source: trunk/doc/expgui3.html @ 475

Last change on this file since 475 was 444, checked in by toby, 12 years ago

# on 2001/09/25 23:21:11, toby did:
dummy histogram support
Setting Histogram Flags

  • Property rcs:author set to toby
  • Property rcs:date set to 2001/09/25 23:21:11
  • Property rcs:lines set to +60 -13
  • Property rcs:rev set to 1.9
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 8.3 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<br clear=all><hr>
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>
30EXPGUI, part 3
31</h1></center>
32<h3>A.3 Histogram pane</h3> 
33<DL><DL>
34The histogram pane is used to edit background
35and diffractometer constants for a histogram, as well as
36set damping and refinement flags for these parameters.
37<P>
38If
39<A href="expgui.html#multiplehistogram">
40"Multiple Histogram Selection" mode</A> is set to "All",
41this pane is disabled. For other settings of this mode,
42groups of histograms can be selected and modified
43collectively.
44<P>
45If the EXPTOOL program
46<A href="expgui.html#installation">(see the installation instructions)</A>
47is installed, a button for adding histograms will
48appear on the bottom right on this pane, as seen below. If the
49program is not properly installed, no errors occur, but the button
50does not appear.
51<P>
52Note that the order that histograms appear in this
53pane is determined by the <a href="expguic.html#sorthist">"Sort histograms by"</a> option in
54the Options Menu.
55</DL></DL>
56<img SRC="3.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
57<P>
58<DL><DL>
59If there is more than one phase present in the refinement,
60an extra box appears at the top of the pane to allow phase flags
61to be selected. This allows a phase to be used in some histograms
62but not in others. It also offers a simple way to effectively "delete" a
63phase by removing it from all histograms. Be sure to rerun POWPREF after
64changing the phase flags.
65</DL></DL>
66<img SRC="3a.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
67<br clear=all>
68<P>
69<DL><DL>
70The pane appears slightly differently when
71<A href="expgui.html#multiplehistogram">
72"Multiple Histogram Selection" mode</A> is set to a single histogram type.
73In this case diffractometer constants are edited in separate windows (see
74<a href="#EditParm">Global Editing of Parameters</a>, below).
75<P>
76</DL></DL>
77<img SRC="3c.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
78<br clear=all>
79
80<a name="EditBackground"></a>
81<h3>A.3.1 Editing background</h3> 
82<DL><DL>
83<img SRC="3b1.gif" align=TEXTOP alt="EXPGUI Screen snapshot">
84When the button labeled "Edit Background", (or "Globally Edit Background"
85or in the case where <A href="expgui.html#multiplehistogram">
86"Multiple Histogram Selection" mode</A> is set to a single histogram type)
87is pressed, a window such as the one
88to the left is displayed. In the case where background coefficients
89are being edited for more than one histogram
90(<A href="expgui.html#multiplehistogram">
91"Multiple Histogram Selection" mode</A> must be
92set to a single histogram type) the entry boxes will appear blank
93and only those terms that are filled in will be changed when the "Set"
94button is pressed.
95This option is mostly useful when changing the background function or the
96number of terms for several histograms at a single time.
97Note that no changes are made until the "Set"
98button is pressed.
99<P>
100<IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">
101The "Fit Background Graphically" button is displayed only when a single
102histogram is selected for background editing. When this button is
103pressed, the <A HREF="liveplot.html#bkgedit">BKGEDIT</A> program is
104called to fit a background function to user-input fixed background points.
105See the <A HREF="liveplot.html#bkgedit">BKGEDIT documentation</A> for more
106information.
107
108<br clear=all>
109</DL></DL>
110
111<a name="EditParm"></a>
112<h3>A.3.2 Global Editing of Parameters</h3> 
113<DL><DL>
114<img SRC="3d.gif" align=LEFT alt="EXPGUI Screen snapshot">
115The dialog to the left shows how
116a diffractometer constant can be
117edited for more than one histogram
118(<A href="expgui.html#multiplehistogram">
119"Multiple Histogram Selection" mode</A> must be
