【关键词】缺少信息
【审稿意见】
There is one Structure in this paper.
The following CIF items are missing from at least one structure:
_cell_measurement_reflns_used
_cell_measurement_theta_min
_cell_measurement_theta_max
_computing_molecular_graphics
_computing_data_collection
_computing_structure_solution
_computing_publication_material
_diffrn_measurement_device_type
_exptl_crystal_description
_exptl_crystal_colour
Please provide *all* missing information.
With an absorption coefficient μ of 10mm^-1, a careful absorption correction must be carried out and reported properly.
On top of the 'noise' generated by the missing absorption correction, there is also most likley extinction present here. Please refine the EXTI parameter after you carried out a proper face absorption correction (which can be done very easily from the pictures of the crystal on the diffractometer).
In the MS, please provide at least one structural drawing showing ADPs of each structure. From these images, any disorder should be visible -- and the nature of the actual molecule must be easily discernible.Please use CheckCif as a guide in the final preparation of these structures. There should be no CheckCif A or B alerts remaining, and if any of them do, you must provide relevant and meaningful vrf entries.The absorption coefficient is given as 10. Absorption correction must be carried out and reported correctly. Tmax is reported as ? and Tmin is given as ?. The absorption correction type is reported as '?'.【分析回复】
当吸收系数μ为10mm^-1时,必须进行仔细的吸收校正并正确报告。
除了由缺失的吸收校正产生的“噪声”之外,这里还存在消光效应。请在进行适当的晶面吸收校正(从衍射仪上的晶体图片可以很容易地完成)后,精修EXTI参数。
在正文中,请至少提供一张结构图,显示每个结构的ADP。从这些图像中,任何无序都应该是可见的——而且实际分子的性质必须很容易辨别。
请在这些结构的最终准备过程中使用CheckCif进行检测。不应存在剩余的CheckCif A或B警报,如果其中任何警报存在,则必须提供相关且有意义的vrf条目。
审稿人首先指出cif中缺失多个项,补充即可,属于低级错误。还指出了需要进行吸收校正和EXTI精修。吸收校正其实作者已经做了,只是未在cif文件中写出,这属于自己给自己找事,需要给审稿人仔细解释。采用消光指令EXTI精修,直接照做即可。总而言之,其实这数据很好,只是cif里缺失很多项,造成审稿人误会,提出大量的意见。审稿人多花点时间好好弄弄数据,后面省去大量时间修改。
如果不知道在审稿前准备什么,点“查看原文”可以参考。
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