PROC-NAME: DIFMN03 Type_1
PURPOSE: To check that if _refine_diff_density_min is not within expected
limits that the adjacent site is identified.
DMIN = _refine_diff_density_min
DTEST = 0.1 * ZMAX
IF DMIN < -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 minimum residual electron density is more negative
than normally expected. Please specify the name of the nearest atom
to this minimum and its distance from the minimum.
Full list of validation algorithms
Copyright © International Union of Crystallography