120set to a single histogram type).
121This menu is also used to globally set the
122<A href="expgui4.html">Phase Fraction</A>.
123<br clear=all>
124
125</DL></DL>
126
127<a name="AddHist"></a>
128<h3>A.3.3 Entering New Diffractograms</h3> 
129<DL><DL>
130<img SRC="3e.gif" align=RIGHT alt="EXPGUI Screen snapshot">
131Pressing the "Add New Histogram" button creates the dialog
132to the left. This can be used to select diffraction data to be used
133in the refinement, or if the "dummy histogram" boxed is selected,
134a set of diffraction data can be simulated.
135<P>
136In the case where diffraction data will be input,
137a data file and an instrument parameter file must be
138selected using the "Select File" buttons. The limit for reflection
139generation (maximum energy or two-theta, or minimum d-space or TOF)
140must be entered, as well as the units.
141If more than one bank is defined, either in the data file or in the
142instrument parameter file, the bank must be selected as well.
143Note that the data range can be edited at a later time using the
144<a href="excledt.html">EXCLEDT</a> utility.
145<P>
146To view a plot of a data file, so that the range of the data
147may be viewed, the RAWPLOT program may be invoked using the "Run RAWPLOT"
148button. Note that EXPGUI cannot communicate the names
149of the data and instrument parameter files to RAWPLOT, so they must be
150reentered.
151<P>
152<br clear=all>
153<img SRC="3e1.gif" align=RIGHT alt="EXPGUI Screen snapshot">
154When the dummy histogram option is selected, diffraction data can
155be simulated based a set of experimental constants
156described in an instrument parameter file.
157Note that most of these instrumental parameters,
158such as wavelength or DIFC can be edited on this pane or
159on the <A HREF="expgui5.html">profile</A> pane
160(the simulated pattern is also affected by constants on the
161<A HREF="expgui4.html">scaling</A> pane.)
162The 2-theta/energy/TOF
163range to be used for the computation, as well as the step size,
164must be entered before pressing the "Add" button.
165Note that once the histogram is added, this range and step size
166cannot be edited within EXPGUI at present. However,
167EXPEDT can be used to change these values.
168<br clear=all>
169<P>
170<a name="AddHistErr"></a>
171<img SRC="3e2.gif" align=LEFT alt="EXPGUI Screen snapshot">
172If errors are detected in the input, an error message is displayed
173detailing where the errors are found. Otherwise, the EXPTOOL program is run
174and the output is optionally displayed
175(See <a href="expguic.html#exptoolout">Show EXPTOOL output</a>).
176</DL></DL>
177<br clear=all>
178<P>
179<h3>A.3.4 Editing the Data Range & Excluded Regions</h3> 
180<DL><DL>
181The button at the bottom of the pane, labeled
182"Set Data Limits & Excluded Regions" invokes
183the <a href="excledt.html">EXCLEDT</a> utility, which is used to
184modify the lower and upper data limits and can be used to add or delete
185excluded regions.
186</DL></DL>
187
188<h3>A.3.5 Setting Histogram Flags</h3> 
189<DL><DL>
190<img SRC="3f.gif" align=RIGHT alt="EXPGUI Screen snapshot">
191The button at the bottom of the pane, labeled "Set Histogram Use Flags" invokes
192a menu where the "Use"/"Do not use" flag for powder histogram can be set.
193When this flag is turned off, the histogram is ignored for
194subsequent computations, effectively removing from the experiment.
195<P>
196When these "Use" flags are changed, it is necessary to run POWPREF,
197to propogate the changes. After the "Save" button is pressed, a prompt such
198as the example below, is generated to run POWPREF. Note that GENLES may
199fail if POWPREF is not run after changing these flags.
200<br clear=all>
201<P>
202<img SRC="3g.gif" align=TEXTTOP alt="EXPGUI Screen snapshot">
203<br clear=all>
204</DL></DL>
205<hr>
206<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
207<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
208</TH><TH><A Href="expgui4.html">Next page</A>
209</TH><TH><A Href="expgui2.html">Previous page</A>
210</TH></TR></TABLE>
211
212<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
213<br>
214$Revision: 444 $ $Date: 2009-12-04 23:06:16 +0000 (Fri, 04 Dec 2009) $
215</body>
216</html>
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