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 |
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.