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2<head>
3   <title>EXPGUI Wish List</title>
[519]4   <meta name="keywords" content="crystallography, Rietveld, diffraction,
5   GSAS, EXPGUI">
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[407]22<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
23<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
[519]24</TH><TH><A  Href="revlog.html">Full change log</A> 
[407]25</TH></TR></TABLE><BR CLEAR=ALL>
26
[213]27<center><h1>
[519]28<HR noshade width="75%" size="2" align="center">
[213]29EXPGUI Wish List<BR>
[407]30New Features Completed, In Progress, Planned, or Requested
[519]31<HR noshade width="75%" size="2" align="center">
[213]32</h1></center>
33<P>
[407]34This page describes recent features added to EXPGUI or that are being
35considered for addition.
36See the <A HREF="expgui.html">EXPGUI documentation</A> for a description of
37the current features and see <A HREF="revlog.html">the EXPGUI Revision log</A>
38for a complete list of all changes for the source files.
[213]39
[653]40<H2>Requested EXPGUI improvements</H2><DL>
[407]41The suggested improvements obtained from EXPGUI users are listed here.
[653]42Prioritization is based in part on input from users, from back when
43EXPGUI development was supported by NIST via ATP intramural program.
44At present EXPGUI development is progressing slowly, since the work
45is not funded.
46<P>
47In the list below, dates for requests are noted in parenthesis when known.
[438]48Additional suggestions and input on priorities are welcome; send them to
[581]49the author of EXPGUI,
[902]50<a href="mailto:brian.toby@anl.gov?subject=EXPGUI suggestions">Brian.Toby@ANL.GOV</a>
[677]51<H3>Requests, 2002-</H3><DL>
[653]52<UL>
[892]53<LI> Add ability to use d-min or Q-max when adding multiple histograms
54(2/06) <font color=red>(done, 3/06)</font>
55<LI> Add ability to use INSTEDIT for TOF datasets; grab TOF profiles & DIFA/C
56from .EXP file
57(2/06) <font color=red>(done, 3/06)</font>
[736]58<LI> Set up simple magnetic refinements (5/03)
[711]59<LI> Save window sizes & placement information (4/03)
60<LI> Fix a coordinate for origin definition (4/03)
61<LI> Change .gsas_config to gsas.config for Windows (3/03)
62<font color=red>(done, 5/03)</font>
[677]63<LI> Warn to run POWPREF after adding phases, histograms,
64changing phase or histogram flags (profile?) (2/03)
[711]65<font color=red>(done, 4/03)</font>
[677]66
67<LI> Improve ability to add multibank histograms in one swell foop (2/03)
[765]68<font color=red>(done, 8/03)</font>
[677]69
[711]70<LI> Export diffraction data to FOX (2/03)
71<font color=red>(done, 4/03)</font>
[677]72
[789]73<LI> Mac OS X support (1/03)
[892]74<font color=red>(done, 11/03)</font>
[677]75
[765]76<LI> Support Fourier map export for FOX (1/03)
77<font color=red>(to appear as export option in FORPLOT)</font>
[677]78
79<LI> Add support for WINUTILS
80   (see http://prdownloads.sourceforge.net/tomasoft/ and
81   http://sourceforge.net/project/showfiles.php?group_id=1616)
82as an alternative to WINEXEC
[817]83<font color=red>(done, 9/04)</font>
84
[653]85<LI> Adding Profile constraints -- dummy out profile functions that are not present (7/02)
86
[677]87<LI> Update LSTVIEW plots with latest refinements results (7/02)
[653]88
89<LI> Allow setting the "anisotropic broadening axis" for sfec, ptec,... (7/02)
90
91<LI> Display Rwp in LSTVIEW & EXPGUI (7/02)
92
93<LI> Allow setting up DISAGL controls; in particular flag for inclusion
94of Fourier peaks [EXPEDT: K D D F] (7/02)
95
96<LI> Least Squares options: atom shift limits [enable/disable] (5/02)
97
[711]98<LI> Edit histogram weighting factors (5/02)
[653]99
100<LI> Least Squares options commonly needed for single crystal work (3/02)
101<OL>
102<LI> F   - Change minimization function
103<LI> N n - Lower D-spacing limit
104<LI> R   - Change the weight modification flag, Robust
105<LI> S n - Set a Lower I/SigI cut-off in RFN-F
106<LI> W n - Refinement weight option "n"
107</OL>
108
109<LI> List single crystal histograms; useful options/parameters are:
110use/ignore flag, scale factor, damping & refinement flag (3/02)
