source: trunk/doc/wishlist.html @ 871

Last change on this file since 871 was 871, checked in by toby, 11 years ago

# on 2006/02/22 01:47:15, toby did:
update 1.78

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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"
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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<P>
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.
39
40<H2>Requested EXPGUI improvements</H2><DL>
41The suggested improvements obtained from EXPGUI users are listed here.
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.
48Additional suggestions and input on priorities are welcome; send them to
49the author of EXPGUI,
50<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
51<H3>Requests, 2002-</H3><DL>
52<UL>
53<LI> Set up simple magnetic refinements (5/03)
54<LI> Save window sizes & placement information (4/03)
55<LI> Fix a coordinate for origin definition (4/03)
56<LI> Change .gsas_config to gsas.config for Windows (3/03)
57<font color=red>(done, 5/03)</font>
58<LI> Warn to run POWPREF after adding phases, histograms,
59changing phase or histogram flags (profile?) (2/03)
60<font color=red>(done, 4/03)</font>
61
62<LI> Improve ability to add multibank histograms in one swell foop (2/03)
63<font color=red>(done, 8/03)</font>
64
65<LI> Export diffraction data to FOX (2/03)
66<font color=red>(done, 4/03)</font>
67
68<LI> Mac OS X support (1/03)
69<font color=red>(testing in progress, 11/03)</font>
70
71<LI> Support Fourier map export for FOX (1/03)
72<font color=red>(to appear as export option in FORPLOT)</font>
73
74<LI> Add support for WINUTILS
75   (see http://prdownloads.sourceforge.net/tomasoft/ and
76   http://sourceforge.net/project/showfiles.php?group_id=1616)
77as an alternative to WINEXEC
78<font color=red>(done, 9/04)</font>
79
80<LI> Adding Profile constraints -- dummy out profile functions that are not present (7/02)
81
82<LI> Update LSTVIEW plots with latest refinements results (7/02)
83
84<LI> Allow setting the "anisotropic broadening axis" for sfec, ptec,... (7/02)
85
86<LI> Display Rwp in LSTVIEW & EXPGUI (7/02)
87
88<LI> Allow setting up DISAGL controls; in particular flag for inclusion
89of Fourier peaks [EXPEDT: K D D F] (7/02)
90
91<LI> Least Squares options: atom shift limits [enable/disable] (5/02)
92
93<LI> Edit histogram weighting factors (5/02)
94
95<LI> Least Squares options commonly needed for single crystal work (3/02)
96<OL>
97<LI> F   - Change minimization function
98<LI> N n - Lower D-spacing limit
99<LI> R   - Change the weight modification flag, Robust
100<LI> S n - Set a Lower I/SigI cut-off in RFN-F
101<LI> W n - Refinement weight option "n"
102</OL>
103
104<LI> List single crystal histograms; useful options/parameters are:
105use/ignore flag, scale factor, damping & refinement flag (3/02)
106
107<LI> Show cursor position in Liveplot (1/02)
108<font color=red>(done)</font>
109
110<LI> Label LIVEPLOT phase by phase name (1/02)
111<font color=red>(done)</font>
112</UL>
113</DL>
114<H3>Requests, 2001 and before</H3><DL>
115<H4>
116Highest
117Priority</h4><UL>
118
119<LI> graphical excluded region editing
120<font color=red>(done)</font>
121
122<LI> Fixed background editor; fit a Chebeschev polynomial to
123        selected background points
124<font color=red>(done)</font>
125
126<LI> import coordinates from EXP files
127<font color=red>(done)</font>
128
129<LI> import coordinates from .xtl files
130<font color=red>(done)</font>
131
132<LI> import coordinates from Platon (.spf) files
133<font color=red>(done)</font>
134
135<LI> support the new archived .EXP files (.Oxx)
136<font color=red>(done)</font>
137
138<LI> Liveplot: look for a valid histogram on startup
139<font color=red>(done)</font>
140
141<LI> support new refinement control options (convergence...)
142<font color=red>(done)</font>
143
144<LI> support histogram flags
145<font color=red>(done)</font>
146
147<LI> Support macromolecular phases
148<font color=red>(done)</font>
149
150</UL><h4>
151Medium
152Priority</h4><UL>
153
154<LI>Grab wavelength from .EXP file in INSTEDIT (F. F. Ferreira, 10/2005).
