Add capability to index on multiple frames with DPS
indexing. Allow changing symmetry from Autoindexing window.
In DPS scaling, improve table of rejected reflections, and add
control information for xloggraph in log file. Make mosaicity read by
DPS scaling correspond to that used in Mosflm. Add option to refine
mosaicity in the scaling step (if using scaled partials). Allow
starting scales, etc. to come from output of a previous run.
Make parameters from parameter file always override values from
image file headers, unless values in the parameter file are zeroes.
Fix some makefiles for SGI.
Fix still more problems with reading file headers.
Version 1.30 to 1.31, June 1999
Include Mosflm Version 6.0, which uses DPS indexing routine. This
version is somewhat different from that distributed from the MRC, as
it uses the same indexing routines as the main GUI.
Modify DPS scaling fields in "Scaling Parameters" window and its
subwindows, to be less crowded and more relevant. Fix a bug in DPS
Add support for MAR CCD detector. B4 detector at NSLS can now be
treated as an ADSC_Quantum detector with non-standard pixel size and
number of pixels.
Fix a few bugs in indexing routines. Fix problems with reading
R-axis and MAR headers.
Add fonts for GUI to distribution file.
Version 1.20 to 1.30, April 1999
Incorporate DPS scaling program. Modify "Scaling Parameters"
window to allow selection of scaling program, provide interface for
entering parameters specific to DPS scaling.
Add "Bypass initial sort/merge" button to "Scaling Parameters", to
allow faster rescaling when input data are the same and only scaling
parameters have changed.
Fix a bug in reading R-axis headers.
Version 1.10 to 1.20, February 1999
Add "Scaling Parameters" window for selecting Scala options. Add
capability to scale together multiple files of integrated data. Change
some naming conventions for output files to go along with this.
Add a few items to "Integration Parameters" window and post this
window before starting integration.
Add support for detector rotated about spindle axis by angle
"Twotheta", i.e. make DPS indexing work in this case and pass
appropriate parameters to Mosflm. Note that the Adxv display program
is not aware of twotheta, so approximate cell dimensions from Adxv
"Line" window will be inaccurate for non-zero twotheta. The same
problem exists for dimensions from the "Measure cell" option of the
Mosflm display window.
Move some text fields to more appropriate locations in the
GUI. Add low resolution limit (for refinement and integration).
Make almost all fields in "Machine Parameters" window capable of
getting values from file header when field is blanked and C/R hit.
Add support for MAR pck format. If detector type is MAR, program
will try to determine format type and process it properly.
Be more consistent about passing updated parameters back from
Mosflm, via .sav file.
Prevent creation of "zombie" processes when program executes shell
Fix several bugs: dps_index infinite loop under Linux, wrong
penalty returned from dps_bravais for a few lattices, incorrect
treatment of byte-swapped file headers, fix-cell flag in "Refinement
Parameters" window not resetting properly.
*** NOTE - almost all of the command files have been modified; old
command files will not work properly with new software! ***
Version 1.03 to 1.10, September 1998
Add support for detectors other than ADSC Quantum. The list
includes MAR, R-axis, Princeton CCD, Fuji imaging plate, and a generic
rectangular detector. Some detector types have not been fully tested
- please report problems!
Addition of "Detector Type" menu to main GUI "Machine Parameters"
Addition of branching based on detector type to shell scripts -
old scripts will not work properly with new program.
Updating of adxv to do peak search correctly for different
Creation of several new auxiliary routines to calculate parameters
which were previously fixed but now vary with detector type.
Fix a few minor bugs in DPS indexing and mosflm.
Version 1.02 to 1.03, June 1998
Use "tcsh" instead of "csh" for Linux system.
Add option to enter direct beam coordinates in adxv or mosflm
For DPS indexing:
Add "Working" label to be displayed during indexing.
Add option of displaying results with either adxv or mosflm.
For mosflm refinement and integration:
Add running display of end of log file, so user can follow progress.
Add option of using Scala (CCP4 V3.3) alone, Scala (CCP4 V3.2)
followed by Agrovata, or Rotavata followed by Agrovata.
Version 1.01 to 1.02, June 1998
Add some support for detectors other than Quantum-4. Changes are
only in command files, "adxv", and "mh_st"; this is not a full
implementation of multi-detector support.
Fix some minor problems; changes include:
Not generating multiple zombie processes during a run.
Allowing full pathname for a parameter file, rather than requiring
it to be in the working directory.
Version 1.0 to 1.01, April 1998
Create "process" script to automatically get command files before
starting GUI. Allow specification of parameter file on command line;
file is then loaded when GUI starts.
Remove "Initialize" button, which was redundant.
Make "STOP" button actually stop all processes which have been
started by the GUI.
For DPS indexing:
Add low and high resolution limits for indexing.
Adxv modified to improve peak searching, and to bring up the peak
search control window automatically when started by the "Find Peaks"
Use adxv instead of mosflm to display results of indexing.
"Autoindex" button and "CLOSE" button of DPS indexing window
automatically stop adxv.
For Mosflm indexing:
Change command file to specify matrix file name, and symmetry, if
matrix file exists. This is so "Index:MOSFLM" can be used to display
predictions from a prior indexing (e.g. using DPS).
For Mosflm refinement:
Change "Refine:MOSFLM" button to bring up "Refinement Control"
window and allow user to check parameters before actually starting
Allow update of unit cell, missetting angles, mosaicity, or camera
constants, or all of them, from the "Refinement" window.