111
112<LI> Show cursor position in Liveplot (1/02)
113<font color=red>(done)</font>
114
115<LI> Label LIVEPLOT phase by phase name (1/02)
116<font color=red>(done)</font>
117</UL>
118</DL>
119<H3>Requests, 2001 and before</H3><DL>
[407]120<H4>
121Highest
122Priority</h4><UL>
[241]123
[407]124<LI> graphical excluded region editing
[432]125<font color=red>(done)</font>
[407]126
127<LI> Fixed background editor; fit a Chebeschev polynomial to
128        selected background points
129<font color=red>(done)</font>
130
[455]131<LI> import coordinates from EXP files
132<font color=red>(done)</font>
[407]133
[455]134<LI> import coordinates from .xtl files
[525]135<font color=red>(done)</font>
[455]136
[525]137<LI> import coordinates from Platon (.spf) files
138<font color=red>(done)</font>
139
[432]140<LI> support the new archived .EXP files (.Oxx)
[465]141<font color=red>(done)</font>
[432]142
[407]143<LI> Liveplot: look for a valid histogram on startup
144<font color=red>(done)</font>
145
146<LI> support new refinement control options (convergence...)
147<font color=red>(done)</font>
148
149<LI> support histogram flags
[438]150<font color=red>(done)</font>
[407]151
[519]152<LI> Support macromolecular phases
[525]153<font color=red>(done)</font>
[519]154
[407]155</UL><h4>
156Medium
157Priority</h4><UL>
158
[863]159<LI>Grab wavelength from .EXP file in INSTEDIT (F. F. Ferreira, 10/2005).
160
[525]161<LI> support histogram flags for non-powder
162(single xtal & soft-constraint) histograms.
[486]163<font color=red>(done)</font>
164
[438]165<LI> Support dummy histograms for powder simulations
166<font color=red>(done)</font>
167
[613]168<LI> Revisit GSAS2CIF to export results to CIF
169<font color=red>(done)</font>
170
[496]171<LI> Show status information (R-factors & dates) from selected .EXP files & 
172.Oxx files
173<font color=red>(done)</font>
174
[525]175<LI> Rework coordinate export interface
176<font color=red>(done)</font>
[407]177
[525]178<LI>Support more coordinate export formats (.SPF & SHELX for Platon & CrystalMaker)
179<font color=red>(done)</font>
180
[438]181<LI> Support dummy histograms in EXCLEDT
[486]182<font color=red>(done)</font>
[432]183
[653]184<LI> Plot absorption corrections (11/01)
[525]185<font color=red>(done)</font>
186
[653]187<LI> Delete .LST flags in lstview (12/01)
[525]188<font color=red>(done)</font>
189
[653]190<LI> Add GUI support for bond-distance soft constraints
191[a major project]
[581]192
[653]193<LI> "finalplot" program for publication-quality output
194
195<LI> Import diffraction data from CIFs
196
197<LI> Fourier Transform interface,
198perhaps with two parts: set up options for map computing and at some
199point later think about map viewing options.
200
[407]201</UL><h4>
202Low
203Priority</h4><UL>
204
[438]205<LI> "save as" for DISAGL output
[486]206<font color=red>(done)</font>
[407]207
[653]208<LI> log/graph parameter shifts vs cycle
209<font color=red>(done)</font>
210
[407]211<LI> instrument parameter file editor
[711]212<font color=red>(done, 5/03)</font>
[407]213
214<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
215        from another .EXP file
216
[525]217<LI> import from other .EXP:  Preferred orientation, Restraints, Constraints...
[407]218
[525]219<LI> export Le Bail reflection intensities to SHELX & EXPO formats
[407]220
[438]221<LI> "wizard" that would lead new users through the steps of
222        setting up a refinement. This may be hard to do well, but ideas
223        are solicited.
224
[407]225</UL><h4>
226Not Planned
227</h4><UL>
228
229<LI> Shelx style disagl output
[653]230<font color=red>(done, <a href="gsas2cif.html#cifselect">see CIFSelect</a>)</font>
[407]231
232<LI> point & click GUI-Forplot
233
234<LI> save plot as metafile
235
236</UL>
237<hr>
238</DL>
239
[711]240<a name="WhatsNew"></a>
[407]241<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
[653]242Additional features & fixes added to EXPGUI since mid-2000 are listed here,
[407]243with an approximate date the features were added and the EXPGUI version
[653]244where the feature was added. This list includes only the more significant
245changes.