155
156<LI> support histogram flags for non-powder
157(single xtal & soft-constraint) histograms.
158<font color=red>(done)</font>
159
160<LI> Support dummy histograms for powder simulations
161<font color=red>(done)</font>
162
163<LI> Revisit GSAS2CIF to export results to CIF
164<font color=red>(done)</font>
165
166<LI> Show status information (R-factors & dates) from selected .EXP files & 
167.Oxx files
168<font color=red>(done)</font>
169
170<LI> Rework coordinate export interface
171<font color=red>(done)</font>
172
173<LI>Support more coordinate export formats (.SPF & SHELX for Platon & CrystalMaker)
174<font color=red>(done)</font>
175
176<LI> Support dummy histograms in EXCLEDT
177<font color=red>(done)</font>
178
179<LI> Plot absorption corrections (11/01)
180<font color=red>(done)</font>
181
182<LI> Delete .LST flags in lstview (12/01)
183<font color=red>(done)</font>
184
185<LI> Add GUI support for bond-distance soft constraints
186[a major project]
187
188<LI> "finalplot" program for publication-quality output
189
190<LI> Import diffraction data from CIFs
191
192<LI> Fourier Transform interface,
193perhaps with two parts: set up options for map computing and at some
194point later think about map viewing options.
195
196</UL><h4>
197Low
198Priority</h4><UL>
199
200<LI> "save as" for DISAGL output
201<font color=red>(done)</font>
202
203<LI> log/graph parameter shifts vs cycle
204<font color=red>(done)</font>
205
206<LI> instrument parameter file editor
207<font color=red>(done, 5/03)</font>
208
209<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
210        from another .EXP file
211
212<LI> import from other .EXP:  Preferred orientation, Restraints, Constraints...
213
214<LI> export Le Bail reflection intensities to SHELX & EXPO formats
215
216<LI> "wizard" that would lead new users through the steps of
217        setting up a refinement. This may be hard to do well, but ideas
218        are solicited.
219
220</UL><h4>
221Not Planned
222</h4><UL>
223
224<LI> Shelx style disagl output
225<font color=red>(done, <a href="gsas2cif.html#cifselect">see CIFSelect</a>)</font>
226
227<LI> point & click GUI-Forplot
228
229<LI> save plot as metafile
230
231</UL>
232<hr>
233</DL>
234
235<a name="WhatsNew"></a>
236<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
237Additional features & fixes added to EXPGUI since mid-2000 are listed here,
238with an approximate date the features were added and the EXPGUI version
239where the feature was added. This list includes only the more significant
240changes.
241For a complete list of all changes for the source files
242see <A HREF="revlog.html">the EXPGUI Revision log.</A>
243<P>
244
245<DT>Recomputation of Multiplicities
246<DD>EXPGUI can now recompute the multiplicities for a set of atoms. This can be
247done with a button on the edit atoms page and is automatically done when the
248atoms coordinates are changed with a transformation matrix or an origin shift
249as well as prior to a composition computation.
250(2/2006, 1.78)
251<DT>Bug & Cosmetic Fixes
252<DD>Put GSAS into window title
253<BR>rationalize appearance of some labels fields (histogram heading & history)
254<BR>bug: in global setting of phase fractions & ph. frac. damping
255<BR>prevent use of more than 36 bkg parameters in BKGFIT, since that is all GSAS allows
256<BR>fix bug in 2theta max when adding multiple histograms
257(2/2006, 1.78)
258
259<DT>
260Transform Atoms - Origin 1 -> 2
261<DD>
262The option to transform Origin 1 settings to Origin 2 is now provided
263in the windows raised by th "xform atom(s)" button on the phase panel.
264(9/2005, 1.77)
265
266<DT>
267DRAWxtl Export
268<DD>
269DRAWxtl export has been enhanced to display vectors for magnetic phases
270and to launch DRAWxtl directly.
271(9/2005, 1.77)
272
273<DT>Spherical Harmonic Fix
274<DD>In June 2005, GSAS was changed to allow more spherical harmonic terms
275by renaming the CRSxODF records. EXPGUI now converts old records to the
276new format and can read them.
277(9/2005, 1.77)
278
279<DT>Import coordinates from .EXP file
280<DD>Fix bug introduced when new all-in-one Tcl/Tk package was implemented
281(missing package require Tk).
