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gerryangel木蟲 (正式寫手)
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[求助]
CC投稿審稿人要求check-cif的PDF 有ABG類錯(cuò)誤可以嗎 已有1人參與
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我的已經(jīng)申請(qǐng)到CCDC號(hào)了，以為單晶沒有問題。 可是CC投稿審稿人要求check-cif的PDF 有ABG類錯(cuò)誤可以提交給編輯嗎， 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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