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【交流】请高手帮我看看审稿意见中的一句话 已有2人参与
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请高手帮我看看审稿意见中的一句话(如下),这句话是什么意思?我该如何解决?不胜感激! The bond distances and errors presented are in some cases not chemically reasonable/excessively large. 附该晶体的checkcif报告 Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C7 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O9 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O20 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O21 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N1 PLAT342_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 38 PLAT410_ALERT_2_B Short Intra H...H Contact H14A .. H16A .. 1.86 Ang. PLAT234_ALERT_4_B Large Hirshfeld Difference C4 -- C7 .. 0.26 Ang. Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 45 Perc. PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.57 PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.13 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C11 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O8 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O14 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W5 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for W6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O13 PLAT362_ALERT_2_C Short C(sp3)-C(sp2) Bond C4 - C7 ... 1.37 Ang. PLAT362_ALERT_2_C Short C(sp3)-C(sp2) Bond C9 - C18 ... 1.35 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H9B .. H13A .. 1.93 Ang. PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT043_ALERT_1_C Check Reported Molecular Weight ................ 7362.04 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT120_ALERT_1_C Reported SPGR ? Inconsistent with Explicit Pnnn PLAT147_ALERT_1_C su on Symmetry Constrained Cell Angle(s) ....... ? PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 500 Ang. PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ? PLAT731_ALERT_1_C Bond Calc 1.82(2), Rep 1.82(5) ...... 2.50 su-Ra CU2 -N2 1.555 5.756 PLAT751_ALERT_4_C Bond Calc 1.34821, Rep 1.348(15) ...... Senseless su N1 -C10 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.34785, Rep 1.348(15) ...... Senseless su N1 -C12 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.34792, Rep 1.347(15) ...... Senseless su C10 -C11 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.34271, Rep 1.348(15) ...... Senseless su C11 -N2 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.35352, Rep 1.347(15) ...... Senseless su N2 -C12 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.41120, Rep 1.412(12) ...... Senseless su C15 -C15 1.555 3.556 PLAT751_ALERT_4_C Bond Calc 1.36911, Rep 1.369(17) ...... Senseless su N3 -C19 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.36953, Rep 1.369(17) ...... Senseless su N3 -C21 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.36935, Rep 1.369(17) ...... Senseless su C19 -N4 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.36842, Rep 1.368(17) ...... Senseless su N4 -C20 1.555 1.555 PLAT751_ALERT_4_C Bond Calc 1.36073, Rep 1.369(17) ...... Senseless su |
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fmopily
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fmopily
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