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2<head>
3   <title>EXPGUI Wish List</title>
[519]4   <meta name="keywords" content="crystallography, Rietveld, diffraction,
5   GSAS, EXPGUI">
6</HEAD>
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21
[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>
[863]249
[892]250<DT>TOF facilities
251<DD>Improve adding multiple histograms by specifying d-min or Q-max in place
252of tof-min; Allow INSTEDIT to be used for TOF instrument parameter files.
253(4/2006, 1.79)
254<DT>MUSTRPLOT
255<DD>Add micro-strain plotting program to menus.
256(4/2006, 1.79)
257
[871]258<DT>Recomputation of Multiplicities
259<DD>EXPGUI can now recompute the multiplicities for a set of atoms. This can be
260done with a button on the edit atoms page and is automatically done when the
261atoms coordinates are changed with a transformation matrix or an origin shift
262as well as prior to a composition computation.
263(2/2006, 1.78)
264<DT>Bug & Cosmetic Fixes
265<DD>Put GSAS into window title
266<BR>rationalize appearance of some labels fields (histogram heading & history)
267<BR>bug: in global setting of phase fractions & ph. frac. damping
268<BR>prevent use of more than 36 bkg parameters in BKGFIT, since that is all GSAS allows
269<BR>fix bug in 2theta max when adding multiple histograms
270(2/2006, 1.78)
271
[863]272<DT>
273Transform Atoms - Origin 1 -> 2
274<DD>
275The option to transform Origin 1 settings to Origin 2 is now provided
276in the windows raised by th "xform atom(s)" button on the phase panel.
277(9/2005, 1.77)
278
279<DT>
280DRAWxtl Export
281<DD>
282DRAWxtl export has been enhanced to display vectors for magnetic phases
283and to launch DRAWxtl directly.
284(9/2005, 1.77)
285
286<DT>Spherical Harmonic Fix
287<DD>In June 2005, GSAS was changed to allow more spherical harmonic terms
288by renaming the CRSxODF records. EXPGUI now converts old records to the
289new format and can read them.
290(9/2005, 1.77)
291
292<DT>Import coordinates from .EXP file
293<DD>Fix bug introduced when new all-in-one Tcl/Tk package was implemented
294(missing package require Tk).
295(9/2005, 1.77)
296
297<DT>Print from LSTVIEW (Unix only)
298<DD>Selected text can be sent to lpr command
299(3/2005, 1.76)
300
301<DT>Misc fixes from RBVD
302<DD>Fix profile 4 labels, add support for #5, add LS Band control, add
303extra digit to PRNT for extra option, note Pawley phase.
304(3/2005, 1.76)
305
306<DT>Prevent use of Zero & SHFT (+ TRANS) parameters together
307<DD>A common GSAS error is to refine a zero correction together with
308the Bragg-Brentano corrections (SHFT & TRANS). When Zero is refined,
309TRANS & SHFT are now turned off and disabled.
310(3/2005, 1.76)
311
312
[832]313<DT>Cleanup/Bug fixes
314<DD>Require BWidget package; provide a clear error message when not found.
315Fix vector access in liveplot (not broken?) & excledt for BLT2.4z.
316More documentation changes.
317(9/2004, 1.75)
[819]318<DT>Installation/instructions
319<DD>New GSAS/EXPGUI packages have been created for
320all platforms using the new Tcl/Tk starkits.
321The installation instructions for Windows, SGI/Linux & Mac OS X have
322been extensively revised.
[832]323(9/2004, 1.74)
[817]324<DT>WINUTILS
325<DD>EXPGUI now can use the WINUTILS or WINEXEC package to run
326GSAS programs in a COMMAND.COM window on Windows-95/-98 and -ME.
327This was needed to update to a newer Tcl/Tk release that fixes
328a hang in -XP. Note that WINUTILS & WINEXEC are not used
329in -NT/-2000/-XP.
330Also, misc "package require" etc. to use Tcl/Tk Starkit (all platforms).
