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adolff

金虫 (小有名气)

[交流] 【求助】编辑提的几个问题如何解决?求助各位虫友。

前几天投了一篇ActaE文章,编辑提了几个问题。不知该如何解决?
1.    The refinement is inconclusive and the structure should be fully
refined with all non-hydrogen atoms with anisotropic thermal displacement
parameters. In the Table of Atomic displacement parameters it is obvious
that the Uij’s for C1 have not been refined.
2.    Please enter all the information in the cif file such as Moiety
formula, space group name_Hall, etc.
3.    Schematic diagram should not show absolute structure as the space group
is centrosymmetric.
4.    Refinement: Please use “HFIX 147” to include the hydroxyl H atom in the
calculated position at the appropriate distance.
本人菜鸟,恳请各位虫友指教,谢谢!
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0000372

木虫 (正式写手)

★ ★
小木虫(金币+0.5):给个红包,谢谢回帖交流
eeqeeq0002(金币+1):谢谢参与 1-25 18:50
你的晶体结构需要精修,还没有完全解完,你请结晶体的人帮你精修一下吧
2楼2010-01-25 15:34:59
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