晶体数据审稿意见-原子标签

DJ_Tokyo

晶体数据审稿意见-原子标签

审稿意见：

In addition, all seven of the structures were refined withoutproperly labeling or sorting the atoms in the structure, and these labels don'tmatch what's given elsewhere in the manuscript. For example, the current labelsfor the heteroatoms in the CIF of molecule 1aare B00P, O001, N002, N003 and N004 but in Figure 2, they are B, O1, N1 and N3.Please assign sensible labels to the atoms in all seven of the structures, andthen update the figures and tables in the manuscript and SI to match thecorrect labels.

大意：

此外，所有7种结构都在没有正确标记或排序结构中原子的情况下进行了精修，这些标签与手稿中其他地方给出的标签不符。例如，分子1a的CIF中杂原子的当前标记是B00P、O001、N002、N003和N004，但在图2中，它们是B、O1、N1和N3。请为所有7个结构中的原子分配合理的标签，然后更新手稿和支持材料中的图表以匹配正确的标签。

视频讲解请参阅：

晶体数据审稿意见-原子标签：https://www.bilibili.com/video/BV17N1SYXEG3

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声明：本文仅代表个人观点，笔者学识有限，资料整理过程中可能存在疏漏错误，请不吝指正。