source: trunk/doc/expgui_intro.html @ 565

Last change on this file since 565 was 513, checked in by toby, 12 years ago

# on 2001/12/19 18:55:42, toby did:
reformat to match NCNR style

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  • Property rcs:date set to 2001/12/19 18:55:42
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  • Property rcs:rev set to 1.15
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File size: 6.5 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>Intro to EXPGUI</title>
5   <meta name="keywords" content="crystallography, Rietveld, diffraction,
6   GSAS, EXPGUI">
7</HEAD>
8<style>
9A:link {text-decoration:none}
10A:vlink {text-decoration:none}
11</style>
12
13<BODY BGCOLOR="#FFFFFF"
14      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
15      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
16
17<?
18   include("/var/www/include/navigation.inc");
19   include("/var/www/include/utility.inc");
20?>
21<blockquote><font face="arial, helvetica, sans-serif">
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
25</TH></TR></TABLE><BR CLEAR=ALL>
26
27<center>
28<h1>
29<HR noshade width="75%" size="2" align="center">
30Intro to EXPGUI
31<HR noshade width="75%" size="2" align="center">
32</h1></center>
33<P>
34<B>What is EXPGUI?</B><P>
35<blockquote>
36EXPGUI is a graphical user interface (GUI) editor for
37<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
38GSAS</A>
39experiment (.EXP) files and shell which allows all the other GSAS programs
40to be executed with a GUI.
41EXPGUI is not a replacement for the GSAS program EXPEDT.
42EXPGUI can do at best 10% of what
43EXPEDT can do -- but that 10% covers most of the
44actions that I use frequently (and that I could code without a major effort).
45EXPGUI is written in the
46<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A> scripting language, so it is largely platform independent.
47</blockquote>
48
49<p><br><B>Is there documentation?</B>
50<blockquote>Some. There is:
51<UL>
52<LI>
53<A HREF="http://www.ncnr.nist.gov/xtal/software/EXPGUI_reprint.pdf">
54A 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)
55<LI>
56<A HREF="expgui.html">
57A User's Guide</A> (~10 web pages) complete with lots of screen images
58<LI>
59<A HREF="expgui_Win_readme.html">
60Installation notes for Windows</A>
61<LI>
62<A HREF="expgui_Unix_readme.html">
63Installation notes for UNIX</A>
64<LI>
65<A HREF="expgui_cfg.html">
66Customization notes</A>
67<LI>
68<A HREF="tutorial1/index.html">
69A TOF Tutorial Example (Nickel)</A>
70<LI>
71<A HREF="tutorial2/index.html">
72A CW Neutron Tutorial Example (Garnet)</A>
73</UL>
74Contributions of additional documents or improvements to existing
75documentation is greatly encouraged.
76</blockquote>
77
78<P><B>So what can EXPGUI do?</B>
79<blockquote>
80<dt>
81<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
82as well as the cell and atomic damping and refinement flags.</dt>
83<IMG SRC="note.gif" alt="Note!">
84Create new .EXP files, adding phases and atoms.
85<IMG SRC="new.gif" alt="New!">
86Edit/Delete/Transform atom(s).
87
88<P><dt>
89<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
90phase fractions, profile terms can all be changed.</dt>
91<IMG SRC="note.gif" alt="Note!">Add additional histograms.
92<IMG SRC="new.gif" alt="New!">Change peak profile functions.
93
94<P><dt>
95<i>Least-Squares options:</i> control the number of cycles, the print options
96and F<sub>obs</sub> extraction parameters.</dt>
97
98<BR><IMG SRC="note.gif" alt="Note!">
99Editing and creating [hard] constraints on atomic and profile parameters.
100
101<BR><IMG SRC="note.gif" alt="Note!">
102Create and edit March-Dollase preferred orientation parameters.
103
104<BR><IMG SRC="note.gif" alt="Note!">
105Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
106
107<BR><IMG SRC="note.gif" alt="Note!">
108Modify Phase flags for each histogram
109
110
111</dt>
112
113</blockquote>
114
115<p><br><B>So what can't EXPGUI do?</B>
116<blockquote>Much more than it can do. At this time, EXPGUI can't
117change atom types.
118It cannot create or edit soft constraints
119or hard constraints, other than atomic and profile constraints. It cannot be used on
120magnetic scattering parameters or on single-crystal histograms.
121It also can't be used change the range of data used or the
122excluded data regions.
123<p>New features are planned for EXPGUI, but EXPEDT is
124a huge program and EXPGUI will never have all the features in EXPEDT.
125I will consider suggestions for adding more functionality to EXPGUI
126if requested and the job is reasonably tractable.
127</blockquote>
128
129<p><br><B>What type of computers will EXPGUI run on?</B>
130<blockquote>EXPGUI requires a working version of
131<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
132While that is somewhat restrictive,
133it still means that EXPGUI will run on many more platforms than GSAS does.
134Most of the development has been done in LINUX with some testing on SGI
135and Windows-95 systems. I expect that EXPGUI will run on all platforms
136where GSAS does (except perhaps VMS).</blockquote>
137
138<p><br><B>Who is to blame for EXPGUI?</B>
139<blockquote>The initial version of the GUI part of EXPGUI was created by
140Jonathan Wasserman (thanks Jon!) <a href="http://www.ncnr.nist.gov/staff/toby/">Brian
141Toby</a> is irresponsible for the rest.</blockquote>
142
143<p><br><B>EXPGUI would be much more of use to me if....</B>
144<blockquote>Gee, you want to add some features... Great! You have all the
145EXPGUI sources and
146<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>
147is free. Oh, you want me to do it. Well, please
148ask and I will try. In particular, I am looking for good ideas on
149how to design GUI's for different aspects of experiment editing,
150with an attractive, intuitive and compact layout.</blockquote>
151
152<p><br><B>Mailing List</B>
153<blockquote>If you would like to get news about EXPGUI, please send
154<a href="mailto:brian.toby@nist.gov?subject=EXPGUI Mailing List">Brian.Toby@NIST.GOV</a> e-mail and I
155will send you information about updates and bug fixes.
156Having lots of users might also help me justify this project to my
157employers.
158</blockquote>
159
160<p><br><B>A picture</B>
161<img SRC="2s.gif" align=top
162alt="example picture of the EXPGUI interface">
163
164<P><hr WIDTH="100%">
165<blockquote>
166<p>Neither the author nor the U.S. Government makes any warranty, expressed
167or implied, or assumes any liability or
168responsibility for the use of this information or the software described
169here. Brand names cited here are used for
170identification purposes and do not constitute an endorsement by NIST.
171</blockquote>
172<P><hr><P>
173<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
174<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
175</TH></TR></TABLE>
176<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
177<br>$Revision: 513 $ $Date: 2009-12-04 23:07:25 +0000 (Fri, 04 Dec 2009) $
178</blockquote>
179</body>
180</html>
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