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小阳0725

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专业: 高分子组装与超分子结构

[交流] SYMMG01_ALERT_1_A _symmetry_space_group_number does not match

Alert level A
SYMMG01_ALERT_1_A _symmetry_space_group_number does not match H-M symbol
From the CIF: _space_group_IT_number ÿÿÿÿ
From the CIF: _symmetry_space_group_name_H-M Cc
Int. Tables space group number for Cc is 9
SYMMG02_ALERT_1_A The _symmetry_equiv_pos_as_xyz values are inconsistent
with the H-M symbol given
From the CIF: _symmetry_equiv_pos_as_xyz
x, y, z
x+1/2, y+1/2, z
-x, -y, -z
-x+1/2, -y+1/2, -z
These symops generate the Hall space group symbol -c_1
From the CIF: _symmetry_space_group_name_H-M cc
From the xyz: _symmetry_space_group_name_H-M c_-1
PLAT211_ALERT_2_A ADP of Atom C42 is N.P.D. or (nearly) 2D ... Please Check
怎么解决啊，各位大神

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