source: trunk/doc/expgui_intro.html

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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> 
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="https://subversion.xray.aps.anl.gov/EXPGUI/tutorials/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="https://subversion.xray.aps.anl.gov/EXPGUI/tutorials/tutorial4/FapatitleExample.htm">
77A well-annotated Lab data tutorial (Fluoroapatite).</A>
78<B><I>Also a good place to start!</I></B>
79<LI>
80<A HREF="https://subversion.xray.aps.anl.gov/EXPGUI/tutorials/tutorial1/index.html">
81A TOF Tutorial Example (Nickel)</A>
82<LI>
83<A HREF="https://subversion.xray.aps.anl.gov/EXPGUI/tutorials/tutorial2/index.html">
84A CW Neutron Tutorial Example (Garnet)</A>
85</UL>
86Contributions of additional documents or improvements to existing
87documentation is greatly encouraged.
88</blockquote>
89
90<P><B>So what can EXPGUI do?</B>
91<blockquote>
92<dt>
93<i>Phase parameters</i>: EXPGUI can edit the cell and atomic parameters
94as well as the cell and atomic damping and refinement flags.</dt>
95<IMG SRC="note.gif" alt="Note!">
96Create new .EXP files, adding phases and atoms.
97<IMG SRC="new.gif" alt="New!">
98Edit/Delete/Transform atom(s).
99
100<P><dt>
101<i>Histogram parameters</i>: Scale factor, background, diffractometer constants,
102phase fractions, profile terms can all be changed.</dt>
103<IMG SRC="note.gif" alt="Note!">Add additional histograms.
104<IMG SRC="new.gif" alt="New!">Change peak profile functions.
105
106<P><dt>
107<i>Least-Squares options:</i> control the number of cycles, the print options
108and F<sub>obs</sub> extraction parameters.</dt>
109
110<BR><IMG SRC="note.gif" alt="Note!">
111Editing and creating [hard] constraints on atomic and profile parameters.
112
113<BR><IMG SRC="note.gif" alt="Note!">
114Create and edit March-Dollase preferred orientation parameters.
115
116<BR><IMG SRC="note.gif" alt="Note!">
117Create and edit Generalized Spherical Harmonic (ODF) preferred orientation parameters.
118
119<BR><IMG SRC="note.gif" alt="Note!">
120Modify Phase flags for each histogram
121<BR><IMG SRC="new.gif" alt="New!">   
122Edit excluded data regions and the range of data used in the fit.
123
124</dt>
125
126</blockquote>
127
128<p><br><B>So what can't EXPGUI do?</B>
129<blockquote>Much more than it can do. At this time, EXPGUI can't
130change atom types.
131It cannot create or edit soft constraints
132or many types of hard constraints (other than atomic and profile constraints).
133It cannot be used on
134magnetic scattering parameters or on single-crystal histograms.
135It does do most of the things that commonly used in Rietveld.
136<p>New features are planned for EXPGUI, but this depends on my
137available free time. It should be noted that the GSAS EXPEDT program is
138huge, so EXPGUI will never have all the features in EXPEDT.
139I am glad to get suggestions for adding more functionality to EXPGUI
140(see the
141<A HREF="wishlist.html">"wish list"</A>). Coming up with
142ideas for intuitive GUI additions
143is often half the battle.
144</blockquote>
145
146<p><br><B>What type of computers will EXPGUI run on?</B>
147<blockquote>EXPGUI requires a working version of
148<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">Tcl/Tk</A>, scripting language.
149While that is somewhat restrictive,
150it still means that EXPGUI will run on many more platforms than GSAS does.
151Most of the development has been done in LINUX with some testing on SGI. It
152also runs in Windows (-95 through -XP & -2003?) and in Mac OS X.
153I expect that EXPGUI will run on all platforms
154where GSAS does (except perhaps VMS).</blockquote>
155
156<p><br><B>Where do I get EXPGUI?</B>
157<blockquote>See the
158<A HREF="../downloads.html">
159download links</A> web page or better yet read the installation instructions
160for <A HREF="expgui_Win_readme.html">
161Windows</A>,
162<A HREF="expgui_Unix_readme.html">
163UNIX</A>, or
164<A HREF="osx.html">
165Mac OS X</A>.
166</blockquote>
167
168<p><br><B>Who is to blame for EXPGUI?</B>
169<blockquote>The initial version of the GUI part of EXPGUI was created by
170Jonathan Wasserman (thanks Jon!) Brian
171Toby</a> is irresponsible for the rest.</blockquote>
172
173<p><br><B>EXPGUI would be much more of use to me if....</B>
174<blockquote>Gee, you want to add some features... Great! You have all the
175EXPGUI sources and
176Tcl/Tk is free. Oh, you want me to do it. Well, please
177ask and I will try. In particular, I am looking for good ideas on
178how to design GUI's for different aspects of experiment editing,
179with an attractive, intuitive and compact layout.</blockquote>
180
181<p><br><B>Mailing List</B>
182<blockquote>If you would like to get news about EXPGUI, please
183<a href="http://www.aps.anl.gov/mailman/listinfo/expgui">see this
184link</a>.
185The mailing list is used only to provide
186information about updates and bug fixes.
187</blockquote>
188
189<p><br><B>A picture</B>
190<img SRC="2s.gif" align=top
191alt="example picture of the EXPGUI interface">
192
193<P><hr WIDTH="100%">
194<blockquote>
195<p>Neither the author nor the U.S. Government makes any warranty, expressed
196or implied, or assumes any liability or
197responsibility for the use of this information or the software described
198here. Brand names cited here are used for
199identification purposes and do not constitute an endorsement by NIST.
200</blockquote>
201<P><hr><P>
202<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
203<TR><TH><A  Href="expgui.html">EXPGUI home</A> 
204</TH></TR></TABLE>
205
206<P>
207<font size=-1><? lastmod(); ?> </font>
208<br>$Revision: 1225 $ $Date: 2012-11-08 19:42:25 +0000 (Thu, 08 Nov 2012) $
209</blockquote>
210</body>
211</html>
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