source: trunk/tutorial1/nickelnotes.html @ 166

Last change on this file since 166 was 166, checked in by toby, 13 years ago

# on 2000/05/26 16:08:48, toby did:
GSAS Nickel tutorial in EXPGUI
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  • Property rcs:date set to 2000/05/26 16:08:48
  • Property rcs:rev set to 1.1
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 5.4 KB
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI</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:<br>
25Notes</H1>
26</CENTER>
27
28<a name="rawplot">
29<h3>Running RAWPLOT</H3></A>
30Below is an example of how to plot diffraction data in RAWPLOT.
31RAWPLOT is a good program for checking that data are appropriately
32formatted for GSAS. The screen input and output are shown in the
33box below. Computer output is formatted <tt>like this</tt> while
34user input is
35shown in <tt><B>bold</B></tt>. The generated plots are shown
36below the screen output.
37<TABLE border="4"><TR><TD><FONT="-1"><PRE>
38
39                   |-----------------------------------------|
40                   |      Program RAWPLOT Version Linux6     |
41                   |     Powder pattern plotting program     |
42                   | Distributed on Sat Mar 25 18:15:44 2000 |
43                   |-----------------------------------------|
44
45        |---------------------------------------------------------------|
46        |            Allen C. Larson and Robert B. Von Dreele           |
47        |      Manuel Lujan, Jr. Neutron Scattering Center, MS-H805     |
48        |      Los Alamos National Laboratory, Los Alamos, NM  87545    |
49        |                                                               |
50        | Copyright, 2000, The Regents of the University of California. |
51        |---------------------------------------------------------------|
52
53 Enter graphic screen option (&lt;?>,A,B,C) ><B>B</B>
54 Do you want to save graphics output (Y,&lt;N>)? ><B>N</B>
55 Enter raw histogram input file name (&lt;?>,$,QUIT)
56   ><B>nickel.raw</B>
57 Header on file:
58   NICKEL POWDER STANDARD, ROOM TEMP      22:32:50  9/ 8/1984
59 Is this the correct file (&lt;Y>/N/Q)? ><B>y</B>
60 Enter POWDER instrument parameter file name (&lt;?>,$,QUIT)
61   ><B>inst_tof.prm</B>
62 The raw data file is : nickel.raw
63 Enter bank number desired (&lt;0 for list) ><B>2</B>
64 Reading histogram - please wait
65 Bank  2 DIFC =    4368.97 2-theta =     88.050
66 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) >
67 RAWPLOT Commands:
68  &lt;?> - Type this help listing
69  B   - Read new bank of data
70  C   - Toggle cursor control
71  F   - Read new raw data set
72  I   - I/Io or I on Y-axis toggle
73  K c - Enter compression ratio "c"
74  L   - List plot options
75  O   - Output text file of raw data
76  P   - Plot histogram
77  R   - Refine peak profiles
78  S   - Set initial plot ranges toggle
79  T   - D-spacing or TOF/2-theta/keV on X-axis toggle
80  X   - Exit from RAWPLOT
81 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) ><B>t p</B>
82 Plot will use TOF in msec
83 Data compressed to  5119 channels by grouping  1 together
84 Give X-min and X-max for next plot
85  (default plot="0 0" & &lt;CR> for no plot) ><B>.5 2 a</B>
86 Give X-min and X-max for next plot
87  (default plot="0 0" & &lt;CR> for no plot) >
88 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) ><B>x</B>
89STOP RAWPLOT terminated successfully statement executed
90Press Enter to continue
91</PRE></FONT></TD>
92</TABLE>
93<BR clear=left>
94<img src="rawplot1.gif" ALIGN=LEFT>
95After the "t" and "p" commands are typed
96(t for time-of-flight/two-theta and p to plot), the entire
97range of data are plotted.
98<BR clear=left>
99<img src="rawplot2.gif" ALIGN=LEFT>
100Entering a range of TOF values, in this case 0.5 to 2.0 with
101automatic y-axis scaling (.5 2 a) displays this plot.
102<a name="reformat">
103
104<BR clear=left>
105<h3>On-the-fly reformatting</H3>
106GSAS has fairly strict formatting requirements. In
107UNIX experiment, raw data and instrument parameter
108files must be 80 characters to a line and may not
109have any line separators (no carriage return or
110linefeed characters). In Windows and DOS, these
111files must again be exactly 82 characters per line
112and each line must end with a carriage return and
113linefeed character. (These restrictions are being
114removed from newer versions of GSAS).
115<P>
116EXPGUI attempts to fix incorrectly formatted files
117when they are encountered. Experiment (.EXP) files
118are read (when possible) automatically. No warning
119messages are given, by this can be detected
120because the title bar will not that the file
121is "modified" immediately after the file is read.
122When a file is saved, it is rewritten in the
123correct format.
124<P>
125<BR clear=left>
126<img src="addhswarn.gif" ALIGN=LEFT>
127When histograms and instrument parameter files are read,
128their format is inspected. If an error is noted an error
129message is displayed, for example to the left.
130If OK is presses, the original
131file is renamed and a properly formatted file is created.
132In this example file
133<tt>test.raw</tt> is renamed to
134<tt>test.raw.original</tt> 
135and a properly formatted version of
136<tt>test.raw</tt> file is created.
137
138<BR clear=left>
139<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>)
140<BR clear=left>
141$Revision: 166 $ $Date: 2009-12-04 23:01:30 +0000 (Fri, 04 Dec 2009) $
142</body>
143</html>
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