331(9/2004, 1.74)
332<DT>Coordinate export to DRAWXTL
333<DD>new export routine creates a .STR file for the
334very nice
[892]335<A HREF="http://www.lwfinger.net/drawxtl/">DRAWXTL</A> visualization program.
[817]336(9/2004, 1.74)
337<DT>Coordinate export to CIF
338<DD>new export routine creates a bare-bones CIF file with coordinates
339for a phase.
340(9/2004, 1.73)
341<DT>Fix non-ASCII character bug
342<DD>A bug was fixed that previously allowed EXPGUI to place
343non-ASCII characters into a .EXP file. GSAS could not read these files.
344This may not address every possible way this could happen (I was bit
345by this before, see note on v1.64), but should catch a lot more of these
346problems.
347(9/2004, 1.73)
348
[816]349<DT>zoom fixes for BLT2.4z
350<DD>BLT 2.4z changes, yet again the binding for zooming; EXCLEDT & BKGEDIT
351were updated to address this. The best cure for this is probably to not
352use the mouse buttons for other purposes.
353(5/2004, 1.72)
354<DT>LIVEPLOT ignore bad element attributes
355<DD>if a bad color value, etc. was saved for liveplot, the program would
356not start; this has been fixed.
357(5/2004, 1.72)
358<DT>Open Console
359<DD>An "open console" command has been added to the help menu in EXPGUI,
360LSTVIEW, LIVEPLOT, BKGFIT, WIDPLT & ABSPLT to help with debugging
361(5/2004, 1.72)
362
363<DT>Misc bug fixes (from Lachlan)
364<DD>make sure initial alpha1:2 ratio is 0.5 not 0.0; fix INSTEDIT none button;
365save changes before BKGEDIT.
366(5/2004, 1.71)
[863]367<DT>LIVEPLOT
[789]368<DD>Add (obs-calc)/sigma plotting to LIVEPLOT
[863]369<BR>Use arrow keys to move zoom region around (convenient!)
[789]370(4/2004, 1.71)
371<DT>Fox export
372<DD>Flag origin 2 space groups for FOX XML output
373(4/2004, 1.71)
374<DT>INSTEDIT bug
375<DD>Add ITYP line to instrument parameter file
376(4/2004, 1.71)
377<DT>Scan plot zoom
378<DD>The zoom region in LIVEPLOT, EXCLEDT & BKGEDIT can be moved around
379with the arrow keys (convenient!)
380(4/2004, 1.71)
[765]381
[789]382<DT>Customization for OS X
383<DD>On OS X, EXPGUI will set app & define icon for .EXP files
384(1/2004, 1.69)
[765]385
[789]386<DT>CIF updates
387<DD>Update CIF codes to use different indexing scheme for dictionaries
388(12/2003, 1.68)
389
[765]390<DT>reflection mark bug in excledt
391<DD>Fix edit broken close button for edit reflection marks in excledt; remove
392unneeded phases from option list; implement reflection mark shortcuts [press
3931 for phase 1,...]
394(12/2003, 1.65)
395
396<DT>Fix "Chinese date bug"
397<DD>Windows computers set to operate with Chinese inserted timezone reference
398into .EXP history record with chinese characters; this made .EXP file invalid
399within GSAS. The time zone is no longer recorded.
400(11/2003, 1.64)
401
402<DT>Change "Use new name" for archived .EXP files
403<DD>If you are reloading an archived .EXP file, you can copy it to be the
404latest version of the current .EXP file, or supply a new name. Previously,
405it saved the current file under a new name -- what was I thinking then?
406(11/2003, 1.64)
407
408<DT>OS X compatible
409<DD>This version of EXPGUI runs under Macintosh OS X(!)
410(11/2003, 1.64)
411
[736]412<DT>Add Multiple Histograms
413<DD>This option allows two or more "banks" of data to be read in a single
414pass for use with multibank diffractometers
415(8/2003, 1.62)
416
417<P>
[711]418<DT>Instrument parameter file editor
419<DD>This is used to modify and create instrument parameter files
420(5/2003, 1.61)
[432]421
[736]422<DT>Absorption correction big fix.
