source: tutorials/tutorial1/index.html

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1<html>
2<head>
3   <title>EXPGUI Tutorial Intro</title>
4</head>
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15<?
16   include("/var/www/include/navigation.inc");
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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="https://subversion.xor.aps.anl.gov/EXPGUI/gsas/all/GSAS%20Manual.pdf">
30GSAS manual</A> (pages 18-63 in the 9/1/94 edition) but
31using EXPGUI instead of EXPEDT, as done in the manual. These web
32pages were created in ~2002 and since then EXPGUI has advanced in many
33ways, so the program may behave slightly differently in places.
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="https://subversion.xor.aps.anl.gov/trac/EXPGUI">
120GSAS</A>
121is written by Allen C. Larson and
122Robert B. Von Dreele while at
123Los Alamos National Laboratory.
124or kudos concerning GSAS should be sent to Robert B. Von Dreele at
125<A HREF="MAILTO:vondreele@anl.gov">vondreele@anl.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 was oringinally written by Brian H. Toby when at
137the NIST Center for Neutron Research,
138<A HREF="MAILTO:Brian.Toby@ANL.GOV">Brian.Toby@ANL.GOV</A> 
139with help from Jonathan Wasserman.
140
141<P>EXPGUI is not subject to copyright. Have fun with it.
142
143<p>Neither the U.S. Government nor any author makes any warranty,
144expressed or implied, or assumes any liability or responsibility
145for the use of this information or the software described
146here. Brand names cited here are used for
147identification purposes and do not consitute an endorsement by NIST.
148
149<P>
150<HR>
151</blockquote>
152</body>
153</html>
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