source: trunk/doc/wishlist.html

Last change on this file was 1225, checked in by toby, 8 years ago

update to latest, with Fourier & f'/f

  • Property svn:keywords set to Author Date Revision Id
  • Property svn:mime-type set to text/html
File size: 24.9 KB
Line 
1<html>
2<head>
3   <title>EXPGUI Wish List</title>
4   <meta name="keywords" content="crystallography, Rietveld, diffraction,
5   GSAS, EXPGUI">
6</HEAD>
7<style>
8A:link {text-decoration:none}
9A:vlink {text-decoration:none}
10</style>
11
12<BODY BGCOLOR="#FFFFFF"
13      topmargin="0" leftmargin="0" marginwidth="0" marginheight="0" 
14      text="#000000" link="#0033ff" vlink="#0033ff" alink="#0033ff">
15
16<?
17   include("/var/www/include/navigation.inc");
18   include("/var/www/include/utility.inc");
19?>
20<blockquote><font face="arial, helvetica, sans-serif">
21
22<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
23<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
24</TH><TH><A  Href="revlog.html">Full change log</A> 
25</TH></TR></TABLE><BR CLEAR=ALL>
26
27<center><h1>
28<HR noshade width="75%" size="2" align="center">
29EXPGUI Wish List<BR>
30New Features Completed, In Progress, Planned, or Requested
31<HR noshade width="75%" size="2" align="center">
32</h1></center>
33<I><blockquote><blockquote>
34Information on desired (and completed) development tasks for EXPGUI
35are now captured as "Tickets" in the
36    <A HREF="https://subversion.xray.aps.anl.gov/trac/EXPGUI/">
37EXPGUI Trac system</A>. In particular, see the
38    <A HREF="https://subversion.xray.aps.anl.gov/trac/EXPGUI/timeline">
39    timeline of changes</A> and the
40   <A HREF="https://subversion.xray.aps.anl.gov/trac/EXPGUI/report">
41    reports on Tickets</A>. Any other information on this page is no
42longer being updated -- though there are still some good ideas for
43development here.
44</blockquote></blockquote></I>
45<P>
46<hr><hr>
47
48
49<P>
50This page describes recent features added to EXPGUI or that are being
51considered for addition.
52See the <A HREF="expgui.html">EXPGUI documentation</A> for a description of
53the current features and see <A HREF="revlog.html">the EXPGUI Revision log</A>
54for a complete list of all changes for the source files.
55
56<H2>Requested EXPGUI improvements</H2><DL>
57The suggested improvements obtained from EXPGUI users are listed here.
58Prioritization is based in part on input from users, from back when
59EXPGUI development was supported by NIST via ATP intramural program.
60At present EXPGUI development is progressing slowly, since the work
61is not funded.
62<P>
63In the list below, dates for requests are noted in parenthesis when known.
64Additional suggestions and input on priorities are welcome; send them to
65the author of EXPGUI,
66<a href="mailto:brian.toby@anl.gov?subject=EXPGUI suggestions">Brian.Toby@ANL.GOV</a>
67<H3>Requests, 2002-</H3><DL>
68<UL>
69<LI> Add ability to use d-min or Q-max when adding multiple histograms
70(2/06) <font color=red>(done, 3/06)</font>
71<LI> Add ability to use INSTEDIT for TOF datasets; grab TOF profiles & DIFA/C
72from .EXP file
73(2/06) <font color=red>(done, 3/06)</font>
74<LI> Set up simple magnetic refinements (5/03)
75<LI> Save window sizes & placement information (4/03)
76<LI> Fix a coordinate for origin definition (4/03)
77<LI> Change .gsas_config to gsas.config for Windows (3/03)
78<font color=red>(done, 5/03)</font>
79<LI> Warn to run POWPREF after adding phases, histograms,
80changing phase or histogram flags (profile?) (2/03)
81<font color=red>(done, 4/03)</font>
82
83<LI> Improve ability to add multibank histograms in one swell foop (2/03)
84<font color=red>(done, 8/03)</font>
85
86<LI> Export diffraction data to FOX (2/03)
87<font color=red>(done, 4/03)</font>
88
89<LI> Mac OS X support (1/03)
90<font color=red>(done, 11/03)</font>
91
92<LI> Support Fourier map export for FOX (1/03)