423<DD>The problem where a change made by EXPGUI causes EXPEDT to garble
424the ABSCOR record has been located and fixed, finally. Thanks are due to
425detailed bug reports from 3 different people, so that this bug could be
426tracked down!
[711]427(5/2003, 1.61)
428
429
430<DT>Change .gsas_config to c:\gsas.config on windows
431<DD>The name ~/.gsas_config makes sense in UNIX but is clumsy in Windows
432(5/2003, 1.61)
433
434<DT>LIVEPLOT export
435<DD>Liveplot now exports data to FOX and .CSV files (to produce publication
436quality graphics).
437(4/2003, 1.60)
438
439<DT>Export to FOX
440<DD>EXPGUI can now export coordinates & raw data to FOX
[765]441(Free Objects for Xtallography, objcryst.sourceforge.net)
[711]442via XML.
443(9/2002, 1.58) & 
444(4/2003, 1.60)
445
446<DT>TOF bug fixes, POWPREF nagging
447<DD>The "add histogram", EXCLEDT and BKGEDIT sections were reworked to
448correct errors in handling TOF datasets. EXPGUI flags changes that
449would require POWPREF to be run before GENLES and warns if POWPREF is not
450run.
451(4/2003, 1.60)
452
[653]453<DT>GSAS2CIF, FillCIF & CIFSelect
454<DD>The GSAS2CIF program has been rewritten, the FillCIF utility
455has been created to edit the new CIF templates
456and the new CIFSelect utility is provided to edit distance & angle publication
457flags. A new <a href="gsas2cif.html">GSAS2CIF web page</A> has been created to describe the process.
458(9/2002, 1.58)
[613]459
[653]460
461<DT>Fix profile constraint bug
462<DD>Profile constraints now must have a histogram & phase selected;
463defaults are used, where appropriate.
464(9/2002, 1.58)
465
[613]466<DT>Profile Constraint bug fixes
467<DD>The cancel button is fixed & the continue button for new constraints
468works only when 1 or more terms are selected.
469(7/2002, 1.56)
470
[581]471<DT>Show cursor position in LIVEPLOT
472<DD>Cursor position can optionally be displayed in LIVEPLOT/BKGEDIT
473(press "L" for live cursor).
474(2/2002, 1.55)
475
476<DT>Bug fixes
477<DD>Fix bugs: reading of spacegroup in CIFs, large .LST files in LSTVIEW
478(2/2002, 1.55)
479
[555]480<DT>Absorption/Reflection Correction
[863]481<DD>A new box has been added to the histogram panel to control
[555]482the absorption parameters.
483(1/2002, 1.55)
484
[525]485<DT>Coordinate Import/Export
486<DD>Export formats can now be added at run-time by writing
487export_*.tcl files. Export to MSI .xtl, SHELX & Platon .spf files
[546]488is now supported.
489<BR>
490Import from .xtl & .spf (PLATON) files. For
491.xtl import, automatically shift Origin 1 to origin 2.
492<BR>
493Better translation/checking of space group names on import. Space groups are
494better checked against spacegroup.ref in import_cif.tcl as was added
495to import_spf.tcl & import_xtl.tcl.
[525]496(1/2002, 1.54)
497
498<DT>Support macromolecular phases.
499<DD>mm phases can be edited on phase panel & a mm constraints
[546]500sub-panel has been added. Also add programs ramafit & gsas2pdb to menus.
[525]501(1/2002, 1.54)
502
503<DT>ABSPLT
504<DD>Display absorption/reflectivity correction
505(new program).
506(1/2002, 1.54)
507
508<DT>BKGEDIT
509<DD>fit terms using linear least squares. Background
[546]510functions 1-6 now are implemented. Colors/symbol size a little nicer.