282(9/2005, 1.77)
283
284<DT>Print from LSTVIEW (Unix only)
285<DD>Selected text can be sent to lpr command
286(3/2005, 1.76)
287
288<DT>Misc fixes from RBVD
289<DD>Fix profile 4 labels, add support for #5, add LS Band control, add
290extra digit to PRNT for extra option, note Pawley phase.
291(3/2005, 1.76)
292
293<DT>Prevent use of Zero & SHFT (+ TRANS) parameters together
294<DD>A common GSAS error is to refine a zero correction together with
295the Bragg-Brentano corrections (SHFT & TRANS). When Zero is refined,
296TRANS & SHFT are now turned off and disabled.
297(3/2005, 1.76)
298
299
300<DT>Cleanup/Bug fixes
301<DD>Require BWidget package; provide a clear error message when not found.
302Fix vector access in liveplot (not broken?) & excledt for BLT2.4z.
303More documentation changes.
304(9/2004, 1.75)
305<DT>Installation/instructions
306<DD>New GSAS/EXPGUI packages have been created for
307all platforms using the new Tcl/Tk starkits.
308The installation instructions for Windows, SGI/Linux & Mac OS X have
309been extensively revised.
310(9/2004, 1.74)
311<DT>WINUTILS
312<DD>EXPGUI now can use the WINUTILS or WINEXEC package to run
313GSAS programs in a COMMAND.COM window on Windows-95/-98 and -ME.
314This was needed to update to a newer Tcl/Tk release that fixes
315a hang in -XP. Note that WINUTILS & WINEXEC are not used
316in -NT/-2000/-XP.
317Also, misc "package require" etc. to use Tcl/Tk Starkit (all platforms).
318(9/2004, 1.74)
319<DT>Coordinate export to DRAWXTL
320<DD>new export routine creates a .STR file for the
321very nice
322<A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=
323http://www.lwfinger.net/drawxtl/">DRAWXTL</A> visualization program.
324(9/2004, 1.74)
325<DT>Coordinate export to CIF
326<DD>new export routine creates a bare-bones CIF file with coordinates
327for a phase.
328(9/2004, 1.73)
329<DT>Fix non-ASCII character bug
330<DD>A bug was fixed that previously allowed EXPGUI to place
331non-ASCII characters into a .EXP file. GSAS could not read these files.
332This may not address every possible way this could happen (I was bit
333by this before, see note on v1.64), but should catch a lot more of these
334problems.
335(9/2004, 1.73)
336
337<DT>zoom fixes for BLT2.4z
338<DD>BLT 2.4z changes, yet again the binding for zooming; EXCLEDT & BKGEDIT
339were updated to address this. The best cure for this is probably to not
340use the mouse buttons for other purposes.
341(5/2004, 1.72)
342<DT>LIVEPLOT ignore bad element attributes
343<DD>if a bad color value, etc. was saved for liveplot, the program would
344not start; this has been fixed.
345(5/2004, 1.72)
346<DT>Open Console
347<DD>An "open console" command has been added to the help menu in EXPGUI,
348LSTVIEW, LIVEPLOT, BKGFIT, WIDPLT & ABSPLT to help with debugging
349(5/2004, 1.72)
350
351<DT>Misc bug fixes (from Lachlan)
352<DD>make sure initial alpha1:2 ratio is 0.5 not 0.0; fix INSTEDIT none button;
353save changes before BKGEDIT.
354(5/2004, 1.71)
355<DT>LIVEPLOT
356<DD>Add (obs-calc)/sigma plotting to LIVEPLOT
357<BR>Use arrow keys to move zoom region around (convenient!)
358(4/2004, 1.71)
359<DT>Fox export
360<DD>Flag origin 2 space groups for FOX XML output
361(4/2004, 1.71)
362<DT>INSTEDIT bug
363<DD>Add ITYP line to instrument parameter file
364(4/2004, 1.71)
365<DT>Scan plot zoom
366<DD>The zoom region in LIVEPLOT, EXCLEDT & BKGEDIT can be moved around
367with the arrow keys (convenient!)
