Changeset 704


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Timestamp:
Dec 4, 2009 5:10:37 PM (11 years ago)
Author:
toby
Message:

# on 2003/05/22 22:05:22, toby did:
Document INSTEDIT

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1 edited

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  • trunk/doc/expgui.html

    • Property rcs:date changed from 2002/07/18 20:27:39 to 2003/05/22 22:05:22
    • Property rcs:lines changed from +6 -4 to +101 -7
    • Property rcs:rev changed from 1.27 to 1.28
    r615 r704  
    7171<TH>&nbsp;</TH>
    7272</TR>
    73 <TR><TH BGCOLOR="#F0F0F0" rowspan=2>Utilities:</TH>
     73<TR><TH BGCOLOR="#F0F0F0" rowspan=3>Utilities:</TH>
    7474<TH><A Href="liveplot.html">LIVEPLOT</A></TH>
    7575<TH><A Href="liveplot.html">BKGEDIT</A></TH>
     
    7979<TH><A Href="#WIDPLT">WIDPLT</A></TH>
    8080<TH><A Href="#ABSPLT">ABSPLT</A></TH>
     81<TH><A Href="#INSTEDIT">INSTEDIT</A></TH>
     82</TR>
     83<TR>
    8184<TH><A Href="gsas2cif.html">CIF export</A></TH>
     85<TH>&nbsp;</TH>
     86<TH>&nbsp;</TH>
    8287</TR>
    8388<TR><TH BGCOLOR="#F0F0F0">Installation Notes:</TH>
     
    268273to save screen space.
    269274<P>
    270 <img src="powpref4a.gif" align=left>
     275<img src="powpref4a.gif" align=left alt="EXPGUI Screen snapshot">
    271276Once the GSAS program has finished, if the program has modified
    272277the .EXP file,
     
    287292This file is deleted when the GSAS program completes.
    288293<P>
    289 <img src="lock.gif" align=left>
     294<img src="lock.gif" align=left alt="EXPGUI Screen snapshot">
    290295In Windows-9x, the <a Href="expgui_Win_readme.html#Winexec">Winexec</a>
    291296package is used to execute a command that creates a DOS window.
     