93<font color=red>(to appear as export option in FORPLOT)</font>
94
95<LI> Add support for WINUTILS
96   (see http://prdownloads.sourceforge.net/tomasoft/ and
97   http://sourceforge.net/project/showfiles.php?group_id=1616)
98as an alternative to WINEXEC
99<font color=red>(done, 9/04)</font>
100
101<LI> Adding Profile constraints -- dummy out profile functions that are not present (7/02)
102
103<LI> Update LSTVIEW plots with latest refinements results (7/02)
104
105<LI> Allow setting the "anisotropic broadening axis" for sfec, ptec,... (7/02)
106
107<LI> Display Rwp in LSTVIEW & EXPGUI (7/02)
108
109<LI> Allow setting up DISAGL controls; in particular flag for inclusion
110of Fourier peaks [EXPEDT: K D D F] (7/02)
111
112<LI> Least Squares options: atom shift limits [enable/disable] (5/02)
113
114<LI> Edit histogram weighting factors (5/02)
115
116<LI> Least Squares options commonly needed for single crystal work (3/02)
117<OL>
118<LI> F   - Change minimization function
119<LI> N n - Lower D-spacing limit
120<LI> R   - Change the weight modification flag, Robust
121<LI> S n - Set a Lower I/SigI cut-off in RFN-F
122<LI> W n - Refinement weight option "n"
123</OL>
124
125<LI> List single crystal histograms; useful options/parameters are:
126use/ignore flag, scale factor, damping & refinement flag (3/02)
127
128<LI> Show cursor position in Liveplot (1/02)
129<font color=red>(done)</font>
130
131<LI> Label LIVEPLOT phase by phase name (1/02)
132<font color=red>(done)</font>
133</UL>
134</DL>
135<H3>Requests, 2001 and before</H3><DL>
136<H4>
137Highest
138Priority</h4><UL>
139
140<LI> graphical excluded region editing
141<font color=red>(done)</font>
142
143<LI> Fixed background editor; fit a Chebeschev polynomial to
144        selected background points
145<font color=red>(done)</font>
146
147<LI> import coordinates from EXP files
148<font color=red>(done)</font>
149
150<LI> import coordinates from .xtl files
151<font color=red>(done)</font>
152
153<LI> import coordinates from Platon (.spf) files
154<font color=red>(done)</font>
155
156<LI> support the new archived .EXP files (.Oxx)
157<font color=red>(done)</font>
158
159<LI> Liveplot: look for a valid histogram on startup
160<font color=red>(done)</font>
161
162<LI> support new refinement control options (convergence...)
163<font color=red>(done)</font>
164
165<LI> support histogram flags
166<font color=red>(done)</font>
167
168<LI> Support macromolecular phases
169<font color=red>(done)</font>
170
171</UL><h4>
172Medium
173Priority</h4><UL>
174
175<LI>Grab wavelength from .EXP file in INSTEDIT (F. F. Ferreira, 10/2005).
176
177<LI> support histogram flags for non-powder
178(single xtal & soft-constraint) histograms.
179<font color=red>(done)</font>
180
181<LI> Support dummy histograms for powder simulations
182<font color=red>(done)</font>
183
184<LI> Revisit GSAS2CIF to export results to CIF
185<font color=red>(done)</font>
186
187<LI> Show status information (R-factors & dates) from selected .EXP files & 
188.Oxx files
189<font color=red>(done)</font>
190
191<LI> Rework coordinate export interface
192<font color=red>(done)</font>
193
194<LI>Support more coordinate export formats (.SPF & SHELX for Platon & CrystalMaker)
195<font color=red>(done)</font>
196
197<LI> Support dummy histograms in EXCLEDT
198<font color=red>(done)</font>
199
200<LI> Plot absorption corrections (11/01)
201<font color=red>(done)</font>
202
203<LI> Delete .LST flags in lstview (12/01)
204<font color=red>(done)</font>
205
206<LI> Add GUI support for bond-distance soft constraints
207[a major project]
208
209<LI> "finalplot" program for publication-quality output
210
211<LI> Import diffraction data from CIFs
212
213<LI> Fourier Transform interface,
214perhaps with two parts: set up options for map computing and at some
215point later think about map viewing options.
