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wangpei228

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[交流] 【求助】求指点！！！求帮助！！！

本人遇到一系列问题，老板让自己的事自己做，我直接想到的就是小木虫！！！
--------------------------------------------------------------------------------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                   4
         From the CIF: _chemical_formula_weight          190.88
         TEST: Calculate formula weight from _atom_site_*
         atom    mass num    sum
         C       12.01 12.00  144.13
         H       1.01 9.00 9.07
         N       14.01 3.00 42.02
         O       16.00 1.50 24.00
         Cl    35.45 1.00 35.45
         Cd    112.41 0.50 56.21
         Calculated formula weight             310.88
PLAT043_ALERT_1_A Check Reported Molecular Weight ................    190.88
PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .    40.57 Perc.
--------------------------------------------------------------------------------
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Hg1 --  I1    ..    10.14 su

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