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amyxudi: 金币+5 2014-10-17 22:27:59
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11楼2014-10-16 12:03:01
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9楼: Originally posted by amyxudi at 2014-10-16 11:02:28
输入到ins文件中?...

第一个alert 是在ins里手动输入下面其中一个吗(根据实际情况选择)
  Options are 'rm', 'ad', 'rmad', 'syn', 'unk' or '.'
rm   : absolute configuration established by the structure determination   
        of a compound containing a chiral reference molecule of known   
        absolute configuration.
ad   : absolute configuration established by anomalous dispersion effects  
        in diffraction measurements on the crystal.
rmad : absolute configuration established by the structure determination   
        of a compound containing a chiral reference molecule of known   
        absolute configuration and confirmed by anomalous dispersion
        effects in diffraction measurements on the crystal.
syn  : absolute configuration has not been established by anomalous
        dispersion effects in diffraction measurements on the crystal.  
        The enantiomer has been assigned by reference to an unchanging  
        chiral centre in the synthetic procedure.   
unk  : absolute configuration is unknown, there being no firm chemical
        evidence for its assignment to hand and it having not been  
        established by anomalous dispersion effects in diffraction  
        measurements on the crystal. An arbitrary choice of enantiomer  
        has been made.  
.    : inapplicable.
12楼2020-05-20 11:36:22
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