source: trunk/tutorial1/nickelnotes.html @ 930

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1<html>
2<head>
3   <title>EXPGUI</title>
4</head>
5
6<style>
7A:link {text-decoration:none}
8A:vlink {text-decoration:none}
9</style>
10
11<BODY BGCOLOR="#FFFFFF"
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14
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:<br>
23Notes</H1>
24</CENTER>
25
26<a name="rawplot">
27<h3>Running RAWPLOT</H3></A>
28Below is an example of how to plot diffraction data in RAWPLOT.
29RAWPLOT is a good program for checking that data are appropriately
30formatted for GSAS. The screen input and output are shown in the
31box below. Computer output is formatted <tt>like this</tt> while
32user input is
33shown in <tt><B>bold</B></tt>. The generated plots are shown
34below the screen output.
35<TABLE border="4"><TR><TD><FONT="-1"><PRE>
36
37                   |-----------------------------------------|
38                   |      Program RAWPLOT Version Linux6     |
39                   |     Powder pattern plotting program     |
40                   | Distributed on Sat Mar 25 18:15:44 2000 |
41                   |-----------------------------------------|
42
43        |---------------------------------------------------------------|
44        |            Allen C. Larson and Robert B. Von Dreele           |
45        |      Manuel Lujan, Jr. Neutron Scattering Center, MS-H805     |
46        |      Los Alamos National Laboratory, Los Alamos, NM  87545    |
47        |                                                               |
48        | Copyright, 2000, The Regents of the University of California. |
49        |---------------------------------------------------------------|
50
51 Enter graphic screen option (&lt;?>,A,B,C) ><B>B</B>
52 Do you want to save graphics output (Y,&lt;N>)? ><B>N</B>
53 Enter raw histogram input file name (&lt;?>,$,QUIT)
54   ><B>nickel.raw</B>
55 Header on file:
56   NICKEL POWDER STANDARD, ROOM TEMP      22:32:50  9/ 8/1984
57 Is this the correct file (&lt;Y>/N/Q)? ><B>y</B>
58 Enter POWDER instrument parameter file name (&lt;?>,$,QUIT)
59   ><B>inst_tof.prm</B>
60 The raw data file is : nickel.raw
61 Enter bank number desired (&lt;0 for list) ><B>2</B>
62 Reading histogram - please wait
63 Bank  2 DIFC =    4368.97 2-theta =     88.050
64 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) >
65 RAWPLOT Commands:
66  &lt;?> - Type this help listing
67  B   - Read new bank of data
68  C   - Toggle cursor control
69  F   - Read new raw data set
70  I   - I/Io or I on Y-axis toggle
71  K c - Enter compression ratio "c"
72  L   - List plot options
73  O   - Output text file of raw data
74  P   - Plot histogram
75  R   - Refine peak profiles
76  S   - Set initial plot ranges toggle
77  T   - D-spacing or TOF/2-theta/keV on X-axis toggle
78  X   - Exit from RAWPLOT
79 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) ><B>t p</B>
80 Plot will use TOF in msec
81 Data compressed to  5119 channels by grouping  1 together
82 Give X-min and X-max for next plot
83  (default plot="0 0" & &lt;CR> for no plot) ><B>.5 2 a</B>
84 Give X-min and X-max for next plot
85  (default plot="0 0" & &lt;CR> for no plot) >
86 Enter rawplot command (&lt;?>,B,C,F,I,K,L,O,P,R,S,T,X) ><B>x</B>
87STOP RAWPLOT terminated successfully statement executed
88Press Enter to continue
89</PRE></FONT></TD>
90</TABLE>
91<BR clear=left>
92<img src="rawplot1.gif" ALIGN=LEFT>
93After the "t" and "p" commands are typed
94(t for time-of-flight/two-theta and p to plot), the entire
95range of data are plotted.
96<BR clear=left>
97<img src="rawplot2.gif" ALIGN=LEFT>
98Entering a range of TOF values, in this case 0.5 to 2.0 with
99automatic y-axis scaling (.5 2 a) displays this plot.
100<a name="reformat">
101
102<BR clear=left>
103<h3>On-the-fly reformatting</H3>
104Older versions of GSAS had fairly strict formatting requirements.
105While this is no longer the case,
106EXPGUI attempts to fix files that do not have the
107right line-lengths of line termination characters.
108When incorrectly formatted experiment (.EXP) files
109are read, no warning message is given, but the file is flagged on the
110title bar as "modified" immediately after the file is read.
111When a file is saved, it is rewritten in the
112correct format.
113<P>
114<BR clear=left>
115<img src="addhswarn.gif" ALIGN=LEFT>
116When histograms and instrument parameter files are read,
117their line-length & termination format is also
118inspected. If an error is found, an error
119message is displayed, as shown to the left.
120If OK is pressed, the original
121file is renamed and a properly formatted file is created.
122In this example file
123<tt>test.raw</tt> is renamed to
124<tt>test.raw.original</tt> 
125and a properly formatted version of
126<tt>test.raw</tt> file is created.
127
128<BR clear=left>
129<HR>
130
131</blockquote>
132<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
133<font size=-1><? lastmod(); ?> </font>
134<BR>$Revision: 930 $ $Date: 2009-12-04 23:14:35 +0000 (Fri, 04 Dec 2009) $
135</body>
136</html>
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