216
217</UL><h4>
218Low
219Priority</h4><UL>
220
221<LI> "save as" for DISAGL output
222<font color=red>(done)</font>
223
224<LI> log/graph parameter shifts vs cycle
225<font color=red>(done)</font>
226
227<LI> instrument parameter file editor
228<font color=red>(done, 5/03)</font>
229
230<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
231        from another .EXP file
232
233<LI> import from other .EXP:  Preferred orientation, Restraints, Constraints...
234
235<LI> export Le Bail reflection intensities to SHELX & EXPO formats
236
237<LI> "wizard" that would lead new users through the steps of
238        setting up a refinement. This may be hard to do well, but ideas
239        are solicited.
240
241</UL><h4>
242Not Planned
243</h4><UL>
244
245<LI> Shelx style disagl output
246<font color=red>(done, <a href="gsas2cif.html#cifselect">see CIFSelect</a>)</font>
247
248<LI> point & click GUI-Forplot
249
250<LI> save plot as metafile
251
252</UL>
253<hr>
254</DL>
255
256<a name="WhatsNew"></a>
257<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
258Additional features & fixes added to EXPGUI since mid-2000 are listed here,
259with an approximate date the features were added and the EXPGUI version
260where the feature was added. This list includes only the more significant
261changes.
262For a complete list of all changes for the source files
263see <A HREF="revlog.html">the EXPGUI Revision log.</A>
264<P>
265<DT>Import pdCIF data
266<DD>EXPGUI can now read powder CIF data and rewrite it as
267  GSAS .fxye (1 line per file) data. For CW data only.
268(4/2006, 1.83)
269<DT>DISAGL export
270<DD>Add button to select distances from 1 phase and copy to Windows clipboard
271  to interface with Andrew Will's VaList program (not yet tested).
272(4/2006, 1.83)
273<DT>Bug fixes & cleanup
274<DD>Bugs in EXCLEDT, Import Atoms, etc; relabel many buttons for better
275  consistency and to be more conventional.
276(4/2006, 1.83)
277<DT>EXPGUI macros added
278<DD>EXPGUI can record nearly all actions into a macro file. The macro file
279  can be "replayed" to repeat those actions on a new experiment. Macro
280  files can replayed a line at a time or can be executed all at once.
281  Tcl commands
282  can be introduced into a macro file so that programming can be done
283  with macro files. Misc changes to suit this such as turn of prompt when
284  running GSAS programs; run GSAS programs w/o terminal windows.
285(4/2006, 1.82)
286<DT>User error checking
287<DD>Check for final R in space group name for R space groups in
288  rhombohedral settings.
289(4/2006, 1.82)
290<DT>Lattice parameter entry
291<DD>Unit cell type now constrains the number of lattice parameters that can be
292  entered.
293(4/2006, 1.82)
294<DT>Import diffractometer constants
295<DD>Diffractometer constants can be read from a GSAS .EXP file into INSTEDIT.
296(4/2006, 1.82)
297<DT>Minor changes
298<DD>fix grace export, spelling on convergence, warn on windows if COMSPEC
299  (cmd.exe location) is not defined.
300(4/2006, 1.81)
301<DT>Minor changes
302<DD>Add gsas2map, remove now defunct background #3, fix Q conversion in background
303(4/2006, 1.80)
304
305<DT>TOF facilities
306<DD>Improve adding multiple histograms by specifying d-min or Q-max in place
307of tof-min; Allow INSTEDIT to be used for TOF instrument parameter files.
308(4/2006, 1.79)
309<DT>MUSTRPLOT
310<DD>Add micro-strain plotting program to menus.
311(4/2006, 1.79)
312
313<DT>Recomputation of Multiplicities
314<DD>EXPGUI can now recompute the multiplicities for a set of atoms. This can be
315done with a button on the edit atoms page and is automatically done when the
316atoms coordinates are changed with a transformation matrix or an origin shift
317as well as prior to a composition computation.
318(2/2006, 1.78)
319<DT>Bug & Cosmetic Fixes
320<DD>Put GSAS into window title
321<BR>rationalize appearance of some labels fields (histogram heading & history)
322<BR>bug: in global setting of phase fractions & ph. frac. damping
323<BR>prevent use of more than 36 bkg parameters in BKGFIT, since that is all GSAS allows
324<BR>fix bug in 2theta max when adding multiple histograms
325(2/2006, 1.78)
326
327<DT>
328Transform Atoms - Origin 1 -> 2
329<DD>
330The option to transform Origin 1 settings to Origin 2 is now provided
331in the windows raised by th "xform atom(s)" button on the phase panel.
