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zzl821

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[求助] 求助几个A类错误

checkCIF后有以下A类错误，怎么改啊，不懂
Alert level A
DIFF005_ALERT_1_A  _diffrn_measurement_method is missing
         Mode of intensity measurement and scan.
ABSMU01_ALERT_1_A  The ratio of given/expected absorption coefficient lies
            outside the range 0.90 <> 1.10
         Calculated value of mu =    0.884
         Value of mu given    =    6.195
ABSTY01_ALERT_1_A  The absorption correction should be one of the following
         *  none
         *  analytical
         *  integration
         *  numerical
         *  gaussian
         *  empirical
         *  psi-scan
         *  multi-scan
         *  refdelf
         *  sphere
         *  cylinder
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .    85.73 Perc.
PLAT057_ALERT_3_A Correction for Absorption Required RT(exp) ...    2.02

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1楼2011-05-03 14:27:51

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帝夫(金币+2): 感谢您的回复！欢迎常来晶体版指导交流~ 2011-05-04 10:49:05
zzl821(金币+5): 2011-05-04 14:46:40

引用回帖:

Originally posted by zzl821 at 2011-05-03 14:27:51:
checkCIF后有以下A类错误，怎么改啊，不懂
Alert level A
DIFF005_ALERT_1_A  _diffrn_measurement_method is missing
         Mode of intensity measurement and scan.
ABSMU01_ALERT_1_A  The ratio o ...

1.2.4两个把分子式跟Z值修改一下就没问题了
3.5吸收校正的方法填一下，如multi-scan
完了精修就可以啦！

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3楼2011-05-03 17:09:39

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