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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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ljmmarise

至尊木虫 (著名写手)

【答案】应助回帖

★ ★
感谢参与,应助指数 +1
drg1984: 金币+1, 谢谢! 2012-04-04 22:50:03
linhua0402313: 金币+1, 感谢回帖交流!确实重修数据是不行了,只有重新挑晶体重录了 2012-04-05 15:18:33
那个比率是修不了的,只有重修找个更好质量的晶体重新收录数据,估计就可以。

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6楼2012-04-03 13:14:26
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