[407]246For a complete list of all changes for the source files
[653]247see <A HREF="revlog.html">the EXPGUI Revision log.</A>
[407]248<P>
[931]249<DT>Import pdCIF data
250<DD>EXPGUI can now read powder CIF data and rewrite it as
251  GSAS .fxye (1 line per file) data. For CW data only.
252(4/2006, 1.83)
253<DT>DISAGL export
254<DD>Add button to select distances from 1 phase and copy to Windows clipboard
255  to interface with Andrew Will's VaList program (not yet tested).
256(4/2006, 1.83)
257<DT>Bug fixes & cleanup
258<DD>Bugs in EXCLEDT, Import Atoms, etc; relabel many buttons for better
259  consistency and to be more conventional.
260(4/2006, 1.83)
261<DT>EXPGUI macros added
262<DD>EXPGUI can record nearly all actions into a macro file. The macro file
263  can be "replayed" to repeat those actions on a new experiment. Macro
264  files can replayed a line at a time or can be executed all at once.
265  Tcl commands
266  can be introduced into a macro file so that programming can be done
267  with macro files. Misc changes to suit this such as turn of prompt when
268  running GSAS programs; run GSAS programs w/o terminal windows.
269(4/2006, 1.82)
270<DT>User error checking
271<DD>Check for final R in space group name for R space groups in
272  rhombohedral settings.
273(4/2006, 1.82)
274<DT>Lattice parameter entry
275<DD>Unit cell type now constrains the number of lattice parameters that can be
276  entered.
277(4/2006, 1.82)
278<DT>Import diffractometer constants
279<DD>Diffractometer constants can be read from a GSAS .EXP file into INSTEDIT.
280(4/2006, 1.82)
281<DT>Minor changes
282<DD>fix grace export, spelling on convergence, warn on windows if COMSPEC
283  (cmd.exe location) is not defined.
284(4/2006, 1.81)
285<DT>Minor changes
286<DD>Add gsas2map, remove now defunct background #3, fix Q conversion in background
287(4/2006, 1.80)
[863]288
[892]289<DT>TOF facilities
290<DD>Improve adding multiple histograms by specifying d-min or Q-max in place
291of tof-min; Allow INSTEDIT to be used for TOF instrument parameter files.
292(4/2006, 1.79)
293<DT>MUSTRPLOT
294<DD>Add micro-strain plotting program to menus.
295(4/2006, 1.79)
296
[871]297<DT>Recomputation of Multiplicities
298<DD>EXPGUI can now recompute the multiplicities for a set of atoms. This can be
299done with a button on the edit atoms page and is automatically done when the
300atoms coordinates are changed with a transformation matrix or an origin shift
301as well as prior to a composition computation.
302(2/2006, 1.78)
303<DT>Bug & Cosmetic Fixes
304<DD>Put GSAS into window title
305<BR>rationalize appearance of some labels fields (histogram heading & history)
306<BR>bug: in global setting of phase fractions & ph. frac. damping
307<BR>prevent use of more than 36 bkg parameters in BKGFIT, since that is all GSAS allows
308<BR>fix bug in 2theta max when adding multiple histograms
309(2/2006, 1.78)
310
[863]311<DT>
312Transform Atoms - Origin 1 -> 2
313<DD>
314The option to transform Origin 1 settings to Origin 2 is now provided
315in the windows raised by th "xform atom(s)" button on the phase panel.
316(9/2005, 1.77)
317
318<DT>
319DRAWxtl Export
320<DD>
321DRAWxtl export has been enhanced to display vectors for magnetic phases
322and to launch DRAWxtl directly.
323(9/2005, 1.77)
324
325<DT>Spherical Harmonic Fix
326<DD>In June 2005, GSAS was changed to allow more spherical harmonic terms
327by renaming the CRSxODF records. EXPGUI now converts old records to the
328new format and can read them.
329(9/2005, 1.77)
330
331<DT>Import coordinates from .EXP file
332<DD>Fix bug introduced when new all-in-one Tcl/Tk package was implemented
333(missing package require Tk).
