EXP files, adding phases and atoms.
87<IMG SRC="new.gif" alt="New!">
88Edit/Delete/Transform atom(s).
89
90<P><dt>
91<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
92phase fractions, profile terms can all be changed.</dt>
93<IMG SRC="note.gif" alt="Note!">Add additional histograms.
94<IMG SRC="new.gif" alt="New!">Change peak profile functions.
95
96<P><dt>
97<i>Least-Squares options:</i> control the number of cycles, the print options
98and F<sub>obs</sub> extraction parameters.</dt>
99
100<BR><IMG SRC="note.gif" alt="Note!">
101Editing and creating [hard] constraints on atomic and profile parameters.
102
103<BR><IMG SRC="note.gif" alt="Note!">
104Create and edit March-Dollase preferred orientation parameters.
105
106<BR><IMG SRC="note.gif" alt="Note!">
107Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
108
109<BR><IMG SRC="note.gif" alt="Note!">
110Modify Phase flags for each histogram
111
112
113</dt>
114
115</blockquote>
116
117<p><br><B>So what can't EXPGUI do?</B>
118<blockquote>Much more than it can do. At this time, EXPGUI can't
119change atom types.
120It cannot create or edit soft constraints
121or hard constraints, other than atomic and profile constraints. It cannot be used on
122magnetic scattering parameters or on single-crystal histograms.
123It also can't be used change the range of data used or the
124excluded data regions.
125<p>New features are planned for EXPGUI, but EXPEDT is
126a huge program and EXPGUI will never have all the features in EXPEDT.
127I will consider suggestions for adding more functionality to EXPGUI
128if requested and the job is reasonably tractable.
129</blockquote>
130
131<p><br><B>What type of computers will EXPGUI run on?</B>
132<blockquote>EXPGUI requires a working version of
133<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
134While that is somewhat restrictive,
135it still means that EXPGUI will run on many more platforms than GSAS does.
136Most of the development has been done in LINUX with some testing on SGI
137and Windows-95 systems. I expect that EXPGUI will run on all platforms
138where GSAS does (except perhaps VMS).</blockquote>
139
140<p><br><B>Who is to blame for EXPGUI?</B>
141<blockquote>The initial version of the GUI part of EXPGUI was created by
142Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
143Toby</a> is irresponsible for the rest.</blockquote>
144
145<p><br><B>EXPGUI would be much more of use to me if....</B>
146<blockquote>Gee, you want to add some features... Great! You have all the
147EXPGUI sources and
148<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
149is free. Oh, you want me to do it. Well, please
150ask and I will try. In particular, I am looking for good ideas on
151how to design GUI's for different aspects of experiment editing,
152with an attractive, intuitive and compact layout.</blockquote>
153
154<p><br><B>Mailing List</B>
155<blockquote>If you would like to get news about EXPGUI, please send
156<a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and you will get
157information about updates and bug fixes.
158Having lots of users might also help justify this project to NIST.
159</blockquote>
160
161<p><br><B>A picture</B>
162<img SRC="2s.gif" align=top
163alt="example picture of the EXPGUI interface">
164
165<P><hr WIDTH="100%">
166<blockquote>
167<p>Neither the author nor the U.S. Government makes any warranty, expressed
168or implied, or assumes any liability or
169responsibility for the use of this information or the software described
170here. Brand names cited here are used for
171identification purposes and do not constitute an endorsement by NIST.
172</blockquote>
173<P><hr><P>
174<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
175<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
176</TH></TR></TABLE>
177
178<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
179<font size=-1><? lastmod(); ?> </font>
180<br>$Revision: 707 $ $Date: 2009-12-04 23:10:40 +0000 (Fri, 04 Dec 2009) $
181</blockquote>
182</body>
183</html>
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