332(9/2005, 1.77)
333
334<DT>
335DRAWxtl Export
336<DD>
337DRAWxtl export has been enhanced to display vectors for magnetic phases
338and to launch DRAWxtl directly.
339(9/2005, 1.77)
340
341<DT>Spherical Harmonic Fix
342<DD>In June 2005, GSAS was changed to allow more spherical harmonic terms
343by renaming the CRSxODF records. EXPGUI now converts old records to the
344new format and can read them.
345(9/2005, 1.77)
346
347<DT>Import coordinates from .EXP file
348<DD>Fix bug introduced when new all-in-one Tcl/Tk package was implemented
349(missing package require Tk).
350(9/2005, 1.77)
351
352<DT>Print from LSTVIEW (Unix only)
353<DD>Selected text can be sent to lpr command
354(3/2005, 1.76)
355
356<DT>Misc fixes from RBVD
357<DD>Fix profile 4 labels, add support for #5, add LS Band control, add
358extra digit to PRNT for extra option, note Pawley phase.
359(3/2005, 1.76)
360
361<DT>Prevent use of Zero & SHFT (+ TRANS) parameters together
362<DD>A common GSAS error is to refine a zero correction together with
363the Bragg-Brentano corrections (SHFT & TRANS). When Zero is refined,
364TRANS & SHFT are now turned off and disabled.
365(3/2005, 1.76)
366
367
368<DT>Cleanup/Bug fixes
369<DD>Require BWidget package; provide a clear error message when not found.
370Fix vector access in liveplot (not broken?) & excledt for BLT2.4z.
371More documentation changes.
372(9/2004, 1.75)
373<DT>Installation/instructions
374<DD>New GSAS/EXPGUI packages have been created for
375all platforms using the new Tcl/Tk starkits.
376The installation instructions for Windows, SGI/Linux & Mac OS X have
377been extensively revised.
378(9/2004, 1.74)
379<DT>WINUTILS
380<DD>EXPGUI now can use the WINUTILS or WINEXEC package to run
381GSAS programs in a COMMAND.COM window on Windows-95/-98 and -ME.
382This was needed to update to a newer Tcl/Tk release that fixes
383a hang in -XP. Note that WINUTILS & WINEXEC are not used
384in -NT/-2000/-XP.
385Also, misc "package require" etc. to use Tcl/Tk Starkit (all platforms).
386(9/2004, 1.74)
387<DT>Coordinate export to DRAWXTL
388<DD>new export routine creates a .STR file for the
389very nice
390<A HREF="http://www.lwfinger.net/drawxtl/">DRAWXTL</A> visualization program.
391(9/2004, 1.74)
392<DT>Coordinate export to CIF
393<DD>new export routine creates a bare-bones CIF file with coordinates
394for a phase.
395(9/2004, 1.73)
396<DT>Fix non-ASCII character bug
397<DD>A bug was fixed that previously allowed EXPGUI to place
398non-ASCII characters into a .EXP file. GSAS could not read these files.
399This may not address every possible way this could happen (I was bit
400by this before, see note on v1.64), but should catch a lot more of these
401problems.
402(9/2004, 1.73)
403
404<DT>zoom fixes for BLT2.4z
405<DD>BLT 2.4z changes, yet again the binding for zooming; EXCLEDT & BKGEDIT
406were updated to address this. The best cure for this is probably to not
407use the mouse buttons for other purposes.
408(5/2004, 1.72)
409<DT>LIVEPLOT ignore bad element attributes
410<DD>if a bad color value, etc. was saved for liveplot, the program would
411not start; this has been fixed.
412(5/2004, 1.72)
413<DT>Open Console
414<DD>An "open console" command has been added to the help menu in EXPGUI,
415LSTVIEW, LIVEPLOT, BKGFIT, WIDPLT & ABSPLT to help with debugging
416(5/2004, 1.72)
417
418<DT>Misc bug fixes (from Lachlan)
419<DD>make sure initial alpha1:2 ratio is 0.5 not 0.0; fix INSTEDIT none button;
420save changes before BKGEDIT.
421(5/2004, 1.71)
422<DT>LIVEPLOT
423<DD>Add (obs-calc)/sigma plotting to LIVEPLOT
424<BR>Use arrow keys to move zoom region around (convenient!)
