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3   <title>EXPGUI Messages</title>
[517]4   <meta name="keywords" content="crystallography, Rietveld, diffraction,
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17   include("/var/www/include/");
18   include("/var/www/include/");
20<blockquote><font face="arial, helvetica, sans-serif">
23<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
[517]27<HR noshade width="75%" size="2" align="center">
[343]28EXPGUI Informational, Warning and Error Messages
[517]29<HR noshade width="75%" size="2" align="center">
31This page contains additional information about various warning
32and error screens that may occur in EXPGUI as well as descriptions
33for a number of utility functions.
[412]35<a name="Info"></a>
[343]36<H2>Informational Messages</H2>
[316]37<a name="Overwrite"></a>
38<h3>File has been modified...</h3> 
40This message occurs when EXPGUI detects that the experiment file has
41been changed by another program. (EXPGUI only tracks the file
42modification date, so that the file could have been opened for writing,
43but no actual changes were made.) This can be normal behavior -- for example
44after a refinement cycle has been run,
45or this can signal a problem, such as two people
46or sessions trying to edit the same .EXP file.
47This warning is made because a choice must be made: to keep the version
48currently displayed in EXPGUI, or to use the new version
49written by the other program.
50On UNIX, this message can be avoided by setting the
51<a href="expguic.html#Autoupdate">Autoupdate EXP</a> flag
52to "on" causes .EXP files to be loaded automatically after GSAS
[369]53programs are run, eliminating most occurrences where this message is
[316]54displayed, but with the disadvantage that a bad refinement run can not
55be reversed easily.
58If you choose to keep the
59currently displayed version and make changes and then save the file, either
60by using the File/Save menu option or by running a GSAS program,
[369]61the new version just written will be lost,
62if any changes are made in EXPGUI and are then saved.
63This can be useful -- to discard the
64results of a refinement that has gone awry --
65but in other cases may not be desirable.
67If you opt to load the new .EXP file, by pressing "Load new",
68the version currently displayed in
69the EXPGUI window will be lost. This is normally what you will want to do,
70but if you unsure, you can select "Continue with old", use File/Save As to
71save the version in EXPGUI and then use "EXPNAM" to load the new version,
72so they can be compared.
[369]74If changes have been made to the experiment file in EXPGUI
75since it was last saved, and
76the file is changed by an external program, the message "you have made
[316]77changes to this version" is added and a third button,
78"Save edited version", is shown. Under this circumstance, the usual action,
[369]79pressing "Load new" could result in valuable changes being lost. Pressing
[316]80"Save edited version" results brings you to the File/"Save as" menu,
81where the modified version of the experiment file in EXPGUI can be
82saved under a new name.
83<br clear=all>
[369]86<a name="lock"></a>
87<h3>Please wait while GSAS program finishes...</h3> 
[551]89A window labeled "<font face="courier">Please wait while GSAS program finishes."
90If a problem occurs, close the DOS box and press the "Continue" button</font> 
[369]91is created in Windows-9x while GSAS programs are run. As this window
[551]92is created, a "lock" file (<font face="courier">expgui.lck</font>) is also created. When the
[369]93DOS batch file running the GSAS program completes, this file is deleted.
[551]94The EXPGUI process waits until the <font face="courier">expgui.lck</font> lock file
[369]95is deleted. Should the DOS process crash before the file is deleted,
96the "Continue" button can be pressed. This causes
97EXPGUI to continue and deletes the lock file.
[316]98<br clear=all>
101<br clear=all>
[316]102<a name="Inputtitle"></a>
103<h3>Input a value for the title</h3> 
105A dialog with "Enter a value for the title for experiment..."  appears
106when a new experiment is created. Note that this title can be edited
107later on the
108<a href="expgui1.html">Least Squares Control Page</a>.
[316]113<br clear=all>
[343]114<a name="ChooseCIF"></a>
115<h3>Choose CIF Block</h3> 
[343]117When coordinates/cell parameters are read from a CIF, all blocks in the file
118are read. If more than block containing coordinates is found, a message
119saying "More than one block in CIF contains coordinates. Select the block to use."
