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[求助]
A，B错误
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Alert level A ABSMU01_ALERT_1_A The ratio of given/expected absorption coefficient lies outside the range 0.90 <> 1.10 Calculated value of mu = 5.765 Value of mu given = 5.092 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 29 From the CIF: _chemical_formula_weight 554.38 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 3.59 43.07 H 1.01 2.34 2.36 N 14.01 0.69 9.66 O 16.00 0.83 13.24 Co 58.93 0.14 8.13 Calculated formula weight 76.47 DENSD01_ALERT_1_A The ratio of the submitted crystal density and that calculated from the formula is outside the range 0.90 <> 1.10 Crystal density given = 2.116 Calculated crystal density = 11.504 PLAT043_ALERT_1_A Check Reported Molecular Weight ................ 554.38 PLAT046_ALERT_1_A Reported Z, MW and D(calc) are Inconsistent .... 11.505 PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 84.39 Perc. Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 8.1 Ratio PLAT353_ALERT_3_B Long N-H Bond (0.87A) N4 - H4N ... 1.10 Ang. 高手帮我看看这些错误是什么意思？我看不懂呀 |
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