审稿意见240430-数据质量

文摘   科学   2024-05-02 09:55   北京  

【关键词】数据质量

【正文】

Since the structural characterization is the major focus of the work, the major issue is the crystal quality.  Compound x has a R1=8% and compounds y and z are over 10% for R1.  These are not due to adsorption correction issues as stated in the checkCIF, but likely twinning and/or disorder in these relatively flexible structures.  They even state in the checkCIF that the errors likely arise from poor data quality. This is a major issue if three of the six compounds have R values that are not typically acceptable for publication (R1>5% and high Rint values) and this is paper that is focusing so heavily on structural features.  If the data quality was improved, then I feel this manuscript would be better suited for a journal with a focus on crystal structures and design of these materials. However, I want to emphasize that the data quality needs to be improved.

审稿人指出,由于结构表征是这项工作的主要焦点,因此主要问题是晶体质量。化合物x的R1=8%,化合物y和z的R1超过10%。这不是由于checkCIF中所述的吸收校正问题引起的,而是这些相对柔性结构中可能的孪晶和/或无序。甚至在checkCIF中声明,错误可能是由较差的数据质量引起的。六种化合物中有三种的R值通常不可接受(R1>5%和高Rint值),并且这篇论文非常关注结构特征,那么这就是一个主要问题。如果数据质量有所提高,那么我觉得这份手稿将更适合于本期刊。然而,我想强调的是,数据质量需要提高。

审稿人已经说的很清楚,按照他的要求修改就行。先重新收收据,使Rint降低,然后再精修无序即可。一般来说,晶体学专业期刊,对晶体质量要求高,投稿时需要格外注意这点。


本公众号永远免费且无任何广告。
如需交流或合作可加公众号微信进微信群:dayouzidanjing
或qq群:653906413(群内有软件下载)



单晶X射线衍射结构测定
本公众号关注于单晶X射线衍射结构测定,包括单晶生长、上机测试,数据处理、结构粗解和精修等等。公益教学,永久无广告,永久免费。
 最新文章