[525]511(1/2002, 1.54)
512
513<DT>LIVEPLOT
514<DD>Cycle through histograms with the "N" keyboard key.
[546]515<BR>
516Optionally Label tickmarks by phase name & edit phase label on
517the edit tickmarks menu.
518<BR>
[525]519Plots can now be exported to GRACE (aka xmgr) to
520produce publication-quality graphics. A similar
521feature for a Windows program,
522preferably a common and not overly expensive (at least for academic users),
523if one can be found that accepts ASCII command files.
524(1/2002, 1.54)
525
526<DT>LSTVIEW enhancements<DD>
527LSTVIEW can now be used to plot R-factors as a function of the
528cycle number. If the summary of shifts output option is on,
529the ratio of shifts to standard uncertainty can also be plotted.
[546]530<BR>
[525]531LSTVIEW can also delete some or all of the .LST file contents.
[546]532<BR>
[525]533Minor bugs were also corrected.
534(1/2002, 1.54)
535
[519]536<DT>Bug fixes<DD>
537Put Edit Excluded Regions button back; Allow D as an element type; bkgedit
538with old BLT versions; manual zoom reset; saveas error;
[525]539(12/2001, 1.53)
[519]540
[525]541<DT>EXP info<DD>
[519]542Display R-factors, etc. in .EXP file open dialog.
543(12/2001, 1.52)
544
545<DT>Histogram Flags<DD>
[486]546Histogram flags can be set for all types of histograms.
547(11/2001, 1.51)
548
549<DT>Dummy Histograms<DD>
550Dummy histogram ranges can now be changed in the EXCLEDT routine.
551(11/2001, 1.50)
552
553<DT>
554Excluded region/Data limits editor
555<DD>
556Major rewrite to make compatible with Win-9x & add dummy histogram support
557(11/2001, 1.50)
558
559<DT>LIVEPLOT, BKGEDIT & EXCLEDT
560<DD>new features: manual zoom (z key) and cycle between histograms
561(n key)
562(11/2001, 1.50)
563
[465]564<DT>Update archived file treatment<DD>
565Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
566of hexidecimal digits, as is now done in EXPEDT, GENLES,...
567Archived files can now be read directly in Windows & Unix.
568(10/2001, 1.49)
569
[455]570<DT>Import coordinates from EXP files<DD>
571A .EXP or .Oxx file is selected (as well as a phase,
572if more than one is present) and the coordinates are imported into
573the current experiment file.
574(10/2001, 1.48)
575
[486]576<DT>Web help<DD>
577Fix -NT & -2000 bug in bringing up web pages
578
[438]579<DT>Dummy Histograms<DD>
580Dummy histograms are used to simulate powder diffraction patterns.
581It is now possible to set them up in EXPEDT using the "add histogram"
582button.
[455]583(9/2001, 1.47)
[438]584
[241]585<DT>
[438]586Histogram flags
587<DD>
588The use/do not use flag for histograms can now be set using a button
[863]589on the histogram panel.
[455]590(9/2001, 1.47)
[438]591
592<DT>
[432]593Excluded region/Data limits editor
594<DD>
[438]595This allows the range of data to be included in the refinement
596to be selected graphically.
[455]597(9/2001, 1.46)
[432]598
599<DT>
600Adjustable screen font selection
601<DD>
[438]602Font size can now be selected from a menu. Convenient, as well as
603perhaps improving on utility for folks with visual disabilities.
[432]604The customization discussion in expgui_cfg.html
605now tells how to do override the default families & relative sizes.
[455]606(9/2001, 1.46)
[432]607
608<DT>
[407]609Add Marquardt damping, LeBail damping to GUI
610<DD>
[863]611These parameters are on "LS Controls" panel, along with
[407]612the convergence parameter. The <a HREF="expgui1.html">documentation for this
[863]613panel</A>
[407]614has also been expanded
[455]615to better explain what these options do. (7/2001, 1.44)
[407]616
617<DT>
618Fixed background points (BKGEDIT)
619<DD>
620Fits a Chebeshev polynomial to a set of fixed points input by a user.