334(9/2005, 1.77)
335
336<DT>Print from LSTVIEW (Unix only)
337<DD>Selected text can be sent to lpr command
338(3/2005, 1.76)
339
340<DT>Misc fixes from RBVD
341<DD>Fix profile 4 labels, add support for #5, add LS Band control, add
342extra digit to PRNT for extra option, note Pawley phase.
343(3/2005, 1.76)
344
345<DT>Prevent use of Zero & SHFT (+ TRANS) parameters together
346<DD>A common GSAS error is to refine a zero correction together with
347the Bragg-Brentano corrections (SHFT & TRANS). When Zero is refined,
348TRANS & SHFT are now turned off and disabled.
349(3/2005, 1.76)
350
351
[832]352<DT>Cleanup/Bug fixes
353<DD>Require BWidget package; provide a clear error message when not found.
354Fix vector access in liveplot (not broken?) & excledt for BLT2.4z.
355More documentation changes.
356(9/2004, 1.75)
[819]357<DT>Installation/instructions
358<DD>New GSAS/EXPGUI packages have been created for
359all platforms using the new Tcl/Tk starkits.
360The installation instructions for Windows, SGI/Linux & Mac OS X have
361been extensively revised.
[832]362(9/2004, 1.74)
[817]363<DT>WINUTILS
364<DD>EXPGUI now can use the WINUTILS or WINEXEC package to run
365GSAS programs in a COMMAND.COM window on Windows-95/-98 and -ME.
366This was needed to update to a newer Tcl/Tk release that fixes
367a hang in -XP. Note that WINUTILS & WINEXEC are not used
368in -NT/-2000/-XP.
369Also, misc "package require" etc. to use Tcl/Tk Starkit (all platforms).
370(9/2004, 1.74)
371<DT>Coordinate export to DRAWXTL
372<DD>new export routine creates a .STR file for the
373very nice
[892]374<A HREF="http://www.lwfinger.net/drawxtl/">DRAWXTL</A> visualization program.
[817]375(9/2004, 1.74)
376<DT>Coordinate export to CIF
377<DD>new export routine creates a bare-bones CIF file with coordinates
378for a phase.
379(9/2004, 1.73)
380<DT>Fix non-ASCII character bug
381<DD>A bug was fixed that previously allowed EXPGUI to place
382non-ASCII characters into a .EXP file. GSAS could not read these files.
383This may not address every possible way this could happen (I was bit
384by this before, see note on v1.64), but should catch a lot more of these
385problems.
386(9/2004, 1.73)
387
[816]388<DT>zoom fixes for BLT2.4z
389<DD>BLT 2.4z changes, yet again the binding for zooming; EXCLEDT & BKGEDIT
390were updated to address this. The best cure for this is probably to not
391use the mouse buttons for other purposes.
392(5/2004, 1.72)
393<DT>LIVEPLOT ignore bad element attributes
394<DD>if a bad color value, etc. was saved for liveplot, the program would
395not start; this has been fixed.
396(5/2004, 1.72)
397<DT>Open Console
398<DD>An "open console" command has been added to the help menu in EXPGUI,
399LSTVIEW, LIVEPLOT, BKGFIT, WIDPLT & ABSPLT to help with debugging
400(5/2004, 1.72)
401
402<DT>Misc bug fixes (from Lachlan)
403<DD>make sure initial alpha1:2 ratio is 0.5 not 0.0; fix INSTEDIT none button;
404save changes before BKGEDIT.
405(5/2004, 1.71)
[863]406<DT>LIVEPLOT
[789]407<DD>Add (obs-calc)/sigma plotting to LIVEPLOT
[863]408<BR>Use arrow keys to move zoom region around (convenient!)
[789]409(4/2004, 1.71)
410<DT>Fox export
411<DD>Flag origin 2 space groups for FOX XML output
412(4/2004, 1.71)
413<DT>INSTEDIT bug
414<DD>Add ITYP line to instrument parameter file
415(4/2004, 1.71)
416<DT>Scan plot zoom
417<DD>The zoom region in LIVEPLOT, EXCLEDT & BKGEDIT can be moved around
418with the arrow keys (convenient!)
419(4/2004, 1.71)
[765]420
[789]421<DT>Customization for OS X
422<DD>On OS X, EXPGUI will set app & define icon for .EXP files
423(1/2004, 1.69)
[765]424
[789]425<DT>CIF updates
426<DD>Update CIF codes to use different indexing scheme for dictionaries
427(12/2003, 1.68)
428
[765]429<DT>reflection mark bug in excledt
430<DD>Fix edit broken close button for edit reflection marks in excledt; remove
431unneeded phases from option list; implement reflection mark shortcuts [press
4321 for phase 1,...]
