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兩個晶體check后出現(xiàn)的A類錯誤請高手幫忙解決 已有3人參與
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第一個:PLAT602_ALERT_2_A VERY LARGE Solvent Accessible VOID(S) in Structure ! Info 第二個:ABSMU01_ALERT_1_A The ratio of given/expected absorption coefficient lies outside the range 0.90 <> 1.10 Calculated value of mu = 0.826 Value of mu given = 3.048 DENSD01_ALERT_1_A The ratio of the submitted crystal density and that calculated from the formula is outside the range 0.90 <> 1.10 Crystal density given = 1.719 Calculated crystal density = 1.422 PLAT046_ALERT_1_A Reported Z, MW and D(calc) are Inconsistent .... 1.422 PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 72.89 % |
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