CIF_ROD
Version: 0.1.2 (2018-04-08)
ROD_DATABASE
The CATEGORY of data items used for ROD bookkeeping purposes such as assigning the ROD database code.
_rod_database.code
A seven digit code assigned by the Raman Open Database (ROD).
ROD_RELATED_ENTRY
The CATEGORY of data items used to describe the relationship between a ROD entry and related entries in the ROD or other databases.
_rod_related_entry.id
Value is a unique key to a set of ROD_RELATED_ENTRY items in a looped list.
_rod_related_entry.code
The entry identifier in the related database.
_rod_related_entry.database
The name of a database in which the related entry (with the code given in _rod_related_entry.code) is stored. If this data value is not given or has the value '.', it should be assumed that the code given in _rod_related_entry.code refers to the same database as the entry which is under discussion (i.e. from which the _rod_related_entry.code is taken).
_rod_related_entry.relation
The type of relationship between the entries.
Values:
| Value | Description |
|---|---|
| same_sample | Experimental results were derived from the same sample. |
| xrd_cell_best_match | The related entry is considered as containing X-ray diffraction (XRD) cell parameter values that are most similar to the expected ones for the given sample. It should be considered as the best XRD cell parameter match in the entire related database. The related entry is not required to be derived from the same sample. Only one best XRD match can be specified. |
| xrd_cell_match | The related entry is considered as containing X-ray diffraction (XRD) cell parameter values that are similar to the expected ones for the given sample. More than one XRD cell match can be specified. |
| other | The related entry is considered as being related in a way that is not described in this list. In case this enumerator value is used the _rod_related_entry.description data value must be provided. |
_rod_related_entry.description
A short human-readable description of the relationship between the entries.
_rod_related_entry.uri
The uniform resource identifier (URI) of the related entry given in the _rod_related_entry.code data item.
ROD_CHANGE_LOG_ENTRY
The CATEGORY of data items used to document changes made to the Raman Open Database entry.
_rod_change_log_entry.id
Value is a unique key to a set of ROD_CHANGE_LOG_ENTRY items in a looped list.
_rod_change_log_entry.author
The name of the person that changed the entry.
_rod_change_log_entry.date
The date of the change that conforms to RFC 3339.
_rod_change_log_entry.text
A human-readable description of the change that was made.
ROD_MAINTAINER_COMMENT
The CATEGORY of data items used to store the comments of the data maintainer.
_rod_maintainer_comment.id
Value is a unique key to a set of ROD_MAINTAINER_COMMENT items in a looped list.
_rod_maintainer_comment.author
The name of the maintainer who wrote the comment.
_rod_maintainer_comment.date
The date of the comment that conforms to RFC 3339.
_rod_maintainer_comment.text
The comment text.
ROD_DATA_SOURCE
The CATEGORY of data items used to record and trace sources of the information deposited into the ROD.
_rod_data_source.file
Specifies file name of the file that served as a source of data in this ROD entry. The file should be recoded without the path or other URI components since these components usually have no sense on the recipient's system. In Unix parlance, the value recorded should be the basename of the original file. If the full, permanent URI is known and recorded the _rod_data_source.URI data item should be used instead. For many data sources, however, the basename contains enough information to locate the original source. For instance, CIFs published in IUCr journals have the Coeditor Code as a CIF file name permitting to identify the original paper where the structure is discussed. Other journals may use the DOI of the original article as a part of the file name of the supplementary CIF file which also permits one to trace back the original paper.
_rod_data_source.block
Specifies the name of the data block within the file specified in the _rod_data_source.file tag that served as a source of data in this ROD entry. Only the data block name following the 'data_' header keyword should be recorded, not the whole data block header; i.e. the value specified here should be 'I', *not* 'data_I', for a data block with the header 'data_I'.
Currently, only one source of data, the data block that contained cell constants and atomic coordinates, is recorded, and thus this tag is not placed into a loop. If the data source file is not a CIF, this tag is irrelevant and may be omitted or may contain value '.' (dot).
_rod_data_source.uri
Specifies the uniform resource identifier (URI) of the file that served as a source of data in this ROD entry. If the full, permanent URI is known and recorded, this may be used instead of _rod_data_source.file. For many data sources, however, the basename contains enough information to locate the original source. See the full discussion under _rod_data_source.file.
ROD_DEPOSITOR
The CATEGORY of data items used to store the information related to the depositor of the data.
_rod_depositor.requested_release_date
Defines the date after which the structure should be released into the public domain, previously being held as prepublication material and not released publicly.