120One must then select one of these blocks from the list of blocks.
121The blocks with coordinates are listed, both numbered and with the
122block (data_) name. The "CIF Browser"
123button can be pressed to view the data names and their values for each block.
[316]127<br clear=all>
[343]128<a name="open"></a>
129<h3>Open Experiment File</h3> 
[343]131The Open Experiment windows is displayed to select a
132experiment file to read or write, as well as a
133directory to use. When the message at the top reads
134"Select an experiment file to read" either an
135existing experiment file should be selected, or a new
136name may be typed in at the box at the bottom to enter
137a name manually. If the file is not found,
138you will be warned and given the option of
139creating a new experiment with that name.
141When the message at the top reads
142"Select an experiment file to create",
143typically after a "Save as" command,
144the directory may be changed, but typically
145a file name will be typed into the bottom box.
146If the file exists, you will be warned before the
147file is overwritten and you will have the option
148to enter a different file name.
[343]150Note that the files in the list can be sorted
151alphabetically or can be sorted by the date the
152experiment file was last modified, according to
153the checkbuttons to the upper right.
[463]155The "Include Archived Files" checkbox allows archive files
156named <xxxxxx>.Onn to be read
[412]157(see the
[463]158<A href="expguic.html#archive">archive option</A>).
159See the <A href="#LoadArchived">Load Archived File</A>, below, for
160further discussion.
[412]163<br clear=all>
164<a name="LoadArchived"></a>
165<h3>Load Archived File</h3> 
167When a archived experiment file is read, the "Load Archived File"
168window is displayed to select the name to be used for the experiment.
169There are two choices. One is to reuse existing name.
[463]170This will cause the current version of the experiment file to be
171archived so that it is not lost. The selected [older] archived
172version will then be read and will be saved as the latest version of the
173experiment file.
174The other option is to save the experiment
[412]175under a new name.
[440]178<br clear=all>
179<a name="ExcludeRegion"></a>
180<h3>Exclude Data...<BR>Delete Region...</h3> 
182This message is shown before adding or deleting an excluded region using
183<a href="excledt.html">EXCLEDT</a> to confirm an action.
184See the <a href="excledt.html#AddRegion">discussion on Adding Regions</a>
185in EXCLEDT.
186Note that this
187confirmation message can be eliminated if desired, (see the
188EXCLEDT Options menu item <a href="excledt.html#prompt">Prompt on add/del</a>.)
189<br clear=all>
192<br clear=all>
193<a name="ProcessRegions"></a>
194<h3>The upper (lower) limit has changed...<BR>The excluded regions have changed...</h3>
196This message is shown
197if the upper data limit is raised (or d-min ls lowered) so that
198<a href="excledt.html">EXCLEDT</a> can display the data that have been added.
199It is also shown when
200<a href="excledt.html">EXCLEDT</a> exits so that the new data limits
201can be processed. GENLES will not run properly until POWPREF is run.
204<br clear=all>
205<a name="RegionTooBig"></a>
206<h3>The upper (lower) data point...</h3>
208This message is shown when the upper data limit (lower d-min limit)
209well outside the range of data.
210It is probably best to accept this suggestion. See the
211<a href="excledt.html#LimitTooHigh">discussion on data limits</a>
212in the EXCLEDT web page for more information.
215<br clear=all>
216<a name="ProcessUse"></a>
217<h3>You have changed histogram flags...</h3>
219This message is shown
220after changing histogram flags so that a different set of histograms
221will be included or excluded in a refinement.
222GENLES will not run properly until POWPREF is run.
[412]225<a name="Warn"></a>
[343]226<H2>Warning Messages</H2>
[316]228<br clear=all>
[657]229<a name="AbandonEditConstraints"></a>
[343]230<a name="AbandonAtomConstraints"></a>
231<h3>Abandoning Constraint Editing</h3> 
[343]233If the "Cancel Changes" button is pressed when
[369]234a profile or atom constraint is being edited or created, a message saying
[343]235"Do you want to lose any changes made to this constraint?" is displayed, even
236if no changes have been made to the constraint. Changes are recorded only when the
237"Save" button is pressed.
