source: trunk/doc/expgui3.html @ 507

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# on 2001/12/19 18:55:42, toby did:
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI</title>
5   <meta name="keywords" content="crystallography, Rietveld, diffraction,
6   GSAS, EXPGUI">
7</HEAD>
8<style>
9A:link {text-decoration:none}
10A:vlink {text-decoration:none}
11</style>
12
13<BODY BGCOLOR="#FFFFFF"
14      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
15      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
16
17<?
18   include("/var/www/include/navigation.inc");
19   include("/var/www/include/utility.inc");
20?>
21<blockquote><font face="arial, helvetica, sans-serif">
22
23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
24<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
25</TH><TH><A Href="expgui4.html">Next page</A>
26</TH><TH><A Href="expgui2.html">Previous page</A>
27</TH></TR></TABLE><BR CLEAR=ALL>
28
29<center><h1>
30<HR noshade width="75%" size="2" align="center">
31EXPGUI, part 3
32<HR noshade width="75%" size="2" align="center">
33</h1></center>
34<h3>A.3 Histogram pane</h3> 
35<DL><DL>
36The histogram pane is used to edit background
37and diffractometer constants for a histogram, as well as
38set damping and refinement flags for these parameters.
39<P>
40If
41<A href="expgui.html#multiplehistogram">
42"Multiple Histogram Selection" mode</A> is set to "All",
43this pane is disabled. For other settings of this mode,
44groups of histograms can be selected and modified
45collectively.
46<P>
47If the EXPTOOL program
48<A href="expgui.html#installation">(see the installation instructions)</A>
49is installed, a button for adding histograms will
50appear on the bottom right on this pane, as seen below. If the
51program is not properly installed, no errors occur, but the button
52does not appear.
53<P>
54Note that the order that histograms appear in this
55pane is determined by the <a href="expguic.html#sorthist">"Sort histograms by"</a> option in
56the Options Menu.
57</DL></DL>
58<img SRC="3.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
59<P>
60<DL><DL>
61If there is more than one phase present in the refinement,
62an extra box appears at the top of the pane to allow phase flags
63to be selected. This allows a phase to be used in some histograms
64but not in others. It also offers a simple way to effectively "delete" a
65phase by removing it from all histograms. Be sure to rerun POWPREF after
66changing the phase flags.
67</DL></DL>
68<img SRC="3a.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
69<br clear=all>
70<P>
71<DL><DL>
72The pane appears slightly differently when
73<A href="expgui.html#multiplehistogram">
74"Multiple Histogram Selection" mode</A> is set to a single histogram type.
75In this case diffractometer constants are edited in separate windows (see
76<a href="#EditParm">Global Editing of Parameters</a>, below).
77<P>
78</DL></DL>
79<img SRC="3c.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
80<br clear=all>
81
82<a name="EditBackground"></a>
83<h3>A.3.1 Editing background</h3> 
84<DL><DL>
85<img SRC="3b1.gif" align=TEXTOP alt="EXPGUI Screen snapshot">
86When the button labeled "Edit Background", (or "Globally Edit Background"
87or in the case where <A href="expgui.html#multiplehistogram">
88"Multiple Histogram Selection" mode</A> is set to a single histogram type)
89is pressed, a window such as the one
90to the left is displayed. In the case where background coefficients
91are being edited for more than one histogram
92(<A href="expgui.html#multiplehistogram">
93"Multiple Histogram Selection" mode</A> must be
94set to a single histogram type) the entry boxes will appear blank
95and only those terms that are filled in will be changed when the "Set"
96button is pressed.
97This option is mostly useful when changing the background function or the
98number of terms for several histograms at a single time.
99Note that no changes are made until the "Set"
100button is pressed.
101<P>
102<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
103The "Fit Background Graphically" button is displayed only when a single
104histogram is selected for background editing. When this button is
105pressed, the <A HREF="liveplot.html#bkgedit">BKGEDIT</A> program is
106called to fit a background function to user-input fixed background points.
107See the <A HREF="liveplot.html#bkgedit">BKGEDIT documentation</A> for more
108information.
109
110<br clear=all>
111</DL></DL>
112
113<a name="EditParm"></a>
114<h3>A.3.2 Global Editing of Parameters</h3> 
115<DL><DL>
116<img SRC="3d.gif" align=LEFT alt="EXPGUI Screen snapshot">
117The dialog to the left shows how
118a diffractometer constant can be
119edited for more than one histogram
120(<A href="expgui.html#multiplehistogram">
121"Multiple Histogram Selection" mode</A> must be
122set to a single histogram type).