425(4/2004, 1.71)
426<DT>Fox export
427<DD>Flag origin 2 space groups for FOX XML output
428(4/2004, 1.71)
429<DT>INSTEDIT bug
430<DD>Add ITYP line to instrument parameter file
431(4/2004, 1.71)
432<DT>Scan plot zoom
433<DD>The zoom region in LIVEPLOT, EXCLEDT & BKGEDIT can be moved around
434with the arrow keys (convenient!)
435(4/2004, 1.71)
436
437<DT>Customization for OS X
438<DD>On OS X, EXPGUI will set app & define icon for .EXP files
439(1/2004, 1.69)
440
441<DT>CIF updates
442<DD>Update CIF codes to use different indexing scheme for dictionaries
443(12/2003, 1.68)
444
445<DT>reflection mark bug in excledt
446<DD>Fix edit broken close button for edit reflection marks in excledt; remove
447unneeded phases from option list; implement reflection mark shortcuts [press
4481 for phase 1,...]
449(12/2003, 1.65)
450
451<DT>Fix "Chinese date bug"
452<DD>Windows computers set to operate with Chinese inserted timezone reference
453into .EXP history record with chinese characters; this made .EXP file invalid
454within GSAS. The time zone is no longer recorded.
455(11/2003, 1.64)
456
457<DT>Change "Use new name" for archived .EXP files
458<DD>If you are reloading an archived .EXP file, you can copy it to be the
459latest version of the current .EXP file, or supply a new name. Previously,
460it saved the current file under a new name -- what was I thinking then?
461(11/2003, 1.64)
462
463<DT>OS X compatible
464<DD>This version of EXPGUI runs under Macintosh OS X(!)
465(11/2003, 1.64)
466
467<DT>Add Multiple Histograms
468<DD>This option allows two or more "banks" of data to be read in a single
469pass for use with multibank diffractometers
470(8/2003, 1.62)
471
472<P>
473<DT>Instrument parameter file editor
474<DD>This is used to modify and create instrument parameter files
475(5/2003, 1.61)
476
477<DT>Absorption correction big fix.
478<DD>The problem where a change made by EXPGUI causes EXPEDT to garble
479the ABSCOR record has been located and fixed, finally. Thanks are due to
480detailed bug reports from 3 different people, so that this bug could be
481tracked down!
482(5/2003, 1.61)
483
484
485<DT>Change .gsas_config to c:\gsas.config on windows
486<DD>The name ~/.gsas_config makes sense in UNIX but is clumsy in Windows
487(5/2003, 1.61)
488
489<DT>LIVEPLOT export
490<DD>Liveplot now exports data to FOX and .CSV files (to produce publication
491quality graphics).
492(4/2003, 1.60)
493
494<DT>Export to FOX
495<DD>EXPGUI can now export coordinates & raw data to FOX
496(Free Objects for Xtallography, objcryst.sourceforge.net)
497via XML.
498(9/2002, 1.58) & 
499(4/2003, 1.60)
500
501<DT>TOF bug fixes, POWPREF nagging
502<DD>The "add histogram", EXCLEDT and BKGEDIT sections were reworked to
503correct errors in handling TOF datasets. EXPGUI flags changes that
504would require POWPREF to be run before GENLES and warns if POWPREF is not
505run.
506(4/2003, 1.60)
507
508<DT>GSAS2CIF, FillCIF & CIFSelect
509<DD>The GSAS2CIF program has been rewritten, the FillCIF utility
510has been created to edit the new CIF templates
511and the new CIFSelect utility is provided to edit distance & angle publication
512flags. A new <a href="gsas2cif.html">GSAS2CIF web page</A> has been created to describe the process.
513(9/2002, 1.58)
514
515
516<DT>Fix profile constraint bug
517<DD>Profile constraints now must have a histogram & phase selected;
518defaults are used, where appropriate.
519(9/2002, 1.58)
520
521<DT>Profile Constraint bug fixes
522<DD>The cancel button is fixed & the continue button for new constraints
523works only when 1 or more terms are selected.
524(7/2002, 1.56)
525
526<DT>Show cursor position in LIVEPLOT
527<DD>Cursor position can optionally be displayed in LIVEPLOT/BKGEDIT
528(press "L" for live cursor).
