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Approval requested for CIF Core 2.1

Dear COMCIFS

On behalf of the Core Dictionary Management Group, I request formal approval
for version 2.1 of the core CIF dictionary. The dictionary is available by
anonymous ftp from the URL 
   ftp://ftp.iucr.org/cifdics/cif_core_2.1beta5.dic

The discussions leading to the final form of the dictionary may be consulted
at the archive of the coreDMG discussion list
   http://www.iucr.org/iucr-top/lists/coredmg/

Full members of COMCIFS should register their approval within one month; a
response by the end of February would be greatly appreciated.

For general information I append the log of changes from version 2.0.1, the
last approved version.

Regards
Brian
_______________________________________________________________________________
Brian McMahon                                             tel: +44 1244 342878
Research and Development Officer                          fax: +44 1244 314888
International Union of Crystallography                  e-mail:  bm@iucr.ac.uk
5 Abbey Square, Chester CH1 2HU, England                         bm@iucr.org
_______________________________________________________________________________

   1996-11-27  Release version 2.0. IUCr
   1997-01-20  BMcM:
               Some small changes thanks to PMDF. Double space after period
                 at end of sentence changed to single space throughout;
                 _citation_database_id_Medline _diffrn_detector_type moved
                 to correct alphabetic sequence; space introduced between
                 sentences in definition of _citation_journal_id_CSD; some
                 other minor grammatical changes
   1997-10-30  BMcM: (changes to align with Acta C Notes for Authors)
               Obsoleted *_obs_* entries in REFLNS and REFINE_LS categories
                 and replaced with *_gt_*; obsoleted _refine_ls_shift/esd_
                 by _refine_ls_shift/su_; obsoleted
                 _atom_site_thermal_displace_type by *_adp_type
   1997-11-05  BMcM: (changes to align with Acta C Notes for Authors)
               Added _diffrn_detector_area_resol_mean,
                 _diffrn_measured_fraction_theta_max and *_full,
                 _diffrn_reflns_theta_full
   1997-11-05  BMcM: Added _reflns_number_Friedel; changed various *_obs
                 items in examples to *_gt equivalents and likewise for
                 other obsoleted items
   1997-11-24  BMcM: Slightly changed wording of _reflns_number_Friedel and
                 _reflns_threshold_expression at suggestion of I.D.Brown.
                 Modified definition of _refine_ls_abs_structure_Flack and
                 changed the text of the example in category REFINE at
                 the request of H.D.Flack.
   1997-12-08  BMcM: Removed the phrase "(enantiomorph or polarity)" from
                 _refine_ls_abs_structure_Flack and *_Rogers because
                 "absolute structure" is a phrase uniquely defined (H.D.Flack)
   1997-12-08  BMcM: Several instances of \s changed to u
   1997-12-08  BMcM: Modified definitions of _reflns_number_total and
                 *_Friedel (after H.D.Flack) to clarify the distinction between
                 crystal-class and Laue-symmetry independent reflection sets
   1997-12-08  BMcM: Added _chemical_absolute_configuration and
                  _chemical_optical_rotation (H.D.Flack)
   1998-08-04  BMcM: Moved _diffrn_pressure_history and _diffrn_thermal_history
                  from draft msCIF dictionary to core as
                  _exptl_crystal_pressure_history and
                  _exptl_crystal_thermal_history (G. Madariaga/I.D.Brown)
                    Moved _diffrn_symmetry_description and REFINE_LS_CLASS
                  from draft msCIF dictionary to core (G. Madariaga/I.D.Brown)
   1998-08-04  BMcM: Minor rewordings of _refine_ls_R_Fsqd_factor,
                  _refine_ls_R_I_factor, various definitions referring to
                  F_calc in electrons, and _reflns_shell_number_unique_*
                  (I.D.Brown)
   1998-08-04  BMcM: added _reflns_Friedel_coverage (H.D.Flack/S.R.Hall)
   1998-08-04  BMcM: changed formula for F(000) (from
                  F(000) = [ sum (f~r~^2^ + f~i~^2^) ]^1/2^     to
                  F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^ ) (H.D.Flack)
   1998-08-04  BMcM: added 'syn' and 'unk' as enumerations to
                  _chemical_absolute_configuration (H.D.Flack/A.Linden)
   1998-09-02  BMcM: added _exptl_crystal_size_length and modified slightly
                  the definition of _exptl_crystal_size_ (W.Clegg/I.D.Brown)
                    Added _diffrn_attenuator_material (I.D.Brown)
