Index

Core dictionary version 3.0.14

Revision history

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Version 3.0.05 ()
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     Merged in most symmetry dictionary definitions (James Hester)

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Version 3.0.06 ()
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     Adjusted and removed keys for changes in dREL operation.
     _citation_id added to key list of citation_author (James Hester).
     _diffrn.crystal_id removed as diffrn is Set category. Changed 
     EXPTL_CRYSTAL to Set type in keeping with current use patterns.
     Removed all child keys of exptl_crystal_id.

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Version 3.0.07 ()
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     Added and deprecated symmetry.cell_setting. Removed rhombohedral
     option from dREL method for space_group.crystal_system. (James Hester)

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Version 3.0.08 ()
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     Added missing items from DDL1 version: _citation.doi, _audit.block_doi
     _citation.publisher, _database.dataset_doi, _publ_contact_author.id_orcid,
     _publ_author.id_orcid (James Hester)

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Version 3.0.09 ()
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     Rewrote CITATION category description to cover all relevant uses rather than
     only publication-related uses (James Hester).

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Version 3.0.10 ()
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     Added DATABASE_RELATED category (James Hester).

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Version 3.0.11 ()
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     Removed the _chemical_conn_bond.distance_su data item.
     Changed the purpose of the diffrn_radiation_wavelength.value data item
     from 'Number' to 'Measurand'. Added the diffrn_radiation_wavelength.value_su
     data item.

     Replaced all instances of the _definition.replaced_by data item with
     data items from the DEFINITION_REPLACED category.

     Marked the _atom_site.refinement_flags data item as deprecated and
     replaced by the _atom_site.refinement_flags_posn,
     _atom_site.refinement_flags_adp and _atom_site.refinement_flags_occupancy
     data items.

     Changed the _type.purpose from 'Encode' to 'Link' in the definitions of
     the _geom_angle.atom_site_label_2, _valence_param_atom_1,
     _valence_param_atom_2, _valence_param_ref_id, _atom_site_aniso.label
     and _atom_type_scat.symbol data items. Removed the _name.linked_item_id
     data item from the definitions of the _diffrn_scale_group.code and
     diffrn_standard_refln.code data items.

     Updated the definitions of the _geom_hbond.angle_DHA and
     _geom_hbond.angle_DHA_su data items.
     
     Corrected the definitions of the _cell_measurement.temperature_su and
     _cell_measurement.pressure_su data items.

     Corrected a typo in the definitions of the _geom_contact.distance and
     _geom_torsion.angle and data items.

     Changed the content type of multiple data items from 'Index' or 'Count'
     to 'Integer' and assigned the appropriate enumeration range if needed.

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Version 3.0.12 ()
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     Adjusted the ranges of _geom_bond.angle and _geom_hbond.angle_DHA to
     be 0:180 degrees.

     Changed dREL methods for Cartesian transformation matrix elements 
     to calculate default values rather than required values.

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Version 3.0.13 ()
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     Changed all synthetic identifiers ('id') to be Text, and removed dREL.
     Validation method for _space_group.crystal_system removed as it contained
     undefined dREL functions "throw" and "alert".

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Version 3.0.14 ()
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     Added opaque author identifiers to audit_author and publ_author as well
     as relevant linking identifiers to audit_contact_author and 
     publ_contact_author. Added diffrn_measurement.specimen_attachment_type

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