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renhuijunt

新虫 (小有名气)

[求助] checkcif时出现 syntax errors,请教这个错误怎么修改 已有2人参与

checkcif时出现了以下错误,不知道怎么修改,尝试了几次都不行,请问这种错误大家都是怎么修改的呢?
Your structure factor file has syntax errors as listed below. As a result the full set of tests cannot be run.
ERROR: File begins incorrectly with text (0) at line 1
>>> "   0"
*** The CIF must begin with a data_ block header and contain datanames and
    data values in conformance with the CIF specification.
ERROR: Unexpected string (0) at line 1
*** There is an unexpected word or number as indicated. This may be because
    a loop is intended but the loop_ keyword has been missed out; or a phrase
    with several words is not enclosed in matching delimiting quote marks;
    or a text field (extending over several lines) is not properly closed
    with a final semicolon; or a data_ block header has not yet been seen.
ERROR: Unexpected string (-3) at line 1
ERROR: Unexpected string (1.08) at line 1
ERROR: Unexpected string (0.87) at line 1
ERROR: Unexpected string (0) at line 2
>>> "   0"
ERROR: Unexpected string (0) at line 2
ERROR: Unexpected string (3) at line 2
ERROR: Unexpected string (0.49) at line 2
ERROR: Unexpected string (0.67) at line 2
ERROR: Unexpected string (0) at line 3
>>> "   0"
ERROR: Unexpected string (0) at line 3
ERROR: Unexpected string (3) at line 3
ERROR: Unexpected string (0.14) at line 3
ERROR: Unexpected string (0.17) at line 3
ERROR: Unexpected string (0) at line 4
>>> "   0"
ERROR: Unexpected string (0) at line 4
ERROR: Unexpected string (3) at line 4
ERROR: Unexpected string (0.55) at line 4
ERROR: Unexpected string (0.81) at line 4
-------------------------------------------------------------------------
Only the first 20 errors are printed out. Please fix these and try again!
-------------------------------------------------------------------------
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rogersystop

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【答案】应助回帖

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renhuijunt: 金币+8 2014-05-05 16:41:05

如果选择Full validation of CIF and structure factors 的话,第一步传cif,第二步传fcf……
其实一般只要选Validation of CIF only (no structure factors)然后只传cif就行了。
8楼2014-05-04 23:58:34
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jackdeng

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【答案】应助回帖

感谢参与,应助指数 +1
把你的cif发给我帮你看看 jackdeng_2001@163.com
2楼2014-05-04 21:26:30
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renhuijunt

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引用回帖:
2楼: Originally posted by jackdeng at 2014-05-04 21:26:30
把你的cif发给我帮你看看 jackdeng_2001@163.com

您好,syntax errors是在我往cif文件中添加了晶体描述和颜色之后才出现的,您知道这是什么原因造成的吗?谢谢
3楼2014-05-04 21:35:08
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jackdeng

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引用回帖:
3楼: Originally posted by renhuijunt at 2014-05-04 21:35:08
您好,syntax errors是在我往cif文件中添加了晶体描述和颜色之后才出现的,您知道这是什么原因造成的吗?谢谢...

那你的晶体外观和颜色描述是一个单词吗,如果不是的话,你将描述放在单引号之内再检查一下。
4楼2014-05-04 21:57:34
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