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其识灼灼

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[求助] B类错误该怎么解决

大家帮我看看checkcif文件中的B类错误,该怎么解决,多谢!


PLAT035_ALERT_1_B _chemical_absolute_configuration Info Not Given Please Do !
PLAT213_ALERT_2_B Atom C7 has ADP max/min Ratio ..... 4.2 prolat
PLAT230_ALERT_2_B Hirshfeld Test Diff for P1 --O1 . 9.3 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for P1 --N1 . 10.3 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for N2 --C24 . 10.7 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C9 --C10 . 7.7 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C12 --C13 . 8.5 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C13 --C14 . 8.0 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C20 --C21 . 7.2 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C23 --C24 . 8.9 s.u.
PLAT230_ALERT_2_B Hirshfeld Test Diff for C30 --C31 . 11.1 s.u.
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.01214 Ang.
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可能需要做无序处理吧
以大多数人的努力程度,还轮不到去拼天赋的地步
2楼2019-04-26 18:08:49
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