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qingxin1020

新虫 (小有名气)

应助: 0 (幼儿园)
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在线: 26.2小时
虫号: 1367004
注册: 2011-08-12
性别: MM
专业: 合成药物化学

[求助] 晶体出现以下B和C错误，应该怎么改啊，主要是B怎么改，谢谢

Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for C3    --  C4    ..       9.3 su
--------------------------------------------------------------------------------
Alert level C
STRVA01_ALERT_4_C          Flack parameter is too small
         From the CIF: _refine_ls_abs_structure_Flack -0.700
         From the CIF: _refine_ls_abs_structure_Flack_su 1.500
PLAT033_ALERT_4_C Flack x Parameter Value Deviates from Zero .....    -0.700
PLAT230_ALERT_2_C Hirshfeld Test Diff for O5    --  N1    ..       6.7 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 --  C20    ..       5.5 su
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       C8
PLAT242_ALERT_2_C Check Low    Ueq as Compared to Neighbors for       C19
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C16 -C21          1.37 Ang.
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.0041 Ang
--------------------------------------------------------------------------------

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