621If need be (not recommended, though) the background points
[455]622can be input to GSAS as fixed background values. (7/2001, 1.44)
[407]623<DT>
624"doc-less" install
625<DD>
626Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
[455]627local system (6/2001, 1.43)
[407]628
629<DT>
630Load archived files (Unix only)
631<DD>
632A convenient way to load archived versions of the .EXP file has been
[455]633added to the EXPNAM command (4/2001, 1.42).
[407]634
635<DT>
636Sort atoms to be added
637<DD>
[455]638A convenient way to sort the atom list (4/2001, 1.42).
[407]639
640<DT>
[345]641WWW links
642<DD>
643Implemented context-sensitive help that brings up web pages
[455]644from local storage. (10/2000, 1.38)
[345]645
646<DT>
[302]647Error reporting
648<DD>
649When an invalid entry is specified, (for example 1..0 is typed, instead
650of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
[863]651flag the error. This only happens for entries on the main panels. For
[302]652entries on modal dialogs (where there a "done" or "keep" button), these
[455]653errors will be reported only when the button is pressed. (10/2000, 1.38)
[302]654
655<DT>
656Import Atoms/Import Phase
657<DD>
[455]658A CIF import routine is now available. (10/2000, 1.38)
[302]659
660<DT>
[308]661"Non-shell" version of EXPGUI
662<DD>
663EXPGUI has two functions, 1) to act as a "shell" that calls the
664various GSAS programs, and 2) to edit the .EXP file. For use with
665MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
666to turn off the "shell" features -- by calling EXPGUI with the argument
667-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
[817]668This mode has not yet been tested and is not expected to
669be needed due to the OS X release. (10/2000, 1.36)
[308]670
671<DT>
672NIST accessibility requirement
673<DD>
674NIST requires that all images in WWW pages have an ALT= tag included.
675This has been done on all the documentation HTML pages, despite the
676fact that (in this case) it adds no new content for anyone.
677
678<DT>
[407]679Change space group/Import from file
[271]680<DD>
681A mechanism where one can specify a new space group, cell,
682and reinput all atoms for the phase (to get site syms correct). One can
683keep the old atoms for the phase or replace them. It is possible
684to do this manually or with a file import capability.
685At present the only file type accepted is
686the .CEL format from PowderCell. New format filters can be "dropped" in
[455]687place. (8/2000, 1.33)
[271]688
689<DT>
690Import Atoms/Import Phase
691<DD>
[407]692This appears on the add atoms & add phase dialogs and draws on the above.
[455]693(8/2000, 1.33)
[271]694
695<DT>
[256]696Transform Atoms
697<DD>
[863]698There is now a "xform atom(s)" button on the phase panel that
[256]699can be used to transform coordinates,
700globally set the occupancy & Uiso and switch atoms between
701iso/aniso and erase selected groups of atoms
[455]702(8/2000, 1.31)
[256]703
704<DT>
[407]705Delete phases
[241]706<DD>
[407]707Work around -- change phase flags on the histogram page (appears when 2+ phases
708present).
[455]709(8/2000, 1.31)
[241]710
711<DT>
[407]712Spherical Harmonic (ODF) Preferred Orientation
[241]713<DD>
[407]714done
[455]715(7/2000, 1.29)
[241]716
[256]717<DT>
718Define background types
719<DD>
720The pull-down background selection menu now shows the names of the
[455]721background functions (7/2000, 1.29)
[241]722
723
[213]724</DL>
[407]725<hr>
726<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
727<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
[519]728</TH><TH><A  Href="revlog.html">Full change log</A>
[407]729</TH></TR></TABLE>
[581]730
[902]731<P>
[581]732<font size=-1><? lastmod(); ?> </font>
[213]733<br>
734$Revision: 930 $ $Date: 2009-12-04 23:14:35 +0000 (Fri, 04 Dec 2009) $
[519]735</blockquote>
[213]736</body>
737</html>
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