368(4/2004, 1.71)
369
370<DT>Customization for OS X
371<DD>On OS X, EXPGUI will set app & define icon for .EXP files
372(1/2004, 1.69)
373
374<DT>CIF updates
375<DD>Update CIF codes to use different indexing scheme for dictionaries
376(12/2003, 1.68)
377
378<DT>reflection mark bug in excledt
379<DD>Fix edit broken close button for edit reflection marks in excledt; remove
380unneeded phases from option list; implement reflection mark shortcuts [press
3811 for phase 1,...]
382(12/2003, 1.65)
383
384<DT>Fix "Chinese date bug"
385<DD>Windows computers set to operate with Chinese inserted timezone reference
386into .EXP history record with chinese characters; this made .EXP file invalid
387within GSAS. The time zone is no longer recorded.
388(11/2003, 1.64)
389
390<DT>Change "Use new name" for archived .EXP files
391<DD>If you are reloading an archived .EXP file, you can copy it to be the
392latest version of the current .EXP file, or supply a new name. Previously,
393it saved the current file under a new name -- what was I thinking then?
394(11/2003, 1.64)
395
396<DT>OS X compatible
397<DD>This version of EXPGUI runs under Macintosh OS X(!)
398(11/2003, 1.64)
399
400<DT>Add Multiple Histograms
401<DD>This option allows two or more "banks" of data to be read in a single
402pass for use with multibank diffractometers
403(8/2003, 1.62)
404
405<P>
406<DT>Instrument parameter file editor
407<DD>This is used to modify and create instrument parameter files
408(5/2003, 1.61)
409
410<DT>Absorption correction big fix.
411<DD>The problem where a change made by EXPGUI causes EXPEDT to garble
412the ABSCOR record has been located and fixed, finally. Thanks are due to
413detailed bug reports from 3 different people, so that this bug could be
414tracked down!
415(5/2003, 1.61)
416
417
418<DT>Change .gsas_config to c:\gsas.config on windows
419<DD>The name ~/.gsas_config makes sense in UNIX but is clumsy in Windows
420(5/2003, 1.61)
421
422<DT>LIVEPLOT export
423<DD>Liveplot now exports data to FOX and .CSV files (to produce publication
424quality graphics).
425(4/2003, 1.60)
426
427<DT>Export to FOX
428<DD>EXPGUI can now export coordinates & raw data to FOX
429(Free Objects for Xtallography, objcryst.sourceforge.net)
430via XML.
431(9/2002, 1.58) & 
432(4/2003, 1.60)
433
434<DT>TOF bug fixes, POWPREF nagging
435<DD>The "add histogram", EXCLEDT and BKGEDIT sections were reworked to
436correct errors in handling TOF datasets. EXPGUI flags changes that
437would require POWPREF to be run before GENLES and warns if POWPREF is not
438run.
439(4/2003, 1.60)
440
441<DT>GSAS2CIF, FillCIF & CIFSelect
442<DD>The GSAS2CIF program has been rewritten, the FillCIF utility
443has been created to edit the new CIF templates
444and the new CIFSelect utility is provided to edit distance & angle publication
445flags. A new <a href="gsas2cif.html">GSAS2CIF web page</A> has been created to describe the process.
446(9/2002, 1.58)
447
448
449<DT>Fix profile constraint bug
450<DD>Profile constraints now must have a histogram & phase selected;
451defaults are used, where appropriate.
452(9/2002, 1.58)
453
454<DT>Profile Constraint bug fixes
455<DD>The cancel button is fixed & the continue button for new constraints
456works only when 1 or more terms are selected.
457(7/2002, 1.56)
458
459<DT>Show cursor position in LIVEPLOT
460<DD>Cursor position can optionally be displayed in LIVEPLOT/BKGEDIT
461(press "L" for live cursor).
462(2/2002, 1.55)
463
464<DT>Bug fixes
465<DD>Fix bugs: reading of spacegroup in CIFs, large .LST files in LSTVIEW
466(2/2002, 1.55)
467
468<DT>Absorption/Reflection Correction
469<DD>A new box has been added to the histogram panel to control
470the absorption parameters.
471(1/2002, 1.55)
472
473<DT>Coordinate Import/Export
474<DD>Export formats can now be added at run-time by writing
475export_*.tcl files. Export to MSI .xtl, SHELX & Platon .spf files
476is now supported.