529(2/2002, 1.55)
530
531<DT>Bug fixes
532<DD>Fix bugs: reading of spacegroup in CIFs, large .LST files in LSTVIEW
533(2/2002, 1.55)
534
535<DT>Absorption/Reflection Correction
536<DD>A new box has been added to the histogram panel to control
537the absorption parameters.
538(1/2002, 1.55)
539
540<DT>Coordinate Import/Export
541<DD>Export formats can now be added at run-time by writing
542export_*.tcl files. Export to MSI .xtl, SHELX & Platon .spf files
543is now supported.
544<BR>
545Import from .xtl & .spf (PLATON) files. For
546.xtl import, automatically shift Origin 1 to origin 2.
547<BR>
548Better translation/checking of space group names on import. Space groups are
549better checked against spacegroup.ref in import_cif.tcl as was added
550to import_spf.tcl & import_xtl.tcl.
551(1/2002, 1.54)
552
553<DT>Support macromolecular phases.
554<DD>mm phases can be edited on phase panel & a mm constraints
555sub-panel has been added. Also add programs ramafit & gsas2pdb to menus.
556(1/2002, 1.54)
557
558<DT>ABSPLT
559<DD>Display absorption/reflectivity correction
560(new program).
561(1/2002, 1.54)
562
563<DT>BKGEDIT
564<DD>fit terms using linear least squares. Background
565functions 1-6 now are implemented. Colors/symbol size a little nicer.
566(1/2002, 1.54)
567
568<DT>LIVEPLOT
569<DD>Cycle through histograms with the "N" keyboard key.
570<BR>
571Optionally Label tickmarks by phase name & edit phase label on
572the edit tickmarks menu.
573<BR>
574Plots can now be exported to GRACE (aka xmgr) to
575produce publication-quality graphics. A similar
576feature for a Windows program,
577preferably a common and not overly expensive (at least for academic users),
578if one can be found that accepts ASCII command files.
579(1/2002, 1.54)
580
581<DT>LSTVIEW enhancements<DD>
582LSTVIEW can now be used to plot R-factors as a function of the
583cycle number. If the summary of shifts output option is on,
584the ratio of shifts to standard uncertainty can also be plotted.
585<BR>
586LSTVIEW can also delete some or all of the .LST file contents.
587<BR>
588Minor bugs were also corrected.
589(1/2002, 1.54)
590
591<DT>Bug fixes<DD>
592Put Edit Excluded Regions button back; Allow D as an element type; bkgedit
593with old BLT versions; manual zoom reset; saveas error;
594(12/2001, 1.53)
595
596<DT>EXP info<DD>
597Display R-factors, etc. in .EXP file open dialog.
598(12/2001, 1.52)
599
600<DT>Histogram Flags<DD>
601Histogram flags can be set for all types of histograms.
602(11/2001, 1.51)
603
604<DT>Dummy Histograms<DD>
605Dummy histogram ranges can now be changed in the EXCLEDT routine.
606(11/2001, 1.50)
607
608<DT>
609Excluded region/Data limits editor
610<DD>
611Major rewrite to make compatible with Win-9x & add dummy histogram support
612(11/2001, 1.50)
613
614<DT>LIVEPLOT, BKGEDIT & EXCLEDT
615<DD>new features: manual zoom (z key) and cycle between histograms
616(n key)
617(11/2001, 1.50)
618
619<DT>Update archived file treatment<DD>
620Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
621of hexidecimal digits, as is now done in EXPEDT, GENLES,...
622Archived files can now be read directly in Windows & Unix.
623(10/2001, 1.49)
624
625<DT>Import coordinates from EXP files<DD>
626A .EXP or .Oxx file is selected (as well as a phase,
627if more than one is present) and the coordinates are imported into
628the current experiment file.
629(10/2001, 1.48)
630
631<DT>Web help<DD>
632Fix -NT & -2000 bug in bringing up web pages
633
634<DT>Dummy Histograms<DD>
635Dummy histograms are used to simulate powder diffraction patterns.
636It is now possible to set them up in EXPEDT using the "add histogram"
637button.
638(9/2001, 1.47)
639
640<DT>
641Histogram flags
642<DD>
643The use/do not use flag for histograms can now be set using a button
644on the histogram panel.
645(9/2001, 1.47)
646
647<DT>
648Excluded region/Data limits editor
649<DD>
650This allows the range of data to be included in the refinement
651to be selected graphically.
