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请高手看看B类错误，谢谢！
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请看看怎么解释，准备投ACTA E,谢谢！！！ 如何解释，如果解释要到哪里去解释？ Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 36 Perc. PLAT230_ALERT_2_B Hirshfeld Test Diff for C9 -- C10 .. 19.18 su PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C10 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C9 PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang ... 15 PLAT024_ALERT_4_B Merging of Friedel Pairs is STRONGLY Indicated . ! ________________________________________ Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 1.000 From the CIF: _refine_ls_abs_structure_Flack_su 3.000 WEIGH01_ALERT_1_C Extra text has been found in the _refine_ls_weighting_scheme field. This should be in the _refine_ls_weighting_details field. Weighting scheme given as calc w=1/[\s^2^(Fo^2^)+(0.0740P)^2^+0.0000 Weighting scheme identified as calc PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.85 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.46 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O4 -- C7 .. 5.48 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O5 -- C7 .. 5.63 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O6 -- C9 .. 5.04 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C9 - C10 ... 1.54 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 41.00 A**3 PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 3.00 PLAT033_ALERT_4_C Flack Parameter Value Deviates from Zero ....... 1.00 PLAT731_ALERT_1_C Bond Calc 1.54(2), Rep 1.536(9) ...... 2.22 su-Ra C9 -C10 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 1.32(2), Rep 1.316(9) ...... 2.22 su-Ra C10 -C12 1.555 1.555 |
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xi2004
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