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[Imgcif-l] Proposed new imgCIF/CBF dictionary

Dear Colleagues,

   The most recently COMCIFS-approved imgCIF/CBF dictionary dictionary
is the 2005 1.3.2 version at ftp://ftp.iucr.org/pub/cif_img.dic

   A great deal of work has been done since then.  This would be a
good time to initiate the formal process of submitting a new
imgCIF/CBF dictionary to COMCIFS for approval.

You will find the most recent draft dictionary at:

   http://www.bernstein-plus-sons.com/software/CBF/doc/cif_img_1.6.4.html
   http://www.bernstein-plus-sons.com/software/CBF/doc/cif_img_1.6.4.dic
   http://downloads.sf.net/cbflib/cif_img_1.6.4_2Jul11.dic

You will find the line-by-line differences between the last-approved
version and the current draft at

   http://downloads.sf.net/cbflib/cif_img_1.3.2_1.6.4.diff

A summary of the major changes follows below my signature. Please
provide comments, corrections and suggestions to this list between now
and 15 August 2011.

   Note that a 0.9.2.2 CBFlib kit including this draft dictionary
has been posted to sorrceforge at

   http://downloads.sf.net/cbflib/CBFlib-0.9.2.2.tar.gz

   Regards,
     Herbert

    1.6.4   2011-07-02

;  Corrections to support DLS Dectris header as per G. Winter (HJB)

     +  Define new tags _diffrn_scan.time_period,
        _diffrn_scan.time_rstrt_incr,
        _diffrn_scan_frame.time_period,
        _diffrn_scan_frame.time_rstrt_incr
     +  fix bad category name in loop in _diffrn_detector.id
     +  remove stray text field terminator at line 4642
     +  fix unquoted tag as a value in _diffrn_scan_frame_monitor.id
     +  make formerly mandatory and implicit deprecated items non-mandatory

;

    1.6.3   2010-08-26

;  Cummulative corrections from 1.6.0, 1, 2 drafts (HJB)

     +  Move descriptive dictionary comments into
     _datablock.description with catgeory tree described
     +  add default _array_data.array_id value of 1
     +  add option of CBF_BACKGROUND_OFFSET_DELTA compression
     +  add VARIANT catgeory and tags
     +  add DIFFRN_SCAN_FRAME_MONITOR category

;

    1.5.4   2007-07-28

;  Typographics corrections (HJB)

      + Corrected embedded degree characters to \%
      + Corrected embedded Aring to \%A
      + Added trailing ^ for a power
      + Removed 2 cases of a space after an underscore
        in tag name.
;

    1.5.3   2007-07-08

;  Changes to support SLS miniCBF and suggestions
    from the 24 May 07 BNL imgCIF workshop (HJB)

      + Added new data items
        '_array_data.header_contents',
        '_array_data.header_convention',
        '_diffrn_data_frame.center_fast',
        '_diffrn_data_frame.center_slow',
        '_diffrn_data_frame.center_units',
        '_diffrn_measurement.sample_detector_distance',
        '_diffrn_measurement.sample_detector_voffset
      + Deprecated data items
        '_diffrn_detector_element.center[1]',
        '_diffrn_detector_element.center[2]'
      + Added comments and example on miniCBF
      + Changed all array_id data items to implicit
;

    1.5.2   2007-05-06

;  Further clarifications of the coordinate system. (HJB)
;

    1.5.1   2007-04-26

;  Improve defintion of X-axis to cover the case of no goniometer
    and clean up more line folds (HJB)
;

    1.5     2007-07-25

;  This is a cummulative list of the changes proposed since the
    imgCIF workshop in Hawaii in July 2006.  It is the result
    of contributions by H. J. Bernstein, A. Hammersley,
    J. Wright and W. Kabsch.

    2007-02-19 Consolidated changes (edited by HJB)
      + Added new data items
        '_array_structure.compression_type_flag',
        '_array_structure_list_axis.fract_displacement',
        '_array_structure_list_axis.displacement_increment',
        '_array_structure_list_axis.reference_angle',
        '_array_structure_list_axis.reference_displacement',
        '_axis.system',
        '_diffrn_detector_element.reference_center_fast',
        '_diffrn_detector_element.reference_center_slow',
        '_diffrn_scan_axis.reference_angle',
        '_diffrn_scan_axis.reference_displacement',
        '_map.details', '_map.diffrn_id',
        '_map.entry_id', '_map.id',
        '_map_segment.array_id', '_map_segment.binary_id',
        '_map_segment.mask_array_id', '_map_segment.mask_binary_id',
        '_map_segment.id', '_map_segment.map_id',
        '_map_segment.details.
      + Change type of
        '_array_structure.byte_order' and
        '_array_structure.compression_type'
        to ucode to make these values case-insensitive
      + Add values 'packed_v2' and 'byte_offset' to enumeration of values for
        '_array_structure.compression_type'
      + Add to definitions for the binary data type to handle new compression
        types, maps, and a variety of new axis types.
     2007-07-25 Cleanup of typos for formal release (HJB)
      + Corrected text fields for reference_ tag descriptions that
        were off by one column
      + Fix typos in comments listing fract_ tags
      + Changed name of release from 1.5_DRAFT to 1.5
      + Fix unclosed text fields in various map definitions

;

    1.4     2006-07-04

;  This is a change to reintegrate all changes made in the course of
    publication of ITVG, by the RCSB from April 2005 through
    August 2008 and changes for the 2006 imgCIF workshop in
    Hawaii.

    2006-07-04 Consolidated changes for the 2006 imgCIF workshop (edited by HJB)
      + Correct type of '_array_structure_list.direction' from 'int' to 'code'.
      + Added new data items suggested by CN
        '_diffrn_data_frame.details'
        '_array_intensities.pixel_fast_bin_size',
        '_array_intensities.pixel_slow_bin_size and
        '_array_intensities.pixel_binning_method
      + Added deprecated item for completeness
        '_diffrn_frame_data.details'
      + Added entry for missing item in contents list
        '_array_structure_list_axis.displacement'
      + Added new MIME type X-BASE32K based on work by VL, KM, GD, HJB
      + Correct description of MIME boundary delimiter to start in
        column 1.
      + General cleanup of text fields to conform to changes for ITVG
        by removing empty lines at start and finish of text field.
      + Amend example for ARRAY_INTENSITIES to include binning.
      + Add local copy of type specification (as 'code') for all children
        of '_diffrn.id'.
      + For consistency, change all references to 'pi' to '\p' and all
        references to 'Angstroms' to '\%Angstroms'.
      + Clean up all powers to use IUCr convention of '^power^', as in
        '10^3^' for '10**3'.
      + Update 'yyyy-mm-dd' type regex to allow truncation from the right
        and improve comments to explain handling of related mmCIF
        'yyyy-mm-dd:hh:mm' type, and use of 'Z' for GMT time zone.

    2005-03-08 and
    2004-08-08 fixed cases where _item_units.code  used
               instead of _item_type.code (JDW)
    2004-04-15 fixed item ordering in
                _diffrn_measurement_axis.measurement_id
                added sub_category 'vector' (JDW)

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

                  +1-631-244-3035
                  yaya@dowling.edu
=====================================================
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