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[求助]
checkCIF出现的B，C类错误怎么解决已有1人参与
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The following ALERTS were generated. Each ALERT has the format test-name_ALERT_alert-type_alert-level. Click on the hyperlinks for more details of the test. Alert level B PLAT213_ALERT_2_B Atom O2 has ADP max/min Ratio ..... 4.6 prolat PLAT230_ALERT_2_B Hirshfeld Test Diff for S1 -- O1 .. 8.0 s.u. PLAT242_ALERT_2_B Low 'MainMol' Ueq as Compared to Neighbors of S1 Check PLAT415_ALERT_2_B Short Inter D-H..H-X H8B .. H16 .. 2.06 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O8 -- H8B ... Please Check PLAT420_ALERT_2_B D-H Without Acceptor O10 -- H10B ... Please Check Alert level C PLAT018_ALERT_1_C _diffrn_measured_fraction_theta_max .NE. *_full ! Check PLAT220_ALERT_2_C Non-Solvent Resd 1 C Ueq(max)/Ueq(min) Range 3.1 Ratio PLAT220_ALERT_2_C Non-Solvent Resd 1 O Ueq(max)/Ueq(min) Range 4.7 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- O3 .. 6.0 s.u. PLAT230_ALERT_2_C Hirshfeld Test Diff for C33 -- C34 .. 5.8 s.u. PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of C32 Check And 2 other PLAT241 Alerts More ...PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of N1 Check And 2 other PLAT242 Alerts More ...PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.00754 Ang. PLAT355_ALERT_3_C Long O-H (X0.82,N0.98A) O11 - H11A .. 1.04 Ang. 求怎么消除啊！ |
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瘦，够了
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