NAME

       cif_estimate_Z  -  calculate  Z  value (i.e. the number of "chemical formula units" in the
       unit cell) using the provided cell volume, crystal density and molecular weight.

SYNOPSIS

       cif_estimate_Z --options input1.cif input*.cif

DESCRIPTION

       Calculate Z value (i.e. the number of "chemical formula units" in the unit cell) using the
       provided cell volume, crystal density and molecular weight.

OPTIONS

       --use-perl-parser
                         Use development CIF parser written in Perl.

       --use-c-parser
                         Use faster C/Yacc CIF parser. Default.

       --allow-fractional-z
                         Output also fractional Z values. They most probably
                         indicate errors, but might be needed for data checks.

       --disallow-fractional-z
                         Treat fractional Z values as errors. Default.

       -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.

       --print-header
                         Print TSV stream header (column names).

       --no-header
                         Do not print TSV header. Default.

       --print-datablock-name

       --print-data-block-name
                         Print the name of the data block and the file name.

       --no-datablock-name

       --no-data-block-name
                         Do not print data block name. Default.

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

       --version
                         Output version information and exit.

REPORTING BUGS

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

                                                                                CIF_ESTIMATE_Z(1)