source: trunk/tutorial2/RCS/garnet4.html,v @ 932

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21@Garnet tutorial
22@
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29text
30@<html>
31<head>
32   <title>EXPGUI Tutorial #4</title>
33</head>
34
35<style>
36A:link {text-decoration:none}
37A:vlink {text-decoration:none}
38</style>
39
40<BODY BGCOLOR="#FFFFFF"
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42      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
43
44<?
45   include("/var/www/include/navigation.inc");
46   include("/var/www/include/utility.inc");
47?>
48<blockquote>
49
50<CENTER>
51<H1>EXPGUI Tutorial: Garnet (part 4)</H1>
52</CENTER>
53<H1>
544. Run POWPREF and GENLES
55</H1>
56<H3>POWPREF</H3>
57<img src="powpref2.gif" align=left>
58Before a least-squares refinement can be run, the POWPREF program
59must be run. This program assigns the reflections that are associated with
60each data point in each histogram. For this reason, POWPREF should
61be rerun if the lattice constants change, if peak widths or
62asymmetry parameters change or if you change the range of data
63that you are using in any histogram.
64<P>
65POWPREF can be run in one of three ways. It can be invoked from the
66menu item in the Powder menu (see to the left), or as a button in
67the button bar (see below) or by pressing the Alt-P key combination.
68<BR clear=left><P>
69<img src="powpref1a.gif">
70<BR>
71<P>
72<img src="powpref3a.gif">
73<BR>
74<img src="powpref4a.gif" align=left>
75Once POWPREF is started, a window is opened to watch the program
76progress, as is shown above.
77<P>
78Since POWPREF modifies the .EXP file,
79a message, as shown to the left, is displayed.
80Pressing "Load new" causes the new .EXP file to be reread.
81Pressing "Continue editing" causes EXPGUI to continue to edit the
82previous version of the .EXP file. If more changes are made, and
83the .EXP file is saved, the changes made by POWPREF will be lost.
84POWPREF makes only minor changes to the .EXP file, so there
85is little reason to reject the changes, but if a program, such
86as GENLES has made many incorrect changes to an experiment, the
87"Continue editing" option provides an easy way to keep the .EXP file
88from before the run.
89<BR clear=left>
90<P>
91<H3>GENLES</H3>
92At this point it is possible to run GENLES, to fit the initial background
93(three terms) and the scale factor (1 term).
94Similar to how POWPREF was invoked above,
95GENLES can be run from the appropriate
96button on the button bar, by typing Alt-G, or using the GENLES command
97in the Powder or Xtal menus. As soon as GENLES is started, a box appears
98on the screen showing the refinement status. (See below).
99
100<BR clear=left>
101<img src="genles2a.gif">
102
103<BR>
104<img src="powpref4a.gif" align=left>
105When GENLES is finished and the window is
106closed, press "Load new" to cause the revised .EXP
107file to be read. (Pressing "Continue editing" would
108reject the results of the refinement.)
109
110<BR clear=left>
111<P><img src="lstview1.gif">
112
113To examine the results of the refinement in more detail,
114consult the .LST file. This can be examined using the
115LSTVIEW program. This program is shown above. Note that the
116contents of the LSTVIEW box are updated as the refinement
117progresses.
118<P><BR>(.EXP Snapshot:
119<A HREF="ftp://ftp.ncnr.nist.gov/pub/cryst/gsas/tutorials/garnet4.exp">
120garnet4.exp
121</A>)
122
123<BR clear=left><HR>
124Previous step: <A HREF="garnet3.html">
125Add data (histogram) to the Experiment
126</A>
127<BR>
128Next step: <A HREF="garnet5.html">
129Plot data using POWPLOT or LIVEPLOT</A>
130
131<HR>
132</blockquote>
133<P><font size=-1><A HREF="MAILTO:crystal@@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@@NIST.gov</A></font><BR>
134<font size=-1><? lastmod(); ?> </font>
135<BR>$Revision: 1.4 $ $Date: 2002/04/12 21:21:18 $
136</body>
137</html>
138@
139
140
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142log
143@Initial revision
144@
145text
146@a2 1
147   <META NAME="Author" CONTENT="Brian H. Toby">
148a4 1
149<BODY BGCOLOR="#FFFFFF">
150d6 14
151a19 14
152<A HREF=http://www.ncnr.nist.gov>
153<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif"
154alt="Link to NIST Center for Neutron Research home page"
155ALIGN=RIGHT></A>
156<A HREF=http://www.nist.gov>
157<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif"
158alt="Link to National Institute of Standards & Technology home page"
159ALIGN=LEFT></A>
160<CENTER>
161<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
162<IMG SRC="tcltklogo100.gif"
163alt="Link to Tcl/Tk information">
164</CENTER></A>
165<hr>
166d102 5
167a106 4
168<BR clear=left>
169<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>)
170<BR clear=left>
171$Revision: 1.1 $ $Date: 2000/05/26 16:08:48 $
172@
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