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刚试解了一个结构，checkcif 结果如下，请高手指点迷津，增加点信心！
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Alert level A ABSTM02_ALERT_3_A Test not performed as the _exptl_absorpt_correction_type has not been identified. See test ABSTY_01. 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 0.312 Additional refinement cycles may be required. PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.92 PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ? PLAT080_ALERT_2_A Maximum Shift/Error ............................ 0.31 PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ ? PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C1 Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.55 Ratio PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C5 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C6 |
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3楼2007-08-30 09:07:36