我投了一篇晶体类的文章,审稿人提出了一个关于晶体的问题,请高手指教!
There are issues with the crystallography that must be addressed. The checkcif report still has numerous A- and B-alerts that need to be addressed. For such a simple structure, the R-value is relatively high. Why aren’t there H-atoms on the water molecules? Was any attempt made to locate them? Can they be put in at their calculated positions and refined? Comments to this end needs to be made.
以上就是审稿人的问题,要求解释,我这是一个含有水簇的结构,水上没加氢!R值0.06,Rint值0.03。请指教!