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huangxishan13
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[求助]
一個(gè)A類警告,如何解決 ,高手請(qǐng)出招.
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Alert level A CHEMW03_ALERT_2_A ALERT: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.90 <> 1.10 From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_weight 264.23 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 26.00 312.29 H 1.01 24.00 24.19 O 16.00 12.00 191.99 Calculated formula weight 528.47 PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 264.23 PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 99.92 % |
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