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hcht2006

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[求助] 求助一个关于加H限制精修的审稿问题

Please check the H restraints definitions in Experimental (they would be in the SHELXL file if it had been submitted).

It would be helpful to include the final SHELXL input files within the CIF (under a _iucr_refine_instruction_details section.

[ Last edited by hcht2006 on 2011-5-25 at 09:42 ]
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xiaojing7759

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【答案】应助回帖

hcht2006(金币+10): 2011-05-26 13:50:55
学了两招,小木虫的牛人真多!
8楼2011-05-25 15:05:34
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lgzhu1964

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drg1984(金币+1): 谢谢回帖应助! 2011-05-25 11:03:03
hcht2006(金币+5): 2011-05-25 14:34:22
引用回帖:
Originally posted by hcht2006 at 2011-05-25 09:28:21:
Please check the H restraints definitions in Experimental (they would be in the SHELXL file if it had been submitted).

It would be helpful to include the final SHELXL input files within the CIF  ...

意思是文章中对于氢精修的描述可能与Shelxl的输入文件不符,如果精修描述应该是你确实进行了的命令,不要乱写。
2楼2011-05-25 10:29:45
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hcht2006

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drg1984: 哪些方面? 2011-05-25 11:03:35
引用回帖:
Originally posted by lgzhu1964 at 2011-05-25 10:29:45:
意思是文章中对于氢精修的描述可能与Shelxl的输入文件不符,如果精修描述应该是你确实进行了的命令,不要乱写。

请详细指教
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3楼2011-05-25 10:36:45
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etongtong

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drg1984(金币+1): 谢谢指教! 2011-05-25 11:03:49
refine_instruction_details section要描述你的加氢方式,也就是对氢的限制是-1.2还是-1.5。
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4楼2011-05-25 10:38:34
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