checkCIF procedure

PROC-NAME: DENSM01 Type_1

PURPOSE: To check that the _exptl_crystal_density_meas is supplied is the _exptl_crystal_density_method is present.

PROCEDURE: IF _exptl_crystal_density_method != 'none'
AND != 'not measured'
AND != '?'
AND _exptl_crystal_density_meas == '?'
issue ALERT B
   "Alert B _exptl_crystal_density_method is given but no value of _exptl_crystal_density_meas is reported."

You have given the method used to determine the density of the crystal under _exptl_crystal_density_method, but have forgotten to specify the experimentally measured density under _exptl_crystal_density_meas. If you have not actually determined the density experimentally, then set _exptl_crystal_density_method to 'not measured'. The experimentally measured density should not be confused with the calculated density derived from the unit cell volume and contents which should be specified under _exptl_crystal_density_diffrn.