checkCIF procedure

PROC-NAME: ABSTY03 Type_1

PURPOSE: To check whether an absoprtion correction has been applied.

PROCEDURE:
TEST

IF _exptl_absorpt_correction_type is given as none
AND _exptl_absorpt_process_details is given
issue ALERT A
   "Alert A The _exptl_absorpt_correction_type has been given as none. However a value has been given for _exptl_absorpt_process_details."

If an absorption correction has been applied then the correct method should be given in the _exptl_absorpt_correction_type field and the values of _exptl_absorpt_correction_T_min and _exptl_absorpt_correction_T_max inserted. If an absorption correction has not been applied then _exptl_absorpt_process_details should be removed.

IF _exptl_absorpt_correction_type is given as none
AND at least one of _exptl_absorpt_correction_T_min and _exptl_absorpt_correction_T_max have values given
issue ALERT C
   "Alert A The _exptl_absorpt_correction_type has been given as none. However values have been given for Tmin and Tmax. Remove these if an absorption correction has not been applied."

If an absorption correction has been applied and values of _exptl_absorpt_correction_T_min and _exptl_absorpt_correction_T_max have been determined then the absorption correction applied should not be none. Some refinement programs insert values for Tmin and Tmax based on the crystal dimensions and the value of mu. These should be removed if no absorption correction has actually been applied.