    463468<P>
    464469WIDPLT and ABSPLT both use the <A href="#blt">BLT</A> graphics package.
     470</DL></DL>
     471
     472<br clear=all>
     473<a name="INSTEDIT"></a>
     474<H3>D.6 INSTEDIT</H3>
     475<DL><DL>
     476
     477The INSTEDIT utility is used to edit or create an instrument parameter file.
     478At this time it can only be used to edit files for
     479constant-wavelength data. The utility can be started from the "Edit File"
     480button in the
     481<A HREF="expgui3.html#AddHist">"Add New Histogram"</A> dialog, or from the
     482the "instedit" option in the Powder menu. In the latter case, the user
     483is given the chance to select an input file. If no file is selected,
     484a new, empty, file is created. An example INSTEDIT window appears below.
     485<P>
     486<img SRC="instedit1.gif" align=RIGHT alt="EXPGUI Screen snapshot">
     487<br clear=all>
     488<P>
     489Note that an instrument parameter file is used for a single type of data,
     490as is selected by the menu button at the top of the window.
     491However, multiple sets of parameters may be included in a
     492file, to be used for example with differing operating modes for the
     493instrument. Each set of parameters is called a bank in GSAS terminology.
     494The radiobuttons on the top of the window are used to select
     495which bank's parameters will be viewed.
     496The "Add Bank" button adds an additional bank to the file.
     497<P>
     498The parameters are described briefly below, but in more depth in the
     499GSAS manual (for example, pages 158-166 for profile parameters and
     500page 221-223 for the details of the instrument parameter file.)
     501<P>
     502<H5>Bank Parameters</H5>
     503The parameters available for each bank are:
     504<DL>
     505<DT>Title<DD>This probably has no real use.
     506<DT>Instrument Name<DD>This string is used for creation of CIFs. It is
     507best if this name is unique for each instrument.
     508<DT>Primary Wavelength<DD>Note, this value is set automatically when
     509the radiation type is selected
     510<DT>Zero Correction<DD>This is the shift to be applied to 2theta
     511values in centidegrees (degrees/100). This value should probably be
     512near zero for Debye-Scherrer geometry instruments (unless known from
     513calibration) and will almost always be fixed at zero
     514for Bragg-Brentano geometry.
     515<DT>
     516</DL>
     517<I>X-ray only parameters</I>
     518<DL>
     519<DT>Radiation type<DD>Used with x-rays. The value set here
     520determines the anomolous dispersion (f' and f'' values) used.
     521<DT>Monochromatic/Dual<DD>Used with x-rays. Set to dual when Kalpha1, Kalpha2
     522radiation is present.
     523<DT>Secondary Wavelength<DD>Used in "dual" wavelength mode.
     524Note, this value is set automatically when the radiation type is selected
     525<DT>Wavelength Ratio<DD>Typically 0.5 for typical K alpha 1,2 instruments,
     526<<I>i.e.</I>when K alpha 1 is double the intensity of K alpha 2.
     527<DT>Polarization Correction<DD>There are three modes for this, where the
     528first two modes work similarly. The first mode ("Diffracted Beam")
     529is most common. The third mode ("None") is used when
     530Lorentz-polaraization corrections are applied to the data prior to its input
     531to GSAS. See page 144-145 in the GSAS manual for more information on these
     532corrections.
     533<DT>Polarization Ratio<DD>In "Diffracted Beam" mode:
     534typically 0.5 for lab instruments without monochromators and higher for
     535instruments with a diffracted beam; the value depends on the monochromator
     536take-off angle. Typically slightly below unity (0.9-0.98) for synchrotron
     537instruments. Ask the instrument scientist for the appropriate value.
     538</DL>
     539<P>
     540Each bank in the instrument parameter file has one or more sets of
     541profile parameters associated. Set number 1 is the default loaded
     542when a histogram is added. Increase the number of sets
     543using the "Add profile" button. Select the optimal profile type
     544for use with your data for this set, but for most flexibility, define
     545default values for all useful profile types (type 1 is of use only for
     546CW neutron work) and set these values from fitting a standard with
     547minimal broodening. Note that profiles can be read from a GSAS experiment
     548file using the "Import profile", which raises a dialog
     549such as the one below.
     550<P>
     551<img SRC="instedit2.gif" align=RIGHT alt="EXPGUI Screen snapshot">
     552<br clear=all>
     553
    465554
    466555</DL></DL>
     
    469558<a name="ConvertUnix"></a>
    470559<a name="ConvertWin"></a>
    471 <h3>D.6 File Conversions</h3>
     560<h3>D.7 File Conversions</h3>
    472561<DL><DL>
    473562<P>
     
    489578<br clear=all>
    490579<a name="Composition"></a>
    491 <h3>D.7 Compute Composition</h3>
     580<h3>D.8 Compute Composition</h3>
    492581<DL><DL>
    493582The composition box shows the unit cell and asymmetric unit composition
     
    498587<br clear=all>
    499588<a name="DeleteHistoryRecords"></a>
    500 <h3>D.8 Delete History Records</h3>
     589<h3>D.9 Delete History Records</h3>
    501590<DL><DL>
    502591Every time a GSAS program (including EXPGUI) is run, an entry is added to
     
    545634This routine is used to copy coordinates, unit cell parameters and space group
    546635information from other GSAS experiment (.EXP) files.
     636<DT><B>MSI .xtl format</B><DD>
     637<a HREF="#ExportMSI">see below</a>
     638<DT><B>PLATON .spf (Standard Parameter File) format</B><DD>
     639<a HREF="#ExportSPF">see below</a>
     640
    547641</DL></DL>
    548642
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