                    Added sentence explaining the physical meaning of the
                  _enumeration_range to _refine_ls_abs_structure_Flack
                  (H.D.Flack)
                    Some rewording in _chemical_absolute_configuration implying
                  that for absolute configuration determination the measurement
                  and reporting of the optical rotation in solution are
                  considered mandatory. (H.D.Flack)
                    Some rewording in _reflns_number_total and *_gt to clarify
                  the inclusion of Friedel reflections; addition of
                  _reflns_Friedel_coverage; deletion of _reflns_number_Friedel
                  (H.D.Flack/S.R.Hall)
                    Further minor rewording to _reflns_shell_number_unique_all,
                  *_gt, *_obs (H.D.Flack)
   1998-09-10  BMcM: transferred _diffrn_reflns_number_of_classes and the
                  categories DIFFRN_REFLNS_CLASS, REFLNS_CLASS and
                  REFLNS_SHELL_CLASS from the draft msCIF dictionary; added
                  _diffrn_refln_class_code and _refln_class_code to link
                  individual reflections to their related categories.
   1998-12-08  BMcM: implemented H.D. Flack's reworking of DIFFRN_REFLNS_CLASS,
                  REFLNS_CLASS, REFLNS_SHELL_CLASS and REFINE_LS_CLASS, deleting
                  the latter two; removed _diffrn_reflns_number_of_classes.
   1998-12-15  BMcM: completed the above reworking; fixed embarrassing typo for
                  _related_function
   1999-01-16  BMcM: coreDMG review of version 2.1beta5. Numerous small changes
                  from I.D.Brown, the most significant being:
                   _atom_site_occupancy definition clarifies how to impose an
                    experimental uncertainty on the _enumeration_range;
                   _atom_site_U_iso_or_equiv enumeration range set to infinity;
                   _atom_type_analytical_mass_% enumeration range set as 0:100;
                   expanded definitions of _diffrn_radiation_probe and *_type to
                    clarify the distinction between these two items;
                   added reference to _exptl_crystal_size to the definition of
                    _exptl_crystal_description, and modified the definition of
                    _exptl_crystal_face_diffr_ ;
                   new data item _refln_d_spacing;
                   clarified the role of _reflns_special_details in specifying
                    whether Friedel pairs have been averaged;
                  Numerous small changes from H.D.Flack, most significantly:
                   removed enumeration range from _diffrn_reflns_counts_ because
                    *_net can go negative;
                   fixed various typos in equations for wR and S;
                   removed reference to Friedel reflections from
                    _refln_symmetry_multiplicity
   1999-01-24  BMcM: further revision to wording of _refln_symmetry_multiplicity
                   following discussions by HDF and IDB
                  Numerous small changes from G.Madariaga, most significantly:
                   a instead of A for real-space cell lengths
                    (_atom_site_B_iso_or_equiv and _atom_site_U_iso_or_equiv);
                   _related_function alternate for _atom_site_Cartn_ & _fract_;
                   "or scattering lengths" added to _atom_type_scat_source;
                   deleted incorrect _list_reference in DIFFRN_RADIATION;
                   added rtf to enumeration in _publ_body_format;
                   added enumeration range to _refine_ls_abs_structure_Rogers
   1999-02-04  BMcM: fixed some long lines
   1999-02-06  BMcM: data names using sigma as an indicator of experimental
                     standard uncertainty replaced by equivalents using the
                     preferred 'u' notation (HDF):
                          _diffrn_refln_intensity_sigma
                          _diffrn_reflns_av_sigmaI/netI
                          _diffrn_reflns_class_av_sgI/I
                          _diffrn_standards_scale_sigma
                          _reflns_shell_meanI_over_sigI_all
                          _reflns_shell_meanI_over_sigI_gt
                 (_reflns_shell_meanI_over_sigI_obs already replaced by *_gt)
                   addition of '_related function alternate' to new data
                     items corresponding to old items with
                     '_related_function replace' (SRH)
                   Example for _citation_journal_id_CSD changed to 0070 to
                     reflect current practice at PDB (F.C.Bernstein)
                   Added _atom_type_scat_dispersion_source (GM)
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