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. 2020 May 14;5(20):11730–11736. doi: 10.1021/acsomega.0c01055

Table 5. Repeatability and Reproducibility of FT-ICR MS Intensity-Weighted Average (wa) Molecular Parameters of SRFAa.

  repeatability
reproducibility
  average value SD (%) RSD (%) average value SD (%) RSD (%)
no. 3334 93.39 2.8 3189 285.51 8.95
m/zwa 415.68 3.85 0.92 414.48 10.13 2.44
Cwa 18.83 0.256 1.36 18.80 0.54 2.87
Hwa 18.13 0.45 2.49 17.90 0.82 4.60
Owa 10.62 0.04 0.33 10.59 0.24 2.22
Nwa 0.05 0.001 2.73 0.06 0.004 6.35
Swa 0.02 0.007 28.88 0.02 0.01 38.68
O/Cwa 0.57 0.01 1.04 0.57 0.01 1.82
H/Cwa 1.02 0.01 1.02 1.01 0.02 2.35
DBEwa 10.3 0.03 0.32 10.38 0.29 2.79
AImod,wa 0.37 0.01 1.54 0.37 0.01 3.64
a

No.: number of assigned formulae; O/C: oxygen to carbon ratio; H/C: hydrogen to carbon ratio; DBE: double bond equivalents; AImod: modified aromaticity index.