Crystallography Online: the website of the International Union of Crystallography

Dear Colleagues,

You will find release 0.7.5 of CBFlib at:

http://arcib.dowling.edu/~bernsteh/software/CBFlib_0.7.5/

The uopdated manual is at:

http://arcib.dowling.edu/~bernsteh/software/CBFlib_0.7.5/doc/CBFlib.html

The tarball is at:

http://arcib.dowling.edu/~bernsteh/software/CBFlib_0.7.5/CBFlib.tar.gz


Testing, corrections and comments would be appreciated.  Unless
someone reports real show-stopper problems, I intend to put
out a more general announcement of this release later this
coming week.

This is an alpha release with extensive changes and additions,
which should be used with caution.  As we correct problems,
we will run through 0.7.6, etc, and will make the resulting
stable release 0.8.

Note that the new code for real arrays and dictionary handling
will almost certainly need more work, but the new convert_image
should be well worth trying.

The release is based on the imgCIF dictionary, version 1.3.2,
with one proposed addition:

   _diffrn_data_frame.details

which is used to provide additional information about the
frame, as in the sample from Chris Neilsen's ADSC Quantum 315
example processed through convert_image:


;
  HEADER_BYTES = 512;
  DIM = 2;
  BYTE_ORDER = big_endian;
  TYPE = unsigned_short;
  SIZE1 = 3072;
  SIZE2 = 3072;
  PIXEL_SIZE = 0.102588;
  BIN = 2x2;
  DETECTOR_SN = 901;
  TIME = 29.945155;
  DISTANCE = 200.000000;
  PHI = 85.000000;
  OSC_START = 85.000000;
  OSC_RANGE = 1.000000;
  WAVELENGTH = 0.979381;
  BEAM_CENTER_X = 157.500000;
  BEAM_CENTER_Y = 157.500000;
  PIXEL SIZE = 0.102588;
  OSCILLATION RANGE = 1;
  EXPOSURE TIME = 29.9452;
  TWO THETA = 0;
  BEAM CENTRE = 157.5 157.5;
;

The summary of the changes is:

0.7.5	  Apr 2006	  HJB	  This release cleans up some
compiler warnings, corrects a parse error on quoted strings with a
leading blank as adds the new routines for support of aliases,
dictionaries and real arrays, higher level routines to get and set
pixel sizes, do cell computations, and to set beam centers, improves
support for conversion of images, picking up more data from headers.

Have fun.

Regards,
   Herbert
-- 
=====================================================
  Herbert J. Bernstein, Professor of Computer Science
    Dowling College, Kramer Science Center, KSC 121
         Idle Hour Blvd, Oakdale, NY, 11769

               Office:  +1-631-244-3035
            Lab (KSC 020): +1-631-244-3451
                  yaya at dowling.edu
=====================================================