Changeset 329

Dec 4, 2009 5:04:14 PM (14 years ago)

# on 2000/10/18 00:11:17, toby did:
add more utilities docs
fixup formatting

1 edited


  • trunk/doc/expgui.html

    • Property rcs:date changed from 2000/10/03 23:27:17 to 2000/10/18 00:11:17
    • Property rcs:lines changed from +41 -13 to +94 -17
    • Property rcs:rev changed from 1.14 to 1.15
    r291 r329  
    1919alt="Link to Tcl/Tk information">
    21 <hr>
     21<br clear=all><hr>
    4747contents of the menus. Other documents about EXPGUI are:
    4848<a name="installation"></A>
    49 <A HREF="expgui_Win_readme.html">
    50 Installation notes for Windows</A>,
    51 <A HREF="expgui_Unix_readme.html">
    52 Installation notes for UNIX</A>,
     49Installation notes for
     50<A HREF="expgui_Win_readme.html">Windows</A>,
     51and for
     52<A HREF="expgui_Unix_readme.html">UNIX</A>,
    5353<A HREF="expgui_cfg.html">
    54 Customization notes</A> and two example tutorials: for
     54Customization notes</A>, a list of <A HREF="expguierr.html">warning, error and informational messages</A>
     55and two example tutorials: for
    5556<A HREF="tutorial1/index.html">
    253254<h2>D. EXPGUI Utility Programs</h2></a>
    254 <DL><DL>
    255 <P><B>LSTVIEW</B>
    257 <P>lstview is used to browse through the GSAS output listing. It is
     256<br clear=all>
     260lstview is used to browse through the GSAS output listing. It is
    258261invoked by the "lstview" command in the GUI.
    259262<CENTER><IMG SRC="textview.gif" alt="EXPGUI Screen snapshot"></CENTER>
    262 <P><B>LIVEPLOT</B>
    264 <P>liveplot shows the observed, calculated and difference plots for powder
     265<br clear=all>
     268liveplot shows the observed, calculated and difference plots for powder
    265269refinements. The plot is updated as the refinement progresses. The mouse can
    266270be used to zoom in on sections of the plot.
    282286pressing the left mouse button also works).
    283287See the installation instructions for installing TCLDUMP.
    284 <P><B>WIDPLT</B>
    286 <P>WIDPLT can be used to plot the actual peak widths generated by the profile
     290<br clear=all>
     293WIDPLT can be used to plot the actual peak widths generated by the profile
    287294parameters used in GSAS.
    288295It is possible to define reference curves
    290297WIDPLT uses the <A href="#blt">BLT</A> graphics package.
    291298<CENTER><IMG SRC="widplt.gif" alt="EXPGUI Screen snapshot"></CENTER>
    292 <BR>
     301<br clear=all>
     302<a name="ConvertUnix"></a>
     303<h3>Unix File Conversions</h3>
     305In UNIX, GSAS data, experiment and instrument parameter files are expected to
     306have a format with exactly 80 characters per line and no line
     307separators (no carriage returns or linefeeds). Files in this format
     308are called "Direct Access". Normal UNIX files may have any number
     309of characters per line and every line is terminated by a line feed character.
     310These files are called "sequential".
     311EXPGUI uses the convention that all uppercase is used for Direct Access files
     312while all lowercase is used for sequential files.
     314The Unix File Conversion menu is used to convert sequential files to
     315direct access for use in GSAS or to convert direct access files to
     316sequential, for use in standard UNIX programs, such as editors or e-mail.
     319<br clear=all>
     320<a name="ConvertWin"></a>
     321<h3>Windows File Conversions</h3>
     323In Windows, GSAS data, experiment and instrument parameter files are
     324expected to have a format with exactly 80 characters per line followed
     325by a carriage returns and a linefeed (82 characters total per line).
     326Files in this format can be read in "Direct Access" mode. The Convert menu
     327in windows can be used to convert files into this format (it can also
     328convert UNIX direct access files correctly). The original version of the
     329file is retained and renamed.
     333<br clear=all>
     334<a name="Composition"></a>
     335<h3>Compute Composition</h3>
     337The composition box shows the unit cell and asymmetric unit composition
     338for all phases in a material. Site multiplicities and occupancies are
     339taken into account.
     342<br clear=all>
     343<a name="ExportMSI"></a>
     344<h3>Export coordinates in MSI .xtl format</h3>
     346The Export/exp2xtl routine writes a .xtl file, as is used in Insight-II and
     347Cerius2 (Molecular Simulations, Inc.). Note that spacegroups are not named
     348exactly the same in the two programs and the origin may need to be specified
     349as "origin 2", for spacegroups where the center of symmetry is not at the
     350origin. It is up to the user to get things right.
     353<br clear=all>
     354<a name="DeleteHistoryRecords"></a>
     355<h3>Delete History Records</h3>
     357Every time a GSAS program (including EXPGUI) is run, an entry is added to
     358the "history records" in the .EXP file. After 999 entries have been written,
     359no more can be added to the file. Further, reading large numbers of history
     360records can slow the GSAS programs
     361(this is less of a problem on faster computers). For these reasons, it may be
     362a good idea to prune the older history records from the file. If more than 100
     363history records are found in an experiment file, EXPGUI suggests that the
     364older history entries be deleted. Alternately the File/EraseHistory command
     365can be used to invoke the this option.
     367On the dialog the number of history records to be retained is specified.
     368Also, after records have been deleted, the remaining records can be renumbered
     369starting with 1, so that the 999 record limit is not reached.
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