433(12/2003, 1.65)
434
435<DT>Fix "Chinese date bug"
436<DD>Windows computers set to operate with Chinese inserted timezone reference
437into .EXP history record with chinese characters; this made .EXP file invalid
438within GSAS. The time zone is no longer recorded.
439(11/2003, 1.64)
440
441<DT>Change "Use new name" for archived .EXP files
442<DD>If you are reloading an archived .EXP file, you can copy it to be the
443latest version of the current .EXP file, or supply a new name. Previously,
444it saved the current file under a new name -- what was I thinking then?
445(11/2003, 1.64)
446
447<DT>OS X compatible
448<DD>This version of EXPGUI runs under Macintosh OS X(!)
449(11/2003, 1.64)
450
[736]451<DT>Add Multiple Histograms
452<DD>This option allows two or more "banks" of data to be read in a single
453pass for use with multibank diffractometers
454(8/2003, 1.62)
455
456<P>
[711]457<DT>Instrument parameter file editor
458<DD>This is used to modify and create instrument parameter files
459(5/2003, 1.61)
[432]460
[736]461<DT>Absorption correction big fix.
462<DD>The problem where a change made by EXPGUI causes EXPEDT to garble
463the ABSCOR record has been located and fixed, finally. Thanks are due to
464detailed bug reports from 3 different people, so that this bug could be
465tracked down!
[711]466(5/2003, 1.61)
467
468
469<DT>Change .gsas_config to c:\gsas.config on windows
470<DD>The name ~/.gsas_config makes sense in UNIX but is clumsy in Windows
471(5/2003, 1.61)
472
473<DT>LIVEPLOT export
474<DD>Liveplot now exports data to FOX and .CSV files (to produce publication
475quality graphics).
476(4/2003, 1.60)
477
478<DT>Export to FOX
479<DD>EXPGUI can now export coordinates & raw data to FOX
[765]480(Free Objects for Xtallography, objcryst.sourceforge.net)
[711]481via XML.
482(9/2002, 1.58) & 
483(4/2003, 1.60)
484
485<DT>TOF bug fixes, POWPREF nagging
486<DD>The "add histogram", EXCLEDT and BKGEDIT sections were reworked to
487correct errors in handling TOF datasets. EXPGUI flags changes that
488would require POWPREF to be run before GENLES and warns if POWPREF is not
489run.
490(4/2003, 1.60)
491
[653]492<DT>GSAS2CIF, FillCIF & CIFSelect
493<DD>The GSAS2CIF program has been rewritten, the FillCIF utility
494has been created to edit the new CIF templates
495and the new CIFSelect utility is provided to edit distance & angle publication
496flags. A new <a href="gsas2cif.html">GSAS2CIF web page</A> has been created to describe the process.
497(9/2002, 1.58)
[613]498
[653]499
500<DT>Fix profile constraint bug
501<DD>Profile constraints now must have a histogram & phase selected;
502defaults are used, where appropriate.
503(9/2002, 1.58)
504
[613]505<DT>Profile Constraint bug fixes
506<DD>The cancel button is fixed & the continue button for new constraints
507works only when 1 or more terms are selected.
508(7/2002, 1.56)
509
[581]510<DT>Show cursor position in LIVEPLOT
511<DD>Cursor position can optionally be displayed in LIVEPLOT/BKGEDIT
512(press "L" for live cursor).
513(2/2002, 1.55)
514
515<DT>Bug fixes
516<DD>Fix bugs: reading of spacegroup in CIFs, large .LST files in LSTVIEW
517(2/2002, 1.55)
518
[555]519<DT>Absorption/Reflection Correction
[863]520<DD>A new box has been added to the histogram panel to control
[555]521the absorption parameters.
522(1/2002, 1.55)
523
[525]524<DT>Coordinate Import/Export
525<DD>Export formats can now be added at run-time by writing
526export_*.tcl files. Export to MSI .xtl, SHELX & Platon .spf files
[546]527is now supported.
528<BR>
529Import from .xtl & .spf (PLATON) files. For
530.xtl import, automatically shift Origin 1 to origin 2.
