编辑说:The reflection 1 0 1 is giving an Alert B on checkcif. It should be ommited.
You should explain the reason for that omission on the refinement_details section of the .cif file saying that it was a reflection ommited due to the fact that Iobs-Ical/ sigmaW ratio was higher than 10.
在checkcif时,衍射点1 0 1产生B级错误。应该省略。
你应该在cif文件的refinement_details section 部分中说明省略的原因,即省略是因为“it was a reflection ommited due to the fact that Iobs-Ical/ sigmaW ratio was higher than 10.”