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Timestamp:
Dec 4, 2009 5:05:39 PM (16 years ago)
Author:
toby
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# on 2001/08/24 18:56:30, toby did:
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  • TabularUnified trunk/doc/wishlist.html

    • Property rcs:date changed from 2001/02/26 19:52:54 to 2001/08/24 18:56:30
    • Property rcs:lines changed from +7 -1 to +150 -58
    • Property rcs:rev changed from 1.12 to 1.13
    r375 r407  
    2121<br clear=all><hr>
    2222
     23<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
     24<TR><TH><A  Href="expgui.html">EXPGUI top</A>
     25</TH></TR></TABLE><BR CLEAR=ALL>
     26
    2327<center><h1>
    2428EXPGUI Wish List<BR>
    25 New Features In Progress, Planned, or Requested
     29New Features Completed, In Progress, Planned, or Requested
    2630</h1></center>
    2731<P>
    28 See the
    29 <A HREF="expgui.html">EXPGUI documentation</A> for a description of
    30 the current features.
    31 
    32 <H2>In Progress</H2><DL>
     32This page describes recent features added to EXPGUI or that are being
     33considered for addition.
     34See the <A HREF="expgui.html">EXPGUI documentation</A> for a description of
     35the current features and see <A HREF="revlog.html">the EXPGUI Revision log</A>
     36for a complete list of all changes for the source files.
     37
     38<H2>Planned</H2><DL>
    3339<DT>
    3440finalplot
    3541<DD>
    36 Produces publication-quality "Rietveld plot" graphics.
     42FINALPLOT is the program I use for
     43publication-quality "Rietveld plot" graphics.
    3744Not yet ready for "prime time" -- fixup for distribution.
    3845
    … …  
    4350up a "save as" box.
    4451
    45 </DL><H2>Perhaps someday</H2><DL>
    4652<DT>
    4753Excluded region editor
    … …  
    5157
    5258<DT>
    53 Set default maximum 2theta/TOF, when reading a data file
    54 <DD>
    55 When reading the bank lines in the "add histogram" submenu,
    56 pick up the max 2theta (etc.) & set the maximum in the box as banks
    57 are selected.
    58 
    59 <DT>
    60 Sort atoms to be added
    61 <DD>
    62 A convenient way to sort the atom list
    63 
    64 <DT>
    6559Import coordinates from a different .EXP file
    6660<DD>
    … …  
    7367Larger fonts improve the appearance with only a minor
    7468cost in size. The customization discussion in expgui_cfg.html
    75 now shows how to do this, but it could be quite a bit cleaner.
    76 
    77 <DT>
    78 Add Marquardt damping parameter
    79 <DD>
    80 Under "LS Controls" would be a logical place for this.
    81 Also, I think there is now a damping factor for Le Bail shifts, too.
    82 
     69now shows how to do this, but it could be made quite a bit cleaner.
     70
     71</DL>
     72<H2>To be considered</H2><DL>
    8373<DT>
    8474A CIF data import filter
    … …  
    8777instrument parameter files,
    8878as well as choosing data from the "right" loop_.
    89 
    90 
    91 <DT>
    92 Fixed background
    93 <DD>
    94 I do not like fixed background use, but agree that fixed points are useful
    95 for starting a fit. I would like to have a routine that fits a
    96 Chebeshev polynomial to a set of fixed points input by a user.
    9779
    9880<DT>
    … …  
    11799web pages might be more tractable.
    118100
    119 </DL><H2>Brand New</H2><DL>
     101</DL>
     102<hr>
     103<H2>Requested EXPGUI improvements</H2><DL>
     104The suggested improvements obtained from EXPGUI users are listed here.
     105(Note that some are also listed above). Prioritization is mine, with
     106some external input.
     107Additional suggestions and input on priorities is welcome, send it to
     108<a href="mailto:brian.toby@nist.gov?subject=EXPGUI suggestions">Brian.Toby@NIST.GOV</a>
     109<H4>
     110Highest
     111Priority</h4><UL>
     112
     113<LI> graphical excluded region editing
     114
     115<LI> Fixed background editor; fit a Chebeschev polynomial to
     116        selected background points
     117<font color=red>(done)</font>
     118
     119<LI> import coordinates from EXP file
     120
     121<LI> Liveplot: look for a valid histogram on startup
     122<font color=red>(done)</font>
     123
     124<LI> support new refinement control options (convergence...)
     125<font color=red>(done)</font>
     126
     127<LI> support histogram flags
     128
     129</UL><h4>
     130Medium
     131Priority</h4><UL>
     132
     133<LI> Add GUI support for bond-distance soft constraints
     134
     135<LI> "finalplot" program for publication-quality output
     136
     137<LI> Import diffraction data from CIFs (& revisit CIF exporting)
     138
     139<LI> Fourier Transform interface
     140
     141<LI> Rework coordinate export interface, support more formats
     142        (example Platon, CrystalMaker)
     143
     144</UL><h4>
     145Low
     146Priority</h4><UL>
     147
     148<LI> "wizard" that would lead new users through the steps of
     149        setting up a refinement.
     150
     151<LI> instrument parameter file editor
     152
     153<LI> import all histogram parameters (e.g. bkg, profile, scale, ...)
