cif_find_duplicates() | cif_find_duplicates() |
cif_find_duplicates - Find COD numbers for the .cif files in given directories of file lists.
cif_find_duplicates --options my-cif-dir1/ my-cif-dir2/files*.cif COD-cif-dir/
Find COD numbers for the .cif files in given directories of file lists.
-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.
--max-cell-length-difference 0.5
Maximum difference of unit cell lengths allowed for
entries regarded as the same, in angstroms
(default 0.5).
--max-cell-angle-difference 1.2
Maximum difference of unit cell angles allowed for
entries regarded as the same, in angstroms
(default 1.2).
--check-bibliography
Only CIFs that have different bibliography data are
declared different if all other parameters match.
CIFs with missing bibliographies are assumed to have
matching bibliographies (default).
--dont-check-bibliography, --no-check-bibliography
Ignore bibliographic data of all CIFs; thus even files
with different bibliographies will be regarded the same
if their cells, chemical formulae and measurement
conditions match.
--ignore-sigma, --dont-use-sigma, --no-use-sigma
Ignore standard uncertainties (sigmas) when comparing
unit cell constants.
--dont-ignore-sigma, --no-ignore-sigma, --use-sigma
Use standard deviations (sigmas) when comparing unit
cell constants (default).
--check-sample-history
Only CIFs that have different sample history data
(as recorded in the _exptl_crystal_thermal_history
and _exptl_crystal_pressure_history tags) are declared
different if all other parameters match.
--dont-check-sample-history,
--no-check-sample-history,
--disregard-sample-history
Ignore sample history of all CIFs; thus even files
with different sample histories will be regarded the
same if their cells, chemical formulae and measurement
conditions match (default).
--continue-on-errors
Do not terminate script if errors are raised.
--die-on-errors, --dont-continue-on-errors,
--do-not-continue-on-errors, --no-continue-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 to parse CIF files.
--use-c-parser
Use C parser to parse CIF files (default).
--help, --usage
Output a short usage message (this message) and exit.
--version
Output version information and exit.
Report cif_find_duplicates bugs using e-mail: cod-bugs@ibt.lt