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laiping0913木虫 (著名写手)
胖胖家族之小胖子
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[求助]
求助，checkcif出现了多种A类错误
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1.the value of sine(theta_max)/wavelength is less than 0.550 calculated sin(theta_max)/wavelength = 0.4650 2.isotropic non-h atoms in main residue(s) ....... 21 report c6 c15 c27 c28 c29 etc. 3.atom c4 has adp max/min ratio ..... 5.6 prolat（这类错误比较多） 4.high 'mainmol' ueq as compared to neighbors of o7 check 5.low 'mainmol' ueq as compared to neighbors of c40 check |
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