477<BR>
478Import from .xtl & .spf (PLATON) files. For
479.xtl import, automatically shift Origin 1 to origin 2.
480<BR>
481Better translation/checking of space group names on import. Space groups are
482better checked against spacegroup.ref in import_cif.tcl as was added
483to import_spf.tcl & import_xtl.tcl.
484(1/2002, 1.54)
485
486<DT>Support macromolecular phases.
487<DD>mm phases can be edited on phase panel & a mm constraints
488sub-panel has been added. Also add programs ramafit & gsas2pdb to menus.
489(1/2002, 1.54)
490
491<DT>ABSPLT
492<DD>Display absorption/reflectivity correction
493(new program).
494(1/2002, 1.54)
495
496<DT>BKGEDIT
497<DD>fit terms using linear least squares. Background
498functions 1-6 now are implemented. Colors/symbol size a little nicer.
499(1/2002, 1.54)
500
501<DT>LIVEPLOT
502<DD>Cycle through histograms with the "N" keyboard key.
503<BR>
504Optionally Label tickmarks by phase name & edit phase label on
505the edit tickmarks menu.
506<BR>
507Plots can now be exported to GRACE (aka xmgr) to
508produce publication-quality graphics. A similar
509feature for a Windows program,
510preferably a common and not overly expensive (at least for academic users),
511if one can be found that accepts ASCII command files.
512(1/2002, 1.54)
513
514<DT>LSTVIEW enhancements<DD>
515LSTVIEW can now be used to plot R-factors as a function of the
516cycle number. If the summary of shifts output option is on,
517the ratio of shifts to standard uncertainty can also be plotted.
518<BR>
519LSTVIEW can also delete some or all of the .LST file contents.
520<BR>
521Minor bugs were also corrected.
522(1/2002, 1.54)
523
524<DT>Bug fixes<DD>
525Put Edit Excluded Regions button back; Allow D as an element type; bkgedit
526with old BLT versions; manual zoom reset; saveas error;
527(12/2001, 1.53)
528
529<DT>EXP info<DD>
530Display R-factors, etc. in .EXP file open dialog.
531(12/2001, 1.52)
532
533<DT>Histogram Flags<DD>
534Histogram flags can be set for all types of histograms.
535(11/2001, 1.51)
536
537<DT>Dummy Histograms<DD>
538Dummy histogram ranges can now be changed in the EXCLEDT routine.
539(11/2001, 1.50)
540
541<DT>
542Excluded region/Data limits editor
543<DD>
544Major rewrite to make compatible with Win-9x & add dummy histogram support
545(11/2001, 1.50)
546
547<DT>LIVEPLOT, BKGEDIT & EXCLEDT
548<DD>new features: manual zoom (z key) and cycle between histograms
549(n key)
550(11/2001, 1.50)
551
552<DT>Update archived file treatment<DD>
553Archived files are now saved as <I>EXPNAM</I>.Oxx where xx is a pair
554of hexidecimal digits, as is now done in EXPEDT, GENLES,...
555Archived files can now be read directly in Windows & Unix.
556(10/2001, 1.49)
557
558<DT>Import coordinates from EXP files<DD>
559A .EXP or .Oxx file is selected (as well as a phase,
560if more than one is present) and the coordinates are imported into
561the current experiment file.
562(10/2001, 1.48)
563
564<DT>Web help<DD>
565Fix -NT & -2000 bug in bringing up web pages
566
567<DT>Dummy Histograms<DD>
568Dummy histograms are used to simulate powder diffraction patterns.
569It is now possible to set them up in EXPEDT using the "add histogram"
570button.
571(9/2001, 1.47)
572
573<DT>
574Histogram flags
575<DD>
576The use/do not use flag for histograms can now be set using a button
577on the histogram panel.
578(9/2001, 1.47)
579
580<DT>
581Excluded region/Data limits editor
582<DD>
583This allows the range of data to be included in the refinement
584to be selected graphically.
585(9/2001, 1.46)
586
587<DT>
588Adjustable screen font selection
589<DD>
590Font size can now be selected from a menu. Convenient, as well as
591perhaps improving on utility for folks with visual disabilities.
592The customization discussion in expgui_cfg.html
593now tells how to do override the default families & relative sizes.
