checkCIF procedure

PROC-NAME: DIFMX02 Type_1

PURPOSE: To check that if _refine_diff_density_max is not within expected limits that the adjacent site is identified.

PROCEDURE:
DMAX = _refine_diff_density_max
DTEST = 0.1 * ZMAX

TEST
IF DMAX > DTEST*.75 atom site should be identified.
Issue ALERT C
   "Alert C The minimum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified."

The maximum residual electron density is larger than normally expected. Please specify the name of the nearest atom to this maximum and its distance from the maximum.