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zhangxm1979鐵桿木蟲 (正式寫手)
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[求助]
審稿人提的晶體結(jié)構(gòu)的問題,怎么解決? 已有2人參與
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Aromatic H atoms ill-defined No evidence for H atoms at O6 No evidence for H atoms at N2 in (CH~3~)NH~2~ No evidence for methyl H atoms in (CH~3~)NH~2~ |
用戶注銷 (知名作家)
精修問題可私信
用戶注銷 (知名作家)
精修問題可私信
專家顧問 (著名寫手)
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專家經(jīng)驗(yàn): +759 |
鐵桿木蟲 (正式寫手)
鐵桿木蟲 (正式寫手)
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我還有個(gè)數(shù)據(jù)審稿人也提了些問題我修不好,你能否幫我修修, 1. Aromatic H atoms ill-defined. DMF molecule ill-edefined No evidence for H atoms at O6 or O8 or H atom at O5 Maxima adjacent to Cd1 and Cd2. Are the chemical types correct? 2. As pointed out previously, routine checks show that the DMF and H~2~O of solvation lie on a mirror plane with half-occupancy. However the anomalously large U~eq~ and U~ii~ values for O7,N3,C10.C11.C12 are entirely consistent with the occupancies of these sites less than the assigned 0.5 value. Accordingly it is recommended that the refinement be redone while allowing a free-variable occupancy parameter to be refined for water O8 while another free-variable occupancy parameter is refined for the DMF molecule 最難的是第二個(gè)問題,你能幫我修修嗎? |
用戶注銷 (知名作家)
精修問題可私信
鐵桿木蟲 (正式寫手)
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非常感謝, |
用戶注銷 (知名作家)
精修問題可私信
鐵桿木蟲 (正式寫手)
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