652(9/2001, 1.46)
653
654<DT>
655Adjustable screen font selection
656<DD>
657Font size can now be selected from a menu. Convenient, as well as
658perhaps improving on utility for folks with visual disabilities.
659The customization discussion in expgui_cfg.html
660now tells how to do override the default families & relative sizes.
661(9/2001, 1.46)
662
663<DT>
664Add Marquardt damping, LeBail damping to GUI
665<DD>
666These parameters are on "LS Controls" panel, along with
667the convergence parameter. The <a HREF="expgui1.html">documentation for this
668panel</A>
669has also been expanded
670to better explain what these options do. (7/2001, 1.44)
671
672<DT>
673Fixed background points (BKGEDIT)
674<DD>
675Fits a Chebeshev polynomial to a set of fixed points input by a user.
676If need be (not recommended, though) the background points
677can be input to GSAS as fixed background values. (7/2001, 1.44)
678<DT>
679"doc-less" install
680<DD>
681Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
682local system (6/2001, 1.43)
683
684<DT>
685Load archived files (Unix only)
686<DD>
687A convenient way to load archived versions of the .EXP file has been
688added to the EXPNAM command (4/2001, 1.42).
689
690<DT>
691Sort atoms to be added
692<DD>
693A convenient way to sort the atom list (4/2001, 1.42).
694
695<DT>
696WWW links
697<DD>
698Implemented context-sensitive help that brings up web pages
699from local storage. (10/2000, 1.38)
700
701<DT>
702Error reporting
703<DD>
704When an invalid entry is specified, (for example 1..0 is typed, instead
705of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
706flag the error. This only happens for entries on the main panels. For
707entries on modal dialogs (where there a "done" or "keep" button), these
708errors will be reported only when the button is pressed. (10/2000, 1.38)
709
710<DT>
711Import Atoms/Import Phase
712<DD>
713A CIF import routine is now available. (10/2000, 1.38)
714
715<DT>
716"Non-shell" version of EXPGUI
717<DD>
718EXPGUI has two functions, 1) to act as a "shell" that calls the
719various GSAS programs, and 2) to edit the .EXP file. For use with
720MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
721to turn off the "shell" features -- by calling EXPGUI with the argument
722-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
723This mode has not yet been tested and is not expected to
724be needed due to the OS X release. (10/2000, 1.36)
725
726<DT>
727NIST accessibility requirement
728<DD>
729NIST requires that all images in WWW pages have an ALT= tag included.
730This has been done on all the documentation HTML pages, despite the
731fact that (in this case) it adds no new content for anyone.
732
733<DT>
734Change space group/Import from file
735<DD>
736A mechanism where one can specify a new space group, cell,
737and reinput all atoms for the phase (to get site syms correct). One can
738keep the old atoms for the phase or replace them. It is possible
739to do this manually or with a file import capability.
740At present the only file type accepted is
741the .CEL format from PowderCell. New format filters can be "dropped" in
742place. (8/2000, 1.33)
743
744<DT>
745Import Atoms/Import Phase
746<DD>
747This appears on the add atoms & add phase dialogs and draws on the above.
748(8/2000, 1.33)
749
750<DT>
751Transform Atoms
752<DD>
753There is now a "xform atom(s)" button on the phase panel that
754can be used to transform coordinates,
755globally set the occupancy & Uiso and switch atoms between
756iso/aniso and erase selected groups of atoms
757(8/2000, 1.31)
758
759<DT>
760Delete phases
761<DD>
762Work around -- change phase flags on the histogram page (appears when 2+ phases
763present).
764(8/2000, 1.31)
765
766<DT>
767Spherical Harmonic (ODF) Preferred Orientation
768<DD>
769done
770(7/2000, 1.29)
771
772<DT>
773Define background types
774<DD>
775The pull-down background selection menu now shows the names of the
776background functions (7/2000, 1.29)
777
778
779</DL>
780<hr>
781<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
782<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
783</TH><TH><A  Href="revlog.html">Full change log</A>
784</TH></TR></TABLE>
785
786<P>
787<font size=-1><? lastmod(); ?> </font>
788<br>
789$Revision: 1225 $ $Date: 2012-11-08 19:42:25 +0000 (Thu, 08 Nov 2012) $
790</blockquote>
791</body>
792</html>
Note: See TracBrowser for help on using the repository browser.