Crystallography Online: the website of the International Union of Crystallography

As discussed in the release message for CBFlib 0.7.5, the following new
tag is proposed for inclusion in the imgCIF dictionary:

save__diffrn_data_frame.details
      _item_description.description
;              A description of special aspects of each frame of data.

                This is an appropriate location in which to record
                information from vendor headers as presented in those
                headers, but it should never be used as a substitute
                for providing the fully parsed information within
                the appropriate imgCIF/CBF categories.
;
      _item.name                  '_diffrn_data_frame.details'
      _item.category_id             diffrn_data_frame
      _item.mandatory_code          no
      _item_type.code               text
      loop_
      _item_examples.case
      _item_examples.detail
;
  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;
;
;
     Example of header information extracted from an ADSC Quantum 315
     detector header by CBFlib_0.7.6.  Image provided by Chris Nielsen
     of ADSC from a data collection at SSRL beamline 1-5.
;
       save_

Reason for the change:  To assist vendors and software developers in
validating frame header parsing and to carry data frame information
that may not yet have an associated imgCIF tag.  Use for the second
purpose should be kept to a minimum by creating appropriate new tags
in a timely manner.


Suggestions, comments and corrections appreciated.




-- 
=====================================================
  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
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