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rcliutao

金虫 (正式写手)

应助: 0 (幼儿园)
金币: 2077.8
散金: 100
帖子: 505
在线: 428.2小时
虫号: 627915
注册: 2008-10-16
性别: GG
专业: 电化学

[求助] 求助

Alert level A
PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........ Please Do !
PLAT213_ALERT_2_A Atom C37 has ADP max/min Ratio ..... 7.0 prolat
PLAT213_ALERT_2_A Atom C53 has ADP max/min Ratio ..... 5.5 prolat
PLAT213_ALERT_2_A Atom C66 has ADP max/min Ratio ..... 5.1 prolat
PLAT242_ALERT_2_A Low Ueq as Compared to Neighbors for ..... C25 Check
PLAT242_ALERT_2_A Low Ueq as Compared to Neighbors for ..... C36 Check
PLAT242_ALERT_2_A Low Ueq as Compared to Neighbors for ..... C52 Check
PLAT242_ALERT_2_A Low Ueq as Compared to Neighbors for ..... C92 Check
PLAT412_ALERT_2_A Short Intra XH3 .. XHn H33 .. H39C .. 1.66 Ang.
PLAT412_ALERT_2_A Short Intra XH3 .. XHn H37C .. H39A .. 1.53 Ang.
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 1101 Ang3
Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 37 %
PLAT213_ALERT_2_B Atom C26 has ADP max/min Ratio ..... 4.7 prolat
PLAT213_ALERT_2_B Atom C27 has ADP max/min Ratio ..... 4.3 prolat
PLAT213_ALERT_2_B Atom C28 has ADP max/min Ratio ..... 4.6 prolat
PLAT213_ALERT_2_B Atom C38 has ADP max/min Ratio ..... 4.1 prolat
PLAT213_ALERT_2_B Atom C54 has ADP max/min Ratio ..... 4.2 prolat
PLAT213_ALERT_2_B Atom C55 has ADP max/min Ratio ..... 4.6 prolat
PLAT213_ALERT_2_B Atom C93 has ADP max/min Ratio ..... 4.4 prolat
PLAT213_ALERT_2_B Atom C94 has ADP max/min Ratio ..... 4.5 prolat
PLAT213_ALERT_2_B Atom C95 has ADP max/min Ratio ..... 4.1 prolat
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 7.3 Ratio
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 7.9 Ratio
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 7.1 Ratio
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 7.2 Ratio
PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 7.6 Ratio
PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 8.1 Ratio
PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 7.5 Ratio
PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 8.0 Ratio
PLAT234_ALERT_4_B Large Hirshfeld Difference C36 -- C39 .. 0.28 Ang.
PLAT234_ALERT_4_B Large Hirshfeld Difference C65 -- C68 .. 0.28 Ang.
PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C9 Check
PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C65 Check
PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C80 Check
PLAT360_ALERT_2_B Short C(sp3)-C(sp3) Bond C25 - C26 ... 1.32 Ang.
PLAT412_ALERT_2_B Short Intra XH3 .. XHn H38B .. H39B .. 1.78 Ang.
PLAT412_ALERT_2_B Short Intra XH3 .. XHn H87 .. H94C .. 1.79 Ang.
PLAT412_ALERT_2_B Short Intra XH3 .. XHn H93C .. H94B .. 1.79 Ang.

这样的错误可以修改不？

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