[316]241<br clear=all>
[343]242<a name="OpenErr"></a>
243<h3>File ... does not exist in ...</h3> 
[343]245When an attempt is made to open a file that does not
246already exists, for example when the EXPNAM command
247is used, this warning is displayed. The answer can be
248"Select other" or "Create", where "Select other" will
249return you to a file selection dialog and "Create"
250will create a new dialog with this name.
253<br clear=all>
[343]254<a name="OverwriteErr"></a>
255<a name="OverwriteCnv"></a>
256<h3>File ... already exists in ... OK to overwrite?</h3> 
[343]258When an attempt is made to using the File/"Save As"
259command to write the current experiment file
260with a new name, but
261a file with the newly specified name already exists,
262this message is displayed. Choose "Select other"
263to specify a different file name or "Overwrite"
264to use this name in which case the older file
265is replaced.
[343]267A similar warning will occur in UNIX when converting files.
[369]268If the intended output file already exists,
[343]269this message is displayed. Choose "Cancel"
270to specify a different file name or "Overwrite"
271to use this name in which case the older file
272is replaced.
273This message can be seen in Windows when converting files,
274for slightly different reasons. When files are converted, the
275converted file keeps the same name as the original version. However,
276th original file is renamed to XXXX.ord, where XXXX.YYY is the
277original file name. If a file named XXXX.ord already exists, this message
278is displayed.
[412]281<br clear=all>
282<a name="NoValidHist"></a>
283<h3>No histograms are ready to plot. Run GENLES and try again.</h3> 
285This happens when LIVEPLOT is run but no valid histograms are available
286to plot. LIVEPLOT can plot histograms only when they have been processed by
287both POWPREF and GENLES.
[651]290<br clear=all>
291<a name="Customizewarning"></a>
292<h3>Error reading localconfig or .gsas_config:</h3> 
[709]294This happens when an invalid command is encountered in files
295<FONT FACE="COURIER">localconfig</FONT>,
296<FONT FACE="COURIER">~/.gsas_config</FONT>
298<FONT FACE="COURIER">c:\gsas.config</FONT>.
299Some or all of the commands in these files
[651]300will be skipped over,
301but nothing serious wrong will likely result. Note that the
[709]302<FONT FACE="COURIER">localconfig</FONT> 
303file is located in the expgui directory
305<FONT FACE="COURIER">/home/gsas/expgui/localconfig</FONT> or
306<FONT FACE="COURIER">C:\gsas\expgui\localconfig</FONT>)
307and the <FONT FACE="COURIER">.gsas_config</FONT>
308or <FONT FACE="COURIER">gsas.config</FONT> file
309is located in your home directory in UNIX or
310<FONT FACE="COURIER">c:\</FONT> in Windows.
311If you rename or move these files, the error should go away.
[651]312At that point you can decide if you want to track the error down to retain
313your <a href="expgui_cfg.html">customizations</a>.
[676]316<br clear=all>
317<a name="RunPowpref"></a>
318<h3>You are attempting to run GENLES...:</h3> 
320The POWPREF program maps reflections to every data point. If you
321add/remove phases or histograms, or change the diffractometer constants,
322cell parameters, profile parameters, and so on, you need to run POWPREF
323before running GENLES. If EXPGUI catches you forgetting to do this, it
324reminds you. However, not all possible changes that would require POWPREF are
328<br clear=all>
329<a name="BadLaue"></a>
330<h3>Error processing Laue code:</h3> 
332The message "Error processing Laue code: XXXX
333Error in space group YYYY..." occurs when the Laue class for a space group
334could not be determined when editing unit cell constants. This is likely
335due to you entering an invalid space group or else a bug in EXPGUI in
336parsing the output from program SPACEGROUP. The former is more likely,
[900]337but if you encounter a bug, please send it in</A>, be sure
[676]338to specify how where spaces were used in the string (e.g. "P 21 21 21" vs.
