CIF_COMPAT

Version: 0.101-dev-0 (2020-07-15)

COD_ERROR

This category is considered deprecated and is only retained in this dictionary for compatibility purposes. The COD_ENTRY_ISSUE category from the 'cif_cod.dic' dictionary should be used instead.

Data items from this category flag and describe problems (errors, warnings, etc.) that were discovered in a particular COD entry during deposition, validation or review.

Examples:

_cod_error_flag                  warnings
_cod_error_source                original
_cod_error_description
;
 The reported bond distances/angles involving atoms 'O4' and 'O11'
 do not match the ones calculated from the given coordinates.
;

_cod_error_flag                  errors
_cod_error_source                deposition
_cod_error_description
;
 This entry is one of the GNU Xtal software test files. It describes
 a hypothetical structure in an awkward high symmetry. The original
 'p6122.cif' file and a related 'p6122.dat' file that contains a short
 description of the tests in the file header can be found at:
 http://www.iucr.org/__data/iucr/cif/software/xtal/xtal/dat/p6122.cif
;

_cod_error_flag

This data item is considered deprecated and is only retained in this dictionary for compatibility purposes.

Describes the severity of errors if such are detected in COD entries:

'none': means that the entry is clean and can be used with confidence; normally the data item with this value can be omitted.

'warnings': data or syntax have suspicious properties, or some missing pieces of information, but the main data items (unit cell, coordinates, chemical formula) should be mostly correct.

         Warnings may be used to indicate internal
         inconsistencies (e.g. mismatches between declared
         chemical formula sum and the actual atomic composition)
         that do not show an obviously incorrect structure;
         unusual bond geometries, valencies, packing voids, etc.

'errors': the file has serious errors; the data are either wrong or unusable due to dictionary non-conformance, obvious data errors, known experimental errors, missing data items.

'retracted': the original paper describing the structure, or the COD CIF file was retracted by authors.

Values:

_cod_error_source

This data item is considered deprecated and is only retained in this dictionary for compatibility purposes.

Describes the most distant (i.e. the closest to the data origin) COD source where the origin of the detected problem (error, warning, etc.) can be traced back.

Values:

_cod_error_description

This data item is considered deprecated and is only retained in this dictionary for compatibility purposes.

Provides a human-readable description of the problems identified in the COD entry and recorded using items from the COD_ERROR category.

COD_TEXT

Data items in the COD_TEXT category record details about the original source of the crystallographic information in the given entry.

_cod_text

This data item is considered deprecated and is only retained in this dictionary for compatibility purposes.

Details about the original source of the crystallographic information in the given entry.

Examples:

data_6000034
_cod_text
;
 Kramer KW; Gudel HU; Fischer P; Fauth F; Fernandez-Diaz MT; Hauss T -
 Triangular antiferromagnetic order in the honeycomb layer lattice of
 ErCl3 - EUROPEAN PHYSICAL JOURNAL B 18 (2000) 39-47
;