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北京石油化工学院2026年研究生招生接收调剂公告
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gerryangel

木虫 (正式写手)

[求助] CC投稿审稿人要求check-cif的PDF 有ABG类错误可以吗 已有1人参与

我的已经申请到CCDC号了,以为单晶没有问题。
可是CC投稿审稿人要求check-cif的PDF
有ABG类错误可以提交给编辑吗,
Alert level A
DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing
Diffractometer make and type. Replaces _diffrn_measurement_type.
Alert level B
PLAT414_ALERT_2_B Short Intra D-H..H-X H1 .. H13A .. 1.89 Ang.
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) Range 4.1 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) ... 4.6 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for C20 -- C21 .. 5.5 su
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C1 Check
PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C17 Check
PLAT414_ALERT_2_C Short Intra D-H..H-X H1 .. H12C .. 1.93 Ang.
Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do !
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 1 Report
PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check
PLAT093_ALERT_1_G No su’s on H-positions, refinement reported as . mixed Check
PLAT793_ALERT_4_G The Model has Chirality at C22 (Centro SPGR) S Verify
PLAT899_ALERT_4_G SHELXL97 is Deprecated and Succeeded by SHELXL 2014 Note
1 ALERT level A = Most likely a serious problem - resolve or explain
1 ALERT level B = A potentially serious problem, consider carefully
6 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
3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
6 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
2 ALERT type 4 Improvement, methodology, query or suggestion
2 ALERT type 5 Informative message, check
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yd-lxy

铁杆木虫 (著名写手)

我有8个C类,7个G类!有事么?投CC也是
3楼2015-09-13 14:15:49
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szjfsjw

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
gerryangel: 金币+5, ★★★很有帮助 2015-09-05 23:02:00
一般AB类错误不能出现的,C类以后的是允许的,除非你特别给编辑注明是什么原因导致出现的AB类错误
我不是专业搞这个的,但我看你的文件好像请解晶体的高手是可以消除这些错误的
科研真不是人搞的
2楼2015-09-02 15:32:43
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