CheckCIF-DIFMN01

PROC-NAME: DIFMN01 Type_1

PURPOSE: To check that _refine_diff_density_min is less than _refine_diff_density_max.

PROCEDURE:

TEST

IF _refine_diff_density_min >= _refine_diff_density_max

issue ALERT A

         "Alert A The minimum difference density cannot exceed the maximum difference density"

        You have given the minimum residual electron density with a value greater than the maximum residual electron density. Check that you have not accidentally reversed these values, and that you have not forgotten the negative sign for the minimum residual electron density.

(http://journals.iucr.org/services/cif/checking/DIFMN_01.html)

目的：检查_refine_diff_density_min是否小于_refine_diff_density_max。

过程：

检查

若_refine_diff_density_min大于或等于_refine_diff_density_max

则发布A级警告

         "Alert A The minimum difference density cannot exceed the maximum difference density"

        给定的最小残余电子密度值大于最大残余电子密度值。检查你是否意外颠倒这些数值，以及是否忘记最小残余电子密度的负号。

警告原因：最小残余电子密度值大于最大残余电子密度值

解决策略：检查是否将这两个数值写反了，若是，则改正。