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elwew

木虫 (正式写手)

[求助] 编辑给的回信是这样,是不是就发不了单晶了?还有什么补救办法吗

I have reviewed your structure report and before going into any detail I would like to ask whether there is a possibility to find a better crystal? You report only 1862 observed reflections but 268 refined parameters. Since the data/parameter ratio for a properly refined structure should approximately be 10 your data set contains not enough data to refine such a number of parameters. In additon, there are no negative intensities in the data set. Have they been merged? Probably because there were too much of them due to a either very small or unsufficiently diffracting crystal?

If I additionally take into account that for a refinement with a low data/parameter ratio R values are lower due to statistic effects, your structure from my point of view does not meet the standards of Acta E.
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marise

木虫 (小有名气)

【答案】应助回帖

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感谢参与,应助指数 +1
elwew: 金币+1, 有帮助 2012-04-03 09:23:34
lijunjie84: 金币+1, 感谢回帖交流! 2012-04-03 11:52:24
lijunjie84: 金币+1, 欢迎回帖交流!!! 2012-04-03 12:03:20
就是说你晶体的可观测衍射点数量偏少。那个比率一般要10以上吧。审稿人建议选一个更好的晶体重新收录数据。

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4楼2012-04-03 09:14:43
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