339"P21 21 21").
[412]344<a name="Error"></a>
[343]345<H2>Error Messages</H2>
[316]347<br clear=all>
[343]348<a name="NoPGPLOT"></a>
349<h3>Unable to find file GRFONT.DAT...</h3> 
[551]351The file <font face="courier">grfont.dat</font> is expected to be in the ...\gsas\fonts directory
352in DOS/Windows platforms and files <font face="courier">grfont.dat</font> and
353<font face="courier">pgxwin_server</font> are expected to be found in the .../gsas/pgl directory
[343]354in UNIX. If these files cannot be found, GSAS will not be able to produce
355graphics in programs such as POWPLOT, RAWPLOT,...
356If GSAS and EXPGUI are correctly installed this error will not occur
357(see the installation notes for
358<A HREF="expgui_Win_readme.html">Windows</A>
360<A HREF="expgui_Unix_readme.html">UNIX</A>.
364<br clear=all>
[343]365<a name="ConvNotFound"></a>
366<h3>Sorry, file ... not found in ...</h3> 
[369]368The specified input file was not found for conversion
371<br clear=all>
[343]372<a name="ConvSameName"></a>
373<h3>Sorry, filenames must differ</h3> 
375For UNIX file conversions, the input and output file names
[369]376must be different. You have specified the same name twice.
379<br clear=all>
[369]380<a name="NoRename"></a>
381<h3>Unable to rename <I>XXXXX</I>.LST</h3> 
383This message is displayed if the GSAS .LST file could not
384be renamed prior to running DISAGL in a separate window.
385On Windows it appears that LSTVIEW can prevent EXPGUI
386from renaming the .LST file. Either exit LSTVIEW
387while running DISAGL or reset the DISAGL option
388DISAGL so that output goes to the .LST file.
391<br clear=all>
[440]392<a name="OldEXPTOOL"></a>
393<h3>You must upgrade the EXPTOOL program...</h3> 
395The original version of the EXPTOOL program used within
396EXPGUI to add histograms does not work with dummy histograms.
397Versions of GSAS distributed prior to October 2001 do not contain this updated
398routine. A more recent version of the EXPTOOL program can
399be downloaded from
400<A Href="">
402<A Href="">
403</A> or
404<A Href="">
406Alternately, EXPEDT can be used to add dummy histograms.
409<br clear=all>
[495]410<a name="TCLDUMPError"></a>
411<h3>Error running TCLDUMP (LIVEPLOT or BKGEDIT)</h3> 
413The program TCLDUMP (or program HSTDMP if TCLDUMP is not found) is used to read
414the binary <I>expnam</I>.Pxx and <I>expnam</I>.Rxx files produced by
415POWPREF and GENLES so that refinement results can be plotted.
416If there is an error reading these files, an error message is produced
417reading "There was an error running the TCLDUMP program..."
418and the text of the error message reads something like
419"Invalid command name 'FORTRAN'".
420The most common reason for this error is that the
421<I>expnam</I>.Pxx and <I>expnam</I>.Rxx files do not exist (because you have
422not run POWPREF or have moved/renamed the .EXP file. It is possible,
423but less common for this error to occur if TCLDUMP tries to read files
424produced by an older version of GSAS (since the internal format of the
425binary files sometimes changes). If you see this message, run POWPREF & GENLES
426to force these files to be written. If the GSAS results can be plotted in
427POWPLOT, but not in LIVEPLOT or BKGEDIT, please contact Brian Toby at
[900]428<a href="">Brian.Toby@ANL.GOV</a>.
431<br clear=all>
[316]432<a name=""></a>
439<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
[579]443<font size=-1><? lastmod(); ?> </font>
445$Revision: 971 $ $Date: 2010-03-28 14:19:30 +0000 (Sun, 28 Mar 2010) $
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