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yangjuan8880

银虫 (正式写手)


[交流] 【求助】Acta Cryst 编辑的一个问题,不知该如何解决?

晶体结构不是自己解的,对下面的问题不知道如何回答
Acta Cryst 编辑的一个问题
The instruction file (*.res) of SHELXL97 has not been
included into the cif file .
Please include this file into the cif file.
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yangjuan8880(金币+1): 2010-11-22 15:58:00
现在投稿还要res文件?
2楼2010-11-22 10:46:35
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yangjuan8880

银虫 (正式写手)


引用回帖:
Originally posted by huahua1216 at 2010-11-22 10:46:35:
现在投稿还要res文件?

应该不要res文件,只要CIF和FCF文件,编辑的意思是把res文件添加到CIF中,可是 需要的是整个res文件?还是其中的一部分?
3楼2010-11-22 14:59:00
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yangjuan8880

银虫 (正式写手)


引用回帖:
Originally posted by yangjuan8880 at 2010-11-22 09:39:36:
晶体结构不是自己解的,对下面的问题不知道如何回答
Acta Cryst 编辑的一个问题
The instruction file (*.res) of SHELXL97 has not been
included into the cif file .
Please include this file into the c ...

难道没有人遇到过同样的问题吗?
4楼2010-11-22 15:01:43
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yangjuan8880

银虫 (正式写手)


引用回帖:
Originally posted by yangjuan8880 at 2010-11-22 14:59:00:

应该不要res文件,只要CIF和FCF文件,编辑的意思是把res文件添加到CIF中,可是 需要的是整个res文件?还是其中的一部分?

编辑的原话为:

According to the Notes for Authors for Acta Cryst, please place a copy of the refinement instruction file (SHELXL res file) in the cif item (change question mark to the res file content).
5楼2010-11-22 15:09:07
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chenhong1987

金虫 (小有名气)


yangjuan8880(金币+2): 2010-11-22 15:58:07
引用回帖:
Originally posted by yangjuan8880 at 2010-11-22 15:09:07:

编辑的原话为:

According to the Notes for Authors for Acta Cryst, please place a copy of the refinement instruction file (SHELXL res file) in the cif item (change question mark to the res file ...

你的CIF文件到网上check过么?
6楼2010-11-22 15:42:38
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yangjuan8880

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引用回帖:
Originally posted by chenhong1987 at 2010-11-22 15:42:38:

你的CIF文件到网上check过么?

checkCIF/PLATON results 没有上面提到的问题呀
7楼2010-11-22 15:52:19
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etongtong

铁杆木虫 (著名写手)


没有吧,着问题没有见过。再说也放不进去啊。大概意思是你没有把解析晶体的软件版本放进去吧。

[ Last edited by etongtong on 2010-11-22 at 18:06 ]
8楼2010-11-22 17:45:48
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brilliant

捐助贵宾 (职业作家)


yangjuan8880(金币+7): 2010-11-22 21:59:59
. According to the Notes for Authors for Acta Cryst E please  place a copy of the refinement instruction file (SHELXL res file ) in the item (change question mark to the res file content.

_iucr_refine_instruction_details section
;
?(res file)

Authors are strongly encouraged to use publCIF to place a copy of their refinement instruction file(s) in the _iucr_refine_instruction_details section. This will facilitate the review of the manuscript, particularly when special refinement strategies, such as the use of restraints, have been employed.
用publCIF编辑,加到cif里,将上面问号那行删去,粘贴上res文件就行了
9楼2010-11-22 20:41:05
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