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cheap_81

铁杆木虫 (著名写手)

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在线: 635.9小时
虫号: 665141
注册: 2008-11-30
性别: GG
专业: 理论和计算化学

[求助] 不同网站晶体check结果不一样？

新手
http://checkcif.iucr.org/
http://journals.iucr.org/services/cif/checking/checkform.html
就是以上两个
后面那个check比前者多出现了A类错误
C类和g类均有出现
请问是什么意思？
谢谢

Alert level A
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
         Crystal habit description.
         The following tests will not be performed.
         CRYSR_01
EXPT010_ALERT_1_A  _exptl_crystal_colour (_pd_char_colour for powder) is missing
         Crystal colour.
         The following tests will not be performed.
         CRYSC_01
Alert level C
PLAT048_ALERT_1_C MoietyFormula Not Given ........................       ?
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax  < 18) .....    7.47
PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given .....       ?
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.0098 Ang
Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .       3
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF       ?
PLAT093_ALERT_1_G No su's on H-positions, refinement reported as .    mixed
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature       293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature       293 K
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............       2 Times
2 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
6 ALERT level G = General information/check it is not something unexpected

6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
3 ALERT type 5 Informative message, check

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