source: trunk/doc/expgui_intro.html @ 580

Last change on this file since 580 was 575, checked in by toby, 11 years ago

# on 2002/04/12 19:49:04, toby did:
remove identification stuff

  • Property rcs:author set to toby
  • Property rcs:date set to 2002/04/12 19:49:04
  • Property rcs:lines set to +7 -7
  • Property rcs:rev set to 1.16
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 6.5 KB
Line 
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="tutorial1/index.html">
68A TOF Tutorial Example (Nickel)</A>
69<LI>
70<A HREF="tutorial2/index.html">
71A CW Neutron Tutorial Example (Garnet)</A>
72</UL>
73Contributions of additional documents or improvements to existing
74documentation is greatly encouraged.
75</blockquote>
76
77<P><B>So what can EXPGUI do?</B>
78<blockquote>
79<dt>
80<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
81as well as the cell and atomic damping and refinement flags.</dt>
82<IMG SRC="note.gif" alt="Note!">
83Create new .EXP files, adding phases and atoms.
84<IMG SRC="new.gif" alt="New!">
85Edit/Delete/Transform atom(s).
86
87<P><dt>
88<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
89phase fractions, profile terms can all be changed.</dt>
90<IMG SRC="note.gif" alt="Note!">Add additional histograms.
91<IMG SRC="new.gif" alt="New!">Change peak profile functions.
92
93<P><dt>
94<i>Least-Squares options:</i> control the number of cycles, the print options
95and F<sub>obs</sub> extraction parameters.</dt>
96
97<BR><IMG SRC="note.gif" alt="Note!">
98Editing and creating [hard] constraints on atomic and profile parameters.
99
100<BR><IMG SRC="note.gif" alt="Note!">
101Create and edit March-Dollase preferred orientation parameters.
102
103<BR><IMG SRC="note.gif" alt="Note!">
104Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
105
106<BR><IMG SRC="note.gif" alt="Note!">
107Modify Phase flags for each histogram
108
109
110</dt>
111
112</blockquote>
113
114<p><br><B>So what can't EXPGUI do?</B>
115<blockquote>Much more than it can do. At this time, EXPGUI can't
116change atom types.
117It cannot create or edit soft constraints
118or hard constraints, other than atomic and profile constraints. It cannot be used on
119magnetic scattering parameters or on single-crystal histograms.
120It also can't be used change the range of data used or the
121excluded data regions.
122<p>New features are planned for EXPGUI, but EXPEDT is
123a huge program and EXPGUI will never have all the features in EXPEDT.
124I will consider suggestions for adding more functionality to EXPGUI
125if requested and the job is reasonably tractable.
126</blockquote>
127
128<p><br><B>What type of computers will EXPGUI run on?</B>
129<blockquote>EXPGUI requires a working version of
130<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
131While that is somewhat restrictive,
132it still means that EXPGUI will run on many more platforms than GSAS does.
133Most of the development has been done in LINUX with some testing on SGI
134and Windows-95 systems. I expect that EXPGUI will run on all platforms
135where GSAS does (except perhaps VMS).</blockquote>
136
137<p><br><B>Who is to blame for EXPGUI?</B>
138<blockquote>The initial version of the GUI part of EXPGUI was created by
139Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
140Toby</a> is irresponsible for the rest.</blockquote>
141
142<p><br><B>EXPGUI would be much more of use to me if....</B>
143<blockquote>Gee, you want to add some features... Great! You have all the
144EXPGUI sources and
145<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
146is free. Oh, you want me to do it. Well, please
147ask and I will try. In particular, I am looking for good ideas on
148how to design GUI's for different aspects of experiment editing,
149with an attractive, intuitive and compact layout.</blockquote>
150
151<p><br><B>Mailing List</B>
152<blockquote>If you would like to get news about EXPGUI, please send
153<a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and you will get
154information about updates and bug fixes.
155Having lots of users might also help justify this project to NIST.
156</blockquote>
157
158<p><br><B>A picture</B>
159<img SRC="2s.gif" align=top
160alt="example picture of the EXPGUI interface">
161
162<P><hr WIDTH="100%">
163<blockquote>
164<p>Neither the author nor the U.S. Government makes any warranty, expressed
165or implied, or assumes any liability or
166responsibility for the use of this information or the software described
167here. Brand names cited here are used for
168identification purposes and do not constitute an endorsement by NIST.
169</blockquote>
170<P><hr><P>
171<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
172<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
173</TH></TR></TABLE>
174
175<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
176<font size=-1><? lastmod(); ?> </font>
177<br>$Revision: 575 $ $Date: 2009-12-04 23:08:28 +0000 (Fri, 04 Dec 2009) $
178</blockquote>
179</body>
180</html>
Note: See TracBrowser for help on using the repository browser.