Changeset 329

Timestamp:

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

Author:

toby

Message:

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

File:

• trunk/doc/expgui.html (modified) (5 diffs, 3 props)

trunk/doc/expgui.html

@@ -19 +19 @@
 alt="Link to Tcl/Tk information">
 </CENTER></A>
-<hr>
+<br clear=all><hr>
 
 <TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
@@ -47 +47 @@
 contents of the menus. Other documents about EXPGUI are:
 <a name="installation"></A>
-<A HREF="expgui_Win_readme.html">
-Installation notes for Windows</A>, 
-<A HREF="expgui_Unix_readme.html">
-Installation notes for UNIX</A>,
+Installation notes for 
+<A HREF="expgui_Win_readme.html">Windows</A>,
+and for
+<A HREF="expgui_Unix_readme.html">UNIX</A>,
 <A HREF="expgui_cfg.html">
-Customization notes</A> and two example tutorials: for
+Customization notes</A>, a list of <A HREF="expguierr.html">warning, error and informational messages</A>
+and two example tutorials: for
 <A HREF="tutorial1/index.html">
 TOF</A>
@@ -252 +253 @@
 
 <h2>D. EXPGUI Utility Programs</h2></a>
-<DL><DL>
-<P><B>LSTVIEW</B>
-
-<P>lstview is used to browse through the GSAS output listing. It is
+
+<br clear=all>
+<H3>LSTVIEW</H3>
+
+<DL><DL>
+lstview is used to browse through the GSAS output listing. It is
 invoked by the "lstview" command in the GUI.
 <CENTER><IMG SRC="textview.gif" alt="EXPGUI Screen snapshot"></CENTER>
-
-
-<P><B>LIVEPLOT</B>
-
-<P>liveplot shows the observed, calculated and difference plots for powder
+</DL></DL>
+
+<br clear=all>
+<H3>LIVEPLOT</H3>
+<DL><DL>
+liveplot shows the observed, calculated and difference plots for powder
 refinements. The plot is updated as the refinement progresses. The mouse can 
 be used to zoom in on sections of the plot. 
@@ -282 +286 @@
 pressing the left mouse button also works).
 See the installation instructions for installing TCLDUMP.
-<P><B>WIDPLT</B>
-
-<P>WIDPLT can be used to plot the actual peak widths generated by the profile
+</DL></DL>
+
+<br clear=all>
+<H3>WIDPLT</H3>
+<DL><DL>
+WIDPLT can be used to plot the actual peak widths generated by the profile
 parameters used in GSAS. 
 It is possible to define reference curves 
@@ -290 +297 @@
 WIDPLT uses the <A href="#blt">BLT</A> graphics package.
 <CENTER><IMG SRC="widplt.gif" alt="EXPGUI Screen snapshot"></CENTER>
-<BR> 
+</DL></DL>
+
+<br clear=all>
+<a name="ConvertUnix"></a>
+<h3>Unix File Conversions</h3> 
+<DL><DL>
+In UNIX, GSAS data, experiment and instrument parameter files are expected to 
+have a format with exactly 80 characters per line and no line
+separators (no carriage returns or linefeeds). Files in this format
+are called "Direct Access". Normal UNIX files may have any number 
+of characters per line and every line is terminated by a line feed character. 
+These files are called "sequential". 
+EXPGUI uses the convention that all uppercase is used for Direct Access files
+while all lowercase is used for sequential files.
+<P>
+The Unix File Conversion menu is used to convert sequential files to 
+direct access for use in GSAS or to convert direct access files to 
+sequential, for use in standard UNIX programs, such as editors or e-mail.
+</DL></DL>
+
+<br clear=all>
+<a name="ConvertWin"></a>
+<h3>Windows File Conversions</h3> 
+<DL><DL>
+In Windows, GSAS data, experiment and instrument parameter files are
+expected to have a format with exactly 80 characters per line followed 
+by a carriage returns and a linefeed (82 characters total per line). 
+Files in this format can be read in "Direct Access" mode. The Convert menu
+in windows can be used to convert files into this format (it can also 
+convert UNIX direct access files correctly). The original version of the 
+file is retained and renamed.
+<P>
+</DL></DL>
+
+<br clear=all>
+<a name="Composition"></a>
+<h3>Compute Composition</h3> 
+<DL><DL>
+The composition box shows the unit cell and asymmetric unit composition
+for all phases in a material. Site multiplicities and occupancies are 
+taken into account.
+</DL></DL>
+
+<br clear=all>
+<a name="ExportMSI"></a>
+<h3>Export coordinates in MSI .xtl format</h3> 
+<DL><DL>
+The Export/exp2xtl routine writes a .xtl file, as is used in Insight-II and
+Cerius2 (Molecular Simulations, Inc.). Note that spacegroups are not named 
+exactly the same in the two programs and the origin may need to be specified
+as "origin 2", for spacegroups where the center of symmetry is not at the 
+origin. It is up to the user to get things right.
+</DL></DL>
+
+<br clear=all>
+<a name="DeleteHistoryRecords"></a>
+<h3>Delete History Records</h3> 
+<DL><DL>
+Every time a GSAS program (including EXPGUI) is run, an entry is added to 
+the "history records" in the .EXP file. After 999 entries have been written,
+no more can be added to the file. Further, reading large numbers of history
+records can slow the GSAS programs 
+(this is less of a problem on faster computers). For these reasons, it may be 
+a good idea to prune the older history records from the file. If more than 100
+history records are found in an experiment file, EXPGUI suggests that the
+older history entries be deleted. Alternately the File/EraseHistory command
+can be used to invoke the this option.
+<P>
+On the dialog the number of history records to be retained is specified. 
+Also, after records have been deleted, the remaining records can be renumbered
+starting with 1, so that the 999 record limit is not reached.
 </DL></DL>