531<BR>
532Better translation/checking of space group names on import. Space groups are
533better checked against spacegroup.ref in import_cif.tcl as was added
534to import_spf.tcl & import_xtl.tcl.
[525]535(1/2002, 1.54)
536
537<DT>Support macromolecular phases.
538<DD>mm phases can be edited on phase panel & a mm constraints
[546]539sub-panel has been added. Also add programs ramafit & gsas2pdb to menus.
[525]540(1/2002, 1.54)
541
542<DT>ABSPLT
543<DD>Display absorption/reflectivity correction
544(new program).
545(1/2002, 1.54)
546
547<DT>BKGEDIT
548<DD>fit terms using linear least squares. Background
[546]549functions 1-6 now are implemented. Colors/symbol size a little nicer.
[525]550(1/2002, 1.54)
551
552<DT>LIVEPLOT
553<DD>Cycle through histograms with the "N" keyboard key.
[546]554<BR>
555Optionally Label tickmarks by phase name & edit phase label on
556the edit tickmarks menu.
557<BR>
[525]558Plots can now be exported to GRACE (aka xmgr) to
559produce publication-quality graphics. A similar
560feature for a Windows program,
561preferably a common and not overly expensive (at least for academic users),
562if one can be found that accepts ASCII command files.
563(1/2002, 1.54)
564
565<DT>LSTVIEW enhancements<DD>
566LSTVIEW can now be used to plot R-factors as a function of the
567cycle number. If the summary of shifts output option is on,
568the ratio of shifts to standard uncertainty can also be plotted.
[546]569<BR>
[525]570LSTVIEW can also delete some or all of the .LST file contents.
[546]571<BR>
[525]572Minor bugs were also corrected.
573(1/2002, 1.54)
574
[519]575<DT>Bug fixes<DD>
576Put Edit Excluded Regions button back; Allow D as an element type; bkgedit
577with old BLT versions; manual zoom reset; saveas error;
[525]578(12/2001, 1.53)
[519]579
[525]580<DT>EXP info<DD>
[519]581Display R-factors, etc. in .EXP file open dialog.
582(12/2001, 1.52)
583
584<DT>Histogram Flags<DD>
[486]585Histogram flags can be set for all types of histograms.
586(11/2001, 1.51)
587
588<DT>Dummy Histograms<DD>
589Dummy histogram ranges can now be changed in the EXCLEDT routine.
590(11/2001, 1.50)
591
592<DT>
593Excluded region/Data limits editor
594<DD>
595Major rewrite to make compatible with Win-9x & add dummy histogram support
596(11/2001, 1.50)
597
598<DT>LIVEPLOT, BKGEDIT & EXCLEDT
599<DD>new features: manual zoom (z key) and cycle between histograms
600(n key)
601(11/2001, 1.50)
602
[465]603<DT>Update archived file treatment<DD>
604Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
605of hexidecimal digits, as is now done in EXPEDT, GENLES,...
606Archived files can now be read directly in Windows & Unix.
607(10/2001, 1.49)
608
[455]609<DT>Import coordinates from EXP files<DD>
610A .EXP or .Oxx file is selected (as well as a phase,
611if more than one is present) and the coordinates are imported into
612the current experiment file.
613(10/2001, 1.48)
614
[486]615<DT>Web help<DD>
616Fix -NT & -2000 bug in bringing up web pages
617
[438]618<DT>Dummy Histograms<DD>
619Dummy histograms are used to simulate powder diffraction patterns.
620It is now possible to set them up in EXPEDT using the "add histogram"
621button.
[455]622(9/2001, 1.47)
[438]623
[241]624<DT>
[438]625Histogram flags
626<DD>
627The use/do not use flag for histograms can now be set using a button
[863]628on the histogram panel.
[455]629(9/2001, 1.47)
[438]630
631<DT>
[432]632Excluded region/Data limits editor
633<DD>
[438]634This allows the range of data to be included in the refinement
635to be selected graphically.
[455]636(9/2001, 1.46)
[432]637
638<DT>
639Adjustable screen font selection
640<DD>
[438]641Font size can now be selected from a menu. Convenient, as well as
642perhaps improving on utility for folks with visual disabilities.
[432]643The customization discussion in expgui_cfg.html
644now tells how to do override the default families & relative sizes.
