source: trunk/tutorial1/index.html @ 204

Last change on this file since 204 was 204, checked in by toby, 14 years ago

# on 2000/06/09 03:57:42, toby did:
incorporate many useful comments by Egbert Keller
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  • Property rcs:date set to 2000/06/09 03:57:42
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File size: 5.7 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI Tutorial Intro</title>
5</head>
6<BODY BGCOLOR="#FFFFFF">
7
8<A HREF=http://www.ncnr.nist.gov>
9<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" 
10alt="Link to NIST Center for Neutron Research home page"
11ALIGN=RIGHT></A>
12<A HREF=http://www.nist.gov>
13<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" 
14alt="Link to National Institute of Standards & Technology home page"
15ALIGN=LEFT></A>
16<CENTER>
17<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
18<IMG SRC="tcltklogo100.gif" 
19alt="Link to Tcl/Tk information">
20</CENTER></A>
21<hr>
22
23<CENTER>
24<H1>GSAS Nickel example using EXPGUI (Intro)</H1>
25</CENTER>
26<H1>Introduction</H1>
27
28The following pages show how to use EXPGUI to
29perform the same tutorial refinement for Nickel powder,
30presented in the
31<A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=ftp://ftp.lanl.gov/public/gsas/manual/manual.pdf">
32GSAS manual</A> (pages 18-63 in the 9/1/94 edition) but
33using EXPGUI instead of EXPEDT, as done in the manual.
34
35<P>
36<I>Note:</I> 
37<blockquote>
38while it is possible to have your working GSAS files
39(for example the .EXP file) in a separate directory from
40the raw data file(s), I discourage this practice as it then
41becomes quite difficult to later copy or move the .EXP
42file from one directory or computer to another.
43For this reason, I suggest copying the data (.RAW) files
44into the directory where you will create the Experiment
45(.EXP) file.
46<P>
47For this example, I am working in directory
48<tt>/home/toby/work</tt>, and the
49data files and parameters files are in directory
50<tt>/home/toby/gsas/example</tt>, so
51I copy the Nickel data and instrument parameter file using UNIX commands:
52<PRE>
53       cp /home/toby/gsas/example/nickel.raw   /home/toby/work/
54       cp /home/toby/gsas/example/inst_tof.prm /home/toby/work/
55</PRE>
56For Windows I would likely copy the files by dragging their icons between
57the appropriate folders.
58</blockquote>
59
60<H2>Tutorial Outline</H2>
61<OL>
62<LI><A HREF="nickel1.html">
63Create a GSAS Experiment File</A>
64<LI><A HREF="nickel2.html">
65Add a phase to the Experiment</A>
66<LI><A HREF="nickel3.html">
67Add data (histograms) to the Experiment</A>
68<LI><A HREF="nickel4.html">
69Change a profile parameter</A>
70<LI><A HREF="nickel5.html">
71Run POWPREF</A>
72<LI><A HREF="nickel6.html">
73Plot data using POWPLOT or LIVEPLOT</A>
74<LI><A HREF="nickel7.html">
75Setup for Least-Squares Refinement</A>
76<LI><A HREF="nickel8.html">
77Run GENLES</A>
78<LI><A HREF="nickel9.html">
79Additional Work</A>
80</OL>
81<UL>
82<LI>
83<A HREF="nickelnotes.html">Other notes (includes RAWPLOT example)</A>
84</UL>
85<P>
86<H2>Sample files</H2>
87Sample .EXP files have been saved at points through the tutorial. These
88are indicated in the tutorial as ".EXP snapshots". These files have been
89reformatted for DOS/Windows, but EXPGUI users will have no trouble
90using them on either platform.
91<UL>
92<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel2.exp">
93nickel2.exp</A>
94 -- After adding a phase to the Experiment
95<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel3.exp">
96nickel3.exp</A>
97-- After adding data (histograms) to the Experiment
98<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel5.exp">
99nickel5.exp</A>
100-- After running POWPREF
101<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel7.exp">
102nickel7.exp</A>
103-- After setup for Least-Squares Refinement
104</UL>
105Other sample files:
106<UL>
107<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/nickel.raw">
108nickel.raw
109</A> -- data file
110<LI><A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/inst_tof.prm">
111inst_tof.prm
112</A> -- instrument parameter file
113</UL>
114<H2>Acknowledgements</H2>
115Many thanks to Dr. Egbert Keller of the Kristallographisches Institut of the
116Albert-Ludwigs-Universit&auml;t Freiburg
117for comments on this tutorial.
118<P>
119<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html">
120GSAS</A>
121is 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">
122Robert B. Von Dreele</A>, MS-H805,
123Los Alamos National Laboratory, Los Alamos, NM 87545. Problems, questions
124or kudos concerning GSAS should be sent to Robert B. Von Dreele at
125<A HREF="MAILTO:vondreele@lanl.gov">vondreele@lanl.gov</A>
126<P>GSAS is Copyright, 1984-1997, The Regents of the University of California.
127The GSAS software was produced under a U.S. Government contract (W-7405-ENG-36)
128by the Los Alamos National Laboratory, which is operated by the University
129of California for the U.S. Department of Energy. The U.S. Government is
130licensed to use, reproduce, and distribute this software. Permission is
131granted to the public to copy and use this software without charge, provided
132that this notice and any statement of authorship are reproduced on all
133copies. Neither the Government nor the University makes any warranty, express
134or implied, or assumes any liability or responsibility for the use of this
135software.
136<P>EXPGUI is written by Brian H. Toby of the NIST Center for Neutron Research,
137<A HREF="MAILTO:Brian.Toby@NIST.GOV">Brian.Toby@NIST.GOV</A> 
138with help from Jonathan Wasserman.
139
140<P>EXPGUI is not subject to copyright. Have fun with it.
141
142<p>Neither the U.S. Government nor any author makes any warranty,
143expressed or implied, or assumes any liability or responsibility
144for the use of this information or the software described
145here. Brand names cited here are used for
146identification purposes and do not consitute an endorsement by NIST.
147
148<P>
149<HR><p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
150<BR clear=left>
151$Revision: 204 $ $Date: 2009-12-04 23:02:08 +0000 (Fri, 04 Dec 2009) $
152</body>
153</html>
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