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今天检查一下cif文件，人家给的回复好像是我的cif文件有句法错误，没有出现什么A，B类错误，说是先改了这些错误才可以继续检查，我想问一下我如何才能打开我的cif文件，如何开始改呢？下面是他给我的回复 Syntax problems Your CIF has syntax errors as listed below. No further checks will be performed. Please fix and recheck your CIF. -------------------------------------------------------------------------------- CIF ERROR: Line 1 exceeds 80 characters *** The indicated line is longer than the maximum 80 characters permitted in the CIF specification. ERROR: File begins incorrectly with text (Diamond) at line 1 >>> "Diamond" *** The CIF must begin with a data_ block header and contain datanames and data values in conformance with the CIF specification. ERROR: Unexpected string (3) 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 (Document) at line 1 ERROR: Unexpected string (\) at line 1 ERROR: Unexpected string (070610b) at line 1 ERROR: Unexpected string ((}) at line 1 ERROR: Unexpected string (8,) at line 1 ERROR: Unexpected string (@(}) at line 1 ERROR: Unexpected string (8,) at line 1 ERROR: Unexpected string (@) at line 1 ERROR: Unexpected string (070610b) at line 1 ERROR: Unexpected string (,) at line 1 ERROR: Unexpected string (SHELXL-97) at line 2 >>> " SHELXL-97" ERROR: Unexpected string (Ni2) at line 2 ERROR: Unexpected string (N8) at line 2 ERROR: Unexpected string (H24) at line 2 ERROR: Unexpected string (O2) at line 2 ERROR: Unexpected string (C12) at line 2 ERROR: Unexpected string (NOP4Q6R12) at line 3 >>> " NOP4Q6R12" ------------------------------------------------------------------------- Only the first 20 errors are printed out. Please fix these and try again! ------------------------------------------------------------------------- 问题很弱吧，但是不会呀，厚着脸皮请教大家  |
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知道了,文件被损坏了,怪不得我在这里画图时总感觉不对.幸好有备份!!重新检查了,内容如下,还是想请大家帮我看看: 4 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 17 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 13 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check 通过这个可以知道我的晶体有可能符合杂志的要求吗？acter E 要求必须没有A、B类错误对吗？ |
3楼2007-10-22 19:00:06
2楼2007-10-22 18:25:16
