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nkwlzhang木蟲(chóng) (正式寫(xiě)手)
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[交流]
ACTA E修改意見(jiàn),不懂 已有2人參與
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我不懂結(jié)構(gòu)解析,找別人幫忙解的,下面是返回的修改意見(jiàn): I am wondering if you have made any attempts to perform a numerical absorption correction. The nature of the sample in question might require this and the residual peaks in the Fourier map, which in the current version generate a level-A alert might be improved substantially. There is even a huge difference between the estimated values of Tmin and Tmax and the reported values. 1.怎么知道做沒(méi)做numerical absorption correction?能從解結(jié)構(gòu)后的那幾個(gè)文件中看出來(lái)嗎? 2.第二句話說(shuō)產(chǎn)生了A類(lèi)錯(cuò)誤,我提交的cif文件的檢查結(jié)果中沒(méi)有A類(lèi)和B類(lèi)錯(cuò)誤,不明白審稿人說(shuō)的什么意思。 3.There is even a huge difference between the estimated values of Tmin and Tmax and the reported values. estimated values為0.005,0.033 reported values為0.289,1.000。為什么會(huì)差這么多?怎么修改? [ Last edited by nkwlzhang on 2012-2-21 at 10:12 ] |
木蟲(chóng) (正式寫(xiě)手)
至尊木蟲(chóng) (著名寫(xiě)手)
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_exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.807 _exptl_absorpt_correction_T_max 0.807 在cif文件中你填寫(xiě)“_exptl_absorpt_correction_type multi-scan”這一項(xiàng)沒(méi)有? 如果填寫(xiě)了就會(huì)在check cif時(shí)產(chǎn)生一個(gè)Tmin和Tmax,直接把它復(fù)制到你cif文件的 _exptl_absorpt_correction_T_min xxx _exptl_absorpt_correction_T_max xxx 就可以了 。 |
至尊木蟲(chóng) (職業(yè)作家)

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