594(9/2001, 1.46)
595
596<DT>
597Add Marquardt damping, LeBail damping to GUI
598<DD>
599These parameters are on "LS Controls" panel, along with
600the convergence parameter. The <a HREF="expgui1.html">documentation for this
601panel</A>
602has also been expanded
603to better explain what these options do. (7/2001, 1.44)
604
605<DT>
606Fixed background points (BKGEDIT)
607<DD>
608Fits a Chebeshev polynomial to a set of fixed points input by a user.
609If need be (not recommended, though) the background points
610can be input to GSAS as fixed background values. (7/2001, 1.44)
611<DT>
612"doc-less" install
613<DD>
614Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
615local system (6/2001, 1.43)
616
617<DT>
618Load archived files (Unix only)
619<DD>
620A convenient way to load archived versions of the .EXP file has been
621added to the EXPNAM command (4/2001, 1.42).
622
623<DT>
624Sort atoms to be added
625<DD>
626A convenient way to sort the atom list (4/2001, 1.42).
627
628<DT>
629WWW links
630<DD>
631Implemented context-sensitive help that brings up web pages
632from local storage. (10/2000, 1.38)
633
634<DT>
635Error reporting
636<DD>
637When an invalid entry is specified, (for example 1..0 is typed, instead
638of 1.0) EXPGUI ignores the entry and (now) it is also displayed in red, to
639flag the error. This only happens for entries on the main panels. For
640entries on modal dialogs (where there a "done" or "keep" button), these
641errors will be reported only when the button is pressed. (10/2000, 1.38)
642
643<DT>
644Import Atoms/Import Phase
645<DD>
646A CIF import routine is now available. (10/2000, 1.38)
647
648<DT>
649"Non-shell" version of EXPGUI
650<DD>
651EXPGUI has two functions, 1) to act as a "shell" that calls the
652various GSAS programs, and 2) to edit the .EXP file. For use with
653MacGSAS (and possibly the standard Win-95 GSAS shell), it is possible
654to turn off the "shell" features -- by calling EXPGUI with the argument
655-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
656This mode has not yet been tested and is not expected to
657be needed due to the OS X release. (10/2000, 1.36)
658
659<DT>
660NIST accessibility requirement
661<DD>
662NIST requires that all images in WWW pages have an ALT= tag included.
663This has been done on all the documentation HTML pages, despite the
664fact that (in this case) it adds no new content for anyone.
665
666<DT>
667Change space group/Import from file
668<DD>
669A mechanism where one can specify a new space group, cell,
670and reinput all atoms for the phase (to get site syms correct). One can
671keep the old atoms for the phase or replace them. It is possible
672to do this manually or with a file import capability.
673At present the only file type accepted is
674the .CEL format from PowderCell. New format filters can be "dropped" in
675place. (8/2000, 1.33)
676
677<DT>
678Import Atoms/Import Phase
679<DD>
680This appears on the add atoms & add phase dialogs and draws on the above.
681(8/2000, 1.33)
682
683<DT>
684Transform Atoms
685<DD>
686There is now a "xform atom(s)" button on the phase panel that
687can be used to transform coordinates,
688globally set the occupancy & Uiso and switch atoms between
689iso/aniso and erase selected groups of atoms
690(8/2000, 1.31)
691
692<DT>
693Delete phases
694<DD>
695Work around -- change phase flags on the histogram page (appears when 2+ phases
696present).
697(8/2000, 1.31)
698
699<DT>
700Spherical Harmonic (ODF) Preferred Orientation
701<DD>
702done
703(7/2000, 1.29)
704
705<DT>
706Define background types
707<DD>
708The pull-down background selection menu now shows the names of the
709background functions (7/2000, 1.29)
710
711
712</DL>
713<hr>
714<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
715<TR><TH><A  Href="expgui.html">EXPGUI top</A> 
716</TH><TH><A  Href="revlog.html">Full change log</A>
717</TH></TR></TABLE>
718
719<P><font size=-1><A HREF="MAILTO:crystal@NIST.gov?subject=WWW page <?=$PHP_SELF?>">Comments, corrections or questions: crystal@NIST.gov</A></font><BR>
720<font size=-1><? lastmod(); ?> </font>
721<br>
722$Revision: 871 $ $Date: 2009-12-04 23:13:28 +0000 (Fri, 04 Dec 2009) $
723</blockquote>
724</body>
725</html>
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