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zm205

木虫 (小有名气)

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[交流] 求助，十万火急，上传structure factors文件错误。

用checkcif 检查了没有a级错误，然后按步骤上传，但是途中遇到了上传structure factors文件，以前怎么没有遇到过啊，这个事要上传什么东东啊？是res文件吗，试了好多都不对，而且出现：Your file is not in CIF format or has CIF syntax errors.

ERROR: File begins incorrectly with text (TITL) at line 1
>>> "TITL"
*** The CIF must begin with a data_ block header and contain datanames and
data values in conformance with the CIF specification.
ERROR: Unexpected string (X) 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 (in) at line 1
ERROR: Unexpected string (P2(1)2(1)2(1)) at line 1
ERROR: Unexpected string (CELL) at line 2
>>> "CELL"
ERROR: Unexpected string (0.71073) at line 2
ERROR: Unexpected string (6.9730) at line 2
ERROR: Unexpected string (14.7470) at line 2
ERROR: Unexpected string (19.9160) at line 2
ERROR: Unexpected string (90.000) at line 2
ERROR: Unexpected string (90.000) at line 2
ERROR: Unexpected string (90.000) at line 2
ERROR: Unexpected string (ZERR) at line 3
>>> "ZERR"
ERROR: Unexpected string (4.00) at line 3
ERROR: Unexpected string (0.0014) at line 3

ERROR: Unexpected string (0.0029) at line 3
ERROR: Unexpected string (0.0040) at line 3
ERROR: Unexpected string (0.000) at line 3
ERROR: Unexpected string (0.000) at line 3
ERROR: Unexpected string (0.000) at line 3
应该怎么解决啊

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