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ljymarryltt

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[求助] 有关check cif 的问题 已有1人参与

我在解完晶体检查错误时出现A类错误,请问如何解决?
Alert level A
EXPT005_ALERT_1_A  _exptl_crystal_description is missing
            Crystal habit description.
            The following tests will not be performed.
            CRYSR_01
DENSX01_ALERT_1_A  The ratio of the calculated to measured crystal density
            lies outside the range 0.80 <> 1.20
            Calculated density =      1.399
            Measured density   =      0.000
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ljymarryltt: 金币+10, ★★★★★最佳答案, 找到啦,多谢! 2015-01-19 15:56:31
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2楼2015-01-19 15:30:33
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ljymarryltt

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引用回帖:
2楼: Originally posted by lich666 at 2015-01-19 15:30:33
_exptl_crystal_description 后面补一个"block"或者"prism"

Measured density   后面把0变成问号?

是在哪个文件里改?
3楼2015-01-19 15:50:47
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ljymarryltt

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引用回帖:
2楼: Originally posted by lich666 at 2015-01-19 15:30:33
_exptl_crystal_description 后面补一个"block"或者"prism"

Measured density   后面把0变成问号?

那我想再请问下 这样的B类错误是如何解决呢?本人初学解晶体,好多问题都不懂,拜托啦!

Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          1 Report
4楼2015-01-19 16:02:07
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5楼2015-01-19 17:01:16
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