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1<html>
2<head>
3   <title>EXPGUI Tutorial Intro</title>
4</head>
5
6<style>
7A:link {text-decoration:none}
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9</style>
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11<BODY BGCOLOR="#FFFFFF"
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15<?
16   include("/var/www/include/navigation.inc");
17   include("/var/www/include/utility.inc");
18?>
19<blockquote>
20
21<CENTER>
22<H1>GSAS Nickel example using EXPGUI (Intro)</H1>
23</CENTER>
24<H1>Introduction</H1>
25
26The following pages show how to use EXPGUI to
27perform the same tutorial refinement for Nickel powder,
28presented in the
29<A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/gsas/public/gsas/manual/GSASManual.pdf">
30GSAS manual</A> (pages 18-63 in the 9/1/94 edition) but
31using EXPGUI instead of EXPEDT, as done in the manual.
32
33<P>
34<I>Note:</I> 
35<blockquote>
36while it is possible to have your working GSAS files
37(for example the .EXP file) in a separate directory from
38the raw data file(s), I discourage this practice as it then
39becomes quite difficult to later copy or move the .EXP
40file from one directory or computer to another.
41For this reason, I suggest copying the data (.RAW) files
42into the directory where you will create the Experiment
43(.EXP) file.
44<P>
45For this example, I am working in directory
46<tt>/home/toby/work</tt>, and the
47data files and parameters files are in directory
48<tt>/home/toby/gsas/example</tt>, so
49I copy the Nickel data and instrument parameter file using UNIX commands:
50<PRE>
51       cp /home/toby/gsas/example/nickel.raw   /home/toby/work/
52       cp /home/toby/gsas/example/inst_tof.prm /home/toby/work/
53</PRE>
54For Windows I would likely copy the files by dragging their icons between
55the appropriate folders.
56</blockquote>
57
58<H2>Tutorial Outline</H2>
59<OL>
60<LI><A HREF="nickel1.html">
61Create a GSAS Experiment File</A>
62<LI><A HREF="nickel2.html">
63Add a phase to the Experiment</A>
64<LI><A HREF="nickel3.html">
65Add data (histograms) to the Experiment</A>
66<LI><A HREF="nickel4.html">
67Change a profile parameter</A>
68<LI><A HREF="nickel5.html">
69Run POWPREF</A>
70<LI><A HREF="nickel6.html">
71Plot data using POWPLOT or LIVEPLOT</A>
72<LI><A HREF="nickel7.html">
73Setup for Least-Squares Refinement</A>
74<LI><A HREF="nickel8.html">
75Run GENLES</A>
76<LI><A HREF="nickel9.html">
77Additional Work</A>
78</OL>
79<UL>
80<LI>
81<A HREF="nickelnotes.html">Other notes (includes RAWPLOT example)</A>
82</UL>
83<P>
84<H2>Sample files</H2>
85Sample .EXP files have been saved at points through the tutorial. These
86are indicated in the tutorial as ".EXP snapshots". These files have been
87reformatted for DOS/Windows, but EXPGUI users will have no trouble
88using them on either platform.
89<UL>
90<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel2.exp">
91nickel2.exp</A>
92 -- After adding a phase to the Experiment
93<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel3.exp">
94nickel3.exp</A>
95-- After adding data (histograms) to the Experiment
96<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel5.exp">
97nickel5.exp</A>
98-- After running POWPREF
99<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel7.exp">
100nickel7.exp</A>
101-- After setup for Least-Squares Refinement
102</UL>
103Other sample files:
104<UL>
105<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel.raw">
106nickel.raw
107</A> -- data file
108<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/inst_tof.prm">
109inst_tof.prm
110</A> -- instrument parameter file
111</UL>
112<H2>Acknowledgements</H2>
113Many thanks to Dr. Egbert Keller of the Kristallographisches Institut of the
114Albert-Ludwigs-Universit&auml;t Freiburg
115for comments on this tutorial.
116<P>
117<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
118GSAS</A>
119is written by Allen C. Larson and <A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://lansce.lanl.gov/lujan/staff12/vondreele.htm">
120Robert B. Von Dreele</A>, MS-H805,
121Los Alamos National Laboratory, Los Alamos, NM 87545. Problems, questions
122or kudos concerning GSAS should be sent to Robert B. Von Dreele at
123<A HREF="MAILTO:vondreele@anl.gov">vondreele@anl.gov</A>
124<P>GSAS is Copyright, 1984-1997, The Regents of the University of California.
125The GSAS software was produced under a U.S. Government contract (W-7405-ENG-36)
126by the Los Alamos National Laboratory, which is operated by the University
127of California for the U.S. Department of Energy. The U.S. Government is
128licensed to use, reproduce, and distribute this software. Permission is
129granted to the public to copy and use this software without charge, provided
130that this notice and any statement of authorship are reproduced on all
131copies. Neither the Government nor the University makes any warranty, express
132or implied, or assumes any liability or responsibility for the use of this
133software.
134<P>EXPGUI is written by Brian H. Toby of the NIST Center for Neutron Research,
135<A HREF="MAILTO:Brian.Toby@NIST.GOV">Brian.Toby@NIST.GOV</A> 
136with help from Jonathan Wasserman.
137
138<P>EXPGUI is not subject to copyright. Have fun with it.
139
140<p>Neither the U.S. Government nor any author makes any warranty,
141expressed or implied, or assumes any liability or responsibility
142for the use of this information or the software described
143here. Brand names cited here are used for
144identification purposes and do not consitute an endorsement by NIST.
145
146<P>
147<HR>
148</blockquote>
149<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
150<font size=-1><? lastmod(); ?> </font>
151<BR>$Revision: 718 $ $Date: 2009-12-04 23:10:51 +0000 (Fri, 04 Dec 2009) $
152</body>
153</html>
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