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Differences between versions 2.4 and 2.3 of the Core CIF Dictionary
Contents
Syntax
Dictionary contents
Syntax
Version 2.4 of the core dictionary is fully compliant with the
version 1.1 CIF specification
Dictionary contents
A full
revision history
lists all the changes made to the working draft of the dictionary. Numerous editorial changes were made to improve consistency, clarity of expression and presentation during the publication process for
International Tables for Crystallography Volume G: Definition and exchange of crystallographic data
(version 2.3.2). Subsequent significant changes include:
Added new flags notdet, dual, other to
_atom_sites_solution_
to reflect new techniques and to characterise absent information.
Added a number of items to characterise the enantioexcess:
_chemical_enantioexcess_bulk
,
_chemical_enantioexcess_bulk_technique
,
_chemical_enantioexcess_crystal
,
_chemical_enantioexcess_crystal_technique
.
Added new data items
_diffrn_reflns_Laue_measured_fraction_full
,
_diffrn_reflns_Laue_measured_fraction_max
,
_diffrn_reflns_point_group_measured_fraction_full
,
_diffrn_reflns_point_group_measured_fraction_max
.
Clarified definition of
_diffrn_standards_decay_%
and added examples.
Clarified definitions of
_exptl_absorpt_correction_T_max, _exptl_absorpt_correction_T_min
and added items
_exptl_transmission_factor_max
and
_exptl_transmission_factor_min
.
Added new data item
_geom_bond_multiplicity
.
Added new data items
_publ_author_email
,
_publ_section_related_literature
,
_publ_section_keywords
.
Added new data items
_refine_ls_F_calc_details
,
_refine_ls_F_calc_formula
,
_refine_ls_F_calc_precision
.
Added explanatory text and enumeration default values to the relevant items in the
SYMMETRY_EQUIV
and
SPACE_GROUP_SYMOP
categories to enhance compatibility and clarify the ordering of listed symmetry-equivalent positions.
Updated 11 March 2008
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