NAME

       cif_cod_check  - parse a CIF file, check if certain data values match COD requirements and
       IUCr data validation criteria (Version: 2000.06.09,  ftp://ftp.iucr.ac.uk/pub/dvntests  or
       ftp://ftp.iucr.org/pub/dvntests)

SYNOPSIS

       cif_cod_check --options input1.cif input*.cif

DESCRIPTION

       Parse  a  CIF  file,  check  if  certain  data values match COD requirements and IUCr data
       validation   criteria   (Version:   2000.06.09,    ftp://ftp.iucr.ac.uk/pub/dvntests    or
       ftp://ftp.iucr.org/pub/dvntests)

OPTIONS

         -c, --always-continue
                           Continue processing and return successful return status
                           even if errors are diagnosed.

         -c-, --always-die
                           Stop and return error status if errors are diagnosed.

         --continue-on-errors
                           Do not terminate script if errors are raised.

         --die-on-errors
                           Terminate script immediately if errors are raised
                           (default).

         --continue-on-warnings
                           Do not terminate script if warnings are raised (default).

         --die-on-warnings
                           Terminate script immediately if warnings are raised.

         --continue-on-notes
                           Do not terminate script if notes are raised (default).

         --die-on-notes
                           Terminate script immediately if notes are raised.

         --use-perl-parser
                           Use Perl parser for CIF parsing.

         --use-c-parser
                           Use Perl & C parser for CIF parsing (default).

         --cif-input
                           Use CIF format for input (default).

         --json-input
                           Use JSON format for input.

       For every --check-xyz option, there are the following corresponding related options:

         --check-only-xyz
                           Switch off any other checks and check ONLY xyz
                           (the last option on the command line wins).

         --no-check-xyz, --do-not-check-xyz, --dont-check-xyz
                           Switch off checks of xyz condition.

       The check options are:

         --check-authors
                           Check if the author names comply with the COD name
                           syntax requirements. Default.

         --check-bibliography
                           Check if the bibliographical information referring to
                           the original source is present in the file. Default.

         --require-only-doi
                           Treat the presence of the DOI as sufficient bibliographic
                           information.

         --require-full-bibliography
                           Require a more detailed set of bibliographic information
                           containing items such as publication journal, year,
                           volume, page numbers, etc. Default.

         --check-chemical-formula-sum
                           Check if the summary chemical formula complies with
                           the chemical formula syntax requirements. This check
                           uses a simple syntax that does not take into account
                           things such as chemical element types, chemical element
                           order, etc. Default.

         --check-pd-block-relations
                           Check if the relations between powder diffractogram
                           and phase data blocks are properly described. Default.

         --check-spacegroup-info

         --check-operators, --check-symmetry-operators

         --check-unit-cell

         --check-symmetry

         --check-simultaneous-presence
                           Check if data items from a certain data item grouping
                           (e.g. atomic coordinates, anisotropic displacement
                           parameters, etc.) are all simultaneously present in
                           a data block. Missing data items are reported only
                           if at least one data item from the grouping is already
                           present in the data block. Default.

         --check-limits

         --print-limits

         --add-limits  limits.lst

         --limits-file limits.lst

         --reset-limits

         --check-adp-presence
                           Check if each data block contains the atomic
                           displacement parameters. The check may optionally
                           be applied only to data files that were published after
                           a certain year (see --max-year-adp-presence-is-optional).
                           Default.

         --max-year-adp-presence-is-optional 1969
                           Check the presence of atomic displacement parameters
                           only in data files published after the specified year.
                           Modifies the behaviour of --check-adp-presence.
                           Use --no-max-year-adp-presence-is-optional to
                           override this option. Default: 1969.

         --no-max-year-adp-presence-is-optional
                           Check the presence of atomic displacement parameters
                           in all data files regardless of the publication year.
                           Modifies the behaviour of --check-adp-presence.

         --check-temperature-factors
                           Alias of the --check-adp-presence option.
                           Deprecated.

         --max-year-temperature-factors-optional 1969
                           Alias of the --max-year-adp-presence-is-optional option.
                           Deprecated.

         --no-max-year-temperature-factors-optional
                           Alias of the --no-max-year-adp-presence-is-optional option.
                           Deprecated.

         --check-shelx-checksums
                           Validate the checksums of embedded SHELX files.
                           Default.

         --check-embedded-file-integrity

         --check-z

         --check-disorder

         --check-all
                           Enable all available checks.

         --check-none, --dont-check-any,

         --do-not-check-any, --no-check-any
                           Disable all available checks.

         --help, --usage
                           Output a short usage message (this message) and exit.

         --version
                           Output version information and exit.

REPORTING BUGS

       Report cif_cod_check bugs using e-mail: cod-bugs@ibt.lt

                                                                                 CIF_COD_CHECK(1)