[455]645(9/2001, 1.46)
[432]646
647<DT>
[407]648Add Marquardt damping, LeBail damping to GUI
649<DD>
[863]650These parameters are on "LS Controls" panel, along with
[407]651the convergence parameter. The <a HREF="expgui1.html">documentation for this
[863]652panel</A>
[407]653has also been expanded
[455]654to better explain what these options do. (7/2001, 1.44)
[407]655
656<DT>
657Fixed background points (BKGEDIT)
658<DD>
659Fits a Chebeshev polynomial to a set of fixed points input by a user.
660If need be (not recommended, though) the background points
[455]661can be input to GSAS as fixed background values. (7/2001, 1.44)
[407]662<DT>
663"doc-less" install
664<DD>
665Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
[455]666local system (6/2001, 1.43)
[407]667
668<DT>
669Load archived files (Unix only)
670<DD>
671A convenient way to load archived versions of the .EXP file has been
[455]672added to the EXPNAM command (4/2001, 1.42).
[407]673
674<DT>
675Sort atoms to be added
676<DD>
[455]677A convenient way to sort the atom list (4/2001, 1.42).
[407]678
679<DT>
[345]680WWW links
681<DD>
682Implemented context-sensitive help that brings up web pages
[455]683from local storage. (10/2000, 1.38)
[345]684
685<DT>
[302]686Error reporting
687<DD>
688When an invalid entry is specified, (for example 1..0 is typed, instead
689of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
[863]690flag the error. This only happens for entries on the main panels. For
[302]691entries on modal dialogs (where there a "done" or "keep" button), these
[455]692errors will be reported only when the button is pressed. (10/2000, 1.38)
[302]693
694<DT>
695Import Atoms/Import Phase
696<DD>
[455]697A CIF import routine is now available. (10/2000, 1.38)
[302]698
699<DT>
[308]700"Non-shell" version of EXPGUI
701<DD>
702EXPGUI has two functions, 1) to act as a "shell" that calls the
703various GSAS programs, and 2) to edit the .EXP file. For use with
704MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
705to turn off the "shell" features -- by calling EXPGUI with the argument
706-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
[817]707This mode has not yet been tested and is not expected to
708be needed due to the OS X release. (10/2000, 1.36)
[308]709
710<DT>
711NIST accessibility requirement
712<DD>
713NIST requires that all images in WWW pages have an ALT= tag included.
714This has been done on all the documentation HTML pages, despite the
715fact that (in this case) it adds no new content for anyone.
716
717<DT>
[407]718Change space group/Import from file
[271]719<DD>
720A mechanism where one can specify a new space group, cell,
721and reinput all atoms for the phase (to get site syms correct). One can
722keep the old atoms for the phase or replace them. It is possible
723to do this manually or with a file import capability.
724At present the only file type accepted is
725the .CEL format from PowderCell. New format filters can be "dropped" in
[455]726place. (8/2000, 1.33)
[271]727
728<DT>
729Import Atoms/Import Phase
730<DD>
[407]731This appears on the add atoms & add phase dialogs and draws on the above.
[455]732(8/2000, 1.33)
[271]733
734<DT>
[256]735Transform Atoms
736<DD>
[863]737There is now a "xform atom(s)" button on the phase panel that
[256]738can be used to transform coordinates,
739globally set the occupancy & Uiso and switch atoms between
740iso/aniso and erase selected groups of atoms
[455]741(8/2000, 1.31)
[256]742
743<DT>
[407]744Delete phases
[241]745<DD>
[407]746Work around -- change phase flags on the histogram page (appears when 2+ phases
747present).
[455]748(8/2000, 1.31)
[241]749
750<DT>
[407]751Spherical Harmonic (ODF) Preferred Orientation
[241]752<DD>
[407]753done
[455]754(7/2000, 1.29)
[241]755
[256]756<DT>
757Define background types
758<DD>
759The pull-down background selection menu now shows the names of the
[455]760background functions (7/2000, 1.29)
[241]761
762
[213]763</DL>
[407]764<hr>
765<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
766<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
[519]767</TH><TH><A  Href="revlog.html">Full change log</A>
[407]768</TH></TR></TABLE>
[581]769
[902]770<P>
[581]771<font size=-1><? lastmod(); ?> </font>
[213]772<br>
773$Revision: 971 $ $Date: 2010-03-28 14:19:30 +0000 (Sun, 28 Mar 2010) $
[519]774</blockquote>
[213]775</body>
776</html>
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