123This menu is also used to globally set the
124<A href="expgui4.html">Phase Fraction</A>.
125<br clear=all>
126
127</DL></DL>
128
129<a name="AddHist"></a>
130<h3>A.3.3 Entering New Diffractograms</h3> 
131<DL><DL>
132<img SRC="3e.gif" align=RIGHT alt="EXPGUI Screen snapshot">
133Pressing the "Add New Histogram" button creates the dialog
134to the left. This can be used to select diffraction data to be used
135in the refinement, or if the "dummy histogram" boxed is selected,
136a set of diffraction data can be simulated.
137<P>
138In the case where diffraction data will be input,
139a data file and an instrument parameter file must be
140selected using the "Select File" buttons. The limit for reflection
141generation (maximum energy or two-theta, or minimum d-space or TOF)
142must be entered, as well as the units.
143If more than one bank is defined, either in the data file or in the
144instrument parameter file, the bank must be selected as well.
145Note that the data range can be edited at a later time using the
146<a href="excledt.html">EXCLEDT</a> utility.
147<P>
148To view a plot of a data file, so that the range of the data
149may be viewed, the RAWPLOT program may be invoked using the "Run RAWPLOT"
150button. Note that EXPGUI cannot communicate the names
151of the data and instrument parameter files to RAWPLOT, so they must be
152reentered.
153<P>
154<br clear=all>
155<img SRC="3e1.gif" align=RIGHT alt="EXPGUI Screen snapshot">
156When the dummy histogram option is selected, diffraction data can
157be simulated based a set of experimental constants
158described in an instrument parameter file.
159Note that most of these instrumental parameters,
160such as wavelength or DIFC can be edited on this pane or
161on the <A HREF="expgui5.html">profile</A> pane
162(the simulated pattern is also affected by constants on the
163<A HREF="expgui4.html">scaling</A> pane.)
164The 2-theta/energy/TOF
165range to be used for the computation, as well as the step size,
166must be entered before pressing the "Add" button.
167Note that once the histogram is added, this range and step size
168cannot be edited within EXPGUI at present. However,
169EXPEDT can be used to change these values.
170<br clear=all>
171<P>
172<a name="AddHistErr"></a>
173<img SRC="3e2.gif" align=LEFT alt="EXPGUI Screen snapshot">
174If errors are detected in the input, an error message is displayed
175detailing where the errors are found. Otherwise, the EXPTOOL program is run
176and the output is optionally displayed
177(See <a href="expguic.html#exptoolout">Show EXPTOOL output</a>).
178</DL></DL>
179<br clear=all>
180<P>
181<h3>A.3.4 Editing the Data Range & Excluded Regions</h3> 
182<DL><DL>
183The button at the bottom of the pane, labeled
184"Set Data Limits & Excluded Regions" invokes
185the <a href="excledt.html">EXCLEDT</a> utility, which is used to
186modify the lower and upper data limits and can be used to add or delete
187excluded regions.
188</DL></DL>
189
190<h3>A.3.5 Setting Histogram Flags</h3> 
191<DL><DL>
192<img SRC="3f.gif" align=RIGHT alt="EXPGUI Screen snapshot">
193The button at the bottom of the pane, labeled "Set Histogram Use Flags" invokes
194a menu where the "Use"/"Do not use" flag for powder histogram can be set.
195When this flag is turned off, the histogram is ignored for
196subsequent computations, effectively removing from the experiment.
197<P>
198When these "Use" flags are changed, it is necessary to run POWPREF,
199to propogate the changes. After the "Save" button is pressed, a prompt such
200as the example below, is generated to run POWPREF. Note that GENLES may
201fail if POWPREF is not run after changing these flags.
202<br clear=all>
203<P>
204<img SRC="3g.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
205<br clear=all>
206</DL></DL>
207<hr>
208<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
209<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
210</TH><TH><A Href="expgui4.html">Next page</A>
211</TH><TH><A Href="expgui2.html">Previous page</A>
212</TH></TR></TABLE>
213
214<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
215<br>
216$Revision: 507 $ $Date: 2009-12-04 23:07:19 +0000 (Fri, 04 Dec 2009) $
217</blockquote>
218</body>
219</html>
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