checkCIF procedure
PROC-NAME: CRYSR01 Type_1PURPOSE: To check that the radius of the crystal is given for a spherical or cylindrical crystal.
PROCEDURE:
(1) If the _exptl_crystal_description contains either 'cylinder' or 'sphere' check for a value of _exptl_crystal_size_rad
IF missing then issue ALERT C "Alert C _exptl_crystal_size_rad not in the CIF when expected."
_exptl_crystal_size_rad is not given in the CIF although _exptl_crystal_description is given as 'cylinder' or 'sphere'. Either give the cylinder or sphere radius or change _exptl_crystal_description to another type. |