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liuyupu132木虫 (正式写手)
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求解 A B 类错误
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SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 2.627 Additional refinement cycles may be required. 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, y+1/2, -z -x, -y, -z x, -y-1/2, z These symops generate the Hall space group symbol -p_2yb From the CIF: _symmetry_space_group_name_H-M p21 From the xyz: _symmetry_space_group_name_H-M p_1_21/m_1 ALERT 4 symops in cif, 2 symops generated PLAT080_ALERT_2_A Maximum Shift/Error ............................ 2.63 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C2 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C5 PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 28 |
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xi2004
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