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elwew木虫 (正式写手)
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[求助]
21个C类错误，有没有办法修正啊？
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ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none. However values have been given for Tmin and Tmax. Remove these if an absorption correction has not been applied. From the CIF: _exptl_absorpt_correction_T_min 0.984 From the CIF: _exptl_absorpt_correction_T_max 0.992 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 43 Perc. PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 -- C17 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for N1 -- C1 .. 7.0 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C7 -- C27 .. 6.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C13 -- C19 .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 -- C18 .. 6.2 su PLAT234_ALERT_4_C Large Hirshfeld Difference C22 -- C23 .. 0.18 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C22 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0078 Ang -------------------------------------------------------------------------------- |
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2楼2012-04-05 20:38:41
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