     154        from another .EXP file
     155
     156<LI> import from other .EXP:  Preferred orientation, Restraints,   Constraints
     157
     158<LI> log/graph parameters vs cycle
     159
     160</UL><h4>
     161Not Planned
     162</h4><UL>
     163
     164<LI> Shelx style disagl output
     165
     166<LI> point & click GUI-Forplot
     167
     168<LI> save plot as metafile
     169
     170</UL>
     171<hr>
     172</DL>
     173
     174<H2>RECENT ADDITIONS TO EXPGUI</H2><DL>
     175Additional features added to EXPGUI in the last year or so are listed here,
     176with an approximate date the features were added and the EXPGUI version
     177where the feature was added. This list is far from complete.
     178For a complete list of all changes for the source files
     179see <A HREF="revlog.html">the EXPGUI Revision log</A>
     180<P>
     181<DT>
     182Add Marquardt damping, LeBail damping to GUI
     183<DD>
     184These parameters are on "LS Controls" pane, along with
     185the convergence parameter. The <a HREF="expgui1.html">documentation for this
     186pane</A>
     187has also been expanded
     188to better explain what these options do. (7/01, 1.44)
     189
     190<DT>
     191Fixed background points (BKGEDIT)
     192<DD>
     193Fits a Chebeshev polynomial to a set of fixed points input by a user.
     194If need be (not recommended, though) the background points
     195can be input to GSAS as fixed background values. (7/01, 1.44)
     196<DT>
     197"doc-less" install
     198<DD>
     199Allow doc web pages to be read from www.ncnr.nist.gov, if not present on
     200local system (6/01, 1.43)
     201
     202<DT>
     203Load archived files (Unix only)
     204<DD>
     205A convenient way to load archived versions of the .EXP file has been
     206added to the EXPNAM command (4/01, 1.42).
     207
     208<DT>
     209Sort atoms to be added
     210<DD>
     211A convenient way to sort the atom list (4/01, 1.42).
    120212
    121213<DT>
    … …  
    123215<DD>
    124216Implemented context-sensitive help that brings up web pages
    125 from local storage.
     217from local storage. (10/00, 1.38)
    126218
    127219<DT>
    … …  
    132224flag the error. This only happens for entries on the main panes. For
    133225entries on modal dialogs (where there a "done" or "keep" button), these
    134 errors will be reported only when the button is pressed.
     226errors will be reported only when the button is pressed. (10/00, 1.38)
    135227
    136228<DT>
    137229Import Atoms/Import Phase
    138230<DD>
    139 A CIF import routine is now available
    140 
    141 <DT>
    142 Change phase pane color
    143 <DD>
    144 The beige color of the bottom box on the phase pane is too similar to the
    145 yellow color of the refinement flag. This color is now a variable
    146 [expgui(bkgcolor1)]. The default value, #fdf, is a light violet that
    147 will probably drive some folks nuts. It can be customized.
     231A CIF import routine is now available. (10/00, 1.38)
    148232
    149233<DT>
    … …  
    155239to turn off the "shell" features -- by calling EXPGUI with the argument
    156240-noshell or /noshell or by setting environment variable EXPGUI_NOSHELL to 1.
    157 This mode has not yet been tested.
     241This mode has not yet been tested. (10/00, 1.36)
    158242
    159243<DT>
    … …  
    165249
    166250<DT>
    167 Change space group
     251Change space group/Import from file
    168252<DD>
    169253A mechanism where one can specify a new space group, cell,
    … …  
    173257At present the only file type accepted is
    174258the .CEL format from PowderCell. New format filters can be "dropped" in
    175 place.
     259place. (8/00, 1.33)
    176260
    177261<DT>
    178262Import Atoms/Import Phase
    179263<DD>
    180 This appears on the add atoms & add phase dialogs and draws on the above.
     264This appears on the add atoms & add phase dialogs and draws on the above.
     265(8/00, 1.33)
    181266
    182267<DT>
    … …  
    187272globally set the occupancy & Uiso and switch atoms between
    188273iso/aniso and erase selected groups of atoms
     274(8/00, 1.31)
     275
     276<DT>
     277Delete phases
     278<DD>
     279Work around -- change phase flags on the histogram page (appears when 2+ phases
     280present).
     281(8/00, 1.31)
    189282
    190283<DT>
    191284Spherical Harmonic (ODF) Preferred Orientation
    192285<DD>
    193 done
    194 
    195 <DT>
    196 Delete phases
    197 <DD>
    198 Instead -- change phase flags on the histogram page (appears when 2+ phases
    199 present).
     286done
     287(7/00, 1.29)
    200288
    201289<DT>
    … …  
    203291<DD>
    204292The pull-down background selection menu now shows the names of the
    205 background functions
     293background functions (7/00, 1.29)
    206294
    207295
    208296</DL>
    209 <p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
     297<hr>
     298<TABLE BORDER BGCOLOR="#FFFF40" ALIGN=RIGHT>
     299<TR><TH><A  Href="expgui.html">EXPGUI top</A>
     300</TH></TR></TABLE>
     301<a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>)
    210302<br>
    211303$Revision$ $Date$
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