Features’ m/z | Naïve logistic regression | RCAL | SIMEX | ||||||
---|---|---|---|---|---|---|---|---|---|
β | OR | BH adjusted p-value | β* | β* 95% CI | OR | β* | β* 95% CI | OR | |
1020.5 | 0.32 | 1.37 | 0.032 | 0.52 | 0.16–0.87 | 1.68 | 0.44 | 0.17–0.71 | 1.55 |
1192.4 | − 0.79 | 0.45 | 0.035 | − 1.29 | − 2.20 to − 0.38 | 0.28 | − 1.56 | − 2.45 to − 0.67 | 0.21 |
1218.6 | − 0.95 | 0.39 | 0.017 | − 1.54 | − 2.46 to − 0.62 | 0.21 | − 1.90 | − 2.80 to − 0.99 | 0.15 |
1367.8 | − 0.67 | 0.51 | 0.017 | − 1.08 | − 1.69 to − 0.47 | 0.34 | − 1.01 | − 1.56 to − 0.47 | 0.36 |
1405.7 | 0.69 | 2.00 | 0.023 | 1.13 | 0.39–1.86 | 3.08 | 1.24 | 0.54–1.94 | 3.46 |
1418.6 | 0.32 | 1.38 | 0.017 | 0.52 | 0.20–0.84 | 1.68 | 0.38 | 0.14–0.62 | 1.46 |
1418.6 | 0.32 | 1.38 | 0.017 | 0.63 | 0.24–1.01 | 1.87 | 0.38 | 0.13–0.61 | 1.46 |
1440.6 | 1.03 | 2.80 | 0.028 | 1.67 | 0.54–2.80 | 5.30 | 2.24 | 1.11–3.38 | 9.44 |
1460.7 | 0.62 | 1.85 | 0.043 | 1.00 | 0.26–1.74 | 2.72 | 1.10 | 0.38–1.81 | 2.99 |
1504.9 | − 0.41 | 0.66 | 0.023 | − 0.67 | − 1.10 to − 0.23 | 0.51 | − 0.55 | − 0.92 to − 0.18 | 0.58 |
1591.1 | − 0.65 | 0.52 | 0.017 | − 1.06 | − 1.68 to − 0.44 | 0.35 | − 1.10 | − 1.66 to − 0.54 | 0.33 |
1605.9 | − 0.20 | 0.82 | 0.043 | − 0.32 | − 0.55 to − 0.08 | 0.73 | − 0.21 | − 0.37 to − 0.05 | 0.81 |
1719.0 | − 0.49 | 0.61 | 0.021 | − 0.79 | − 1.30 − 0.28 | 0.45 | − 0.69 | − 1.13 to − 0.25 | 0.50 |
1739.9 | 0.26 | 1.30 | 0.017 | 0.42 | 0.17–0.67 | 1.52 | 0.28 | 0.11–0.46 | 1.33 |
1818.9 | − 1.21 | 0.30 | 0.014 | − 1.96 | − 3.02 to − 0.89 | 0.14 | − 2.53 | − 3.58 to − 1.48 | 0.08 |
1826.7 | − 0.82 | 0.44 | 0.014 | − 1.34 | − 2.05 to − 0.63 | 0.26 | − 1.37 | − 2.04 to − 0.70 | 0.25 |
1832.1 | − 1.66 | 0.19 | 0.003 | − 2.69 | − 3.9 to − 1.47 | 0.07 | − 3.52 | − 4.79 to − 2.25 | 0.03 |
1835.0 | − 0.72 | 0.49 | 0.017 | − 1.17 | − 1.86 to − 0.46 | 0.31 | − 1.25 | − 1.92 to − 0.58 | 0.29 |
1838.9 | − 0.50 | 0.61 | 0.036 | − 0.80 | − 1.37 to − 0.23 | 0.45 | − 0.74 | − 1.25 to − 0.23 | 0.48 |
1847.0 | − 0.37 | 0.69 | 0.017 | − 0.60 | − 0.96 to − 0.24 | 0.55 | − 0.44 | − 0.71 to − 0.17 | 0.64 |
1886.0 | − 0.79 | 0.45 | 0.024 | − 1.29 | − 2.14 to − 0.44 | 0.28 | − 1.43 | − 2.27 to − 0.59 | 0.24 |
1895.9 | 0.30 | 1.35 | 0.017 | 0.48 | 0.20–0.76 | 1.62 | 0.34 | 0.14–0.54 | 1.40 |
1902.9 | − 0.98 | 0.38 | 0.028 | − 1.59 | − 2.66 to − 0.51 | 0.20 | − 2.12 | − 3.21 to − 1.04 | 0.12 |
1919.2 | − 0.73 | 0.48 | 0.023 | − 1.18 | − 1.95 to − 0.41 | 0.31 | − 1.24 | − 1.97 to − 0.51 | 0.29 |
1934.1 | − 0.32 | 0.72 | 0.017 | − 0.53 | − 0.83 to − 0.22 | 0.59 | − 0.37 | − 0.59 to − 0.15 | 0.69 |
1968.9 | − 1.03 | 0.36 | 0.017 | − 1.67 | − 2.71 to − 0.62 | 0.19 | − 2.08 | − 3.15 to − 1.02 | 0.12 |
1977.1 | − 0.96 | 0.38 | 0.017 | − 1.55 | − 2.51 to − 0.59 | 0.21 | − 1.90 | − 2.87 to − 0.93 | 0.15 |
1980.2 | − 1.01 | 0.36 | 0.017 | − 1.65 | − 2.67 to − 0.62 | 0.19 | − 2.14 | − 3.16 to − 1.11 | 0.12 |
1984.5 | − 0.64 | 0.53 | 0.017 | − 1.04 | − 1.63 to − 0.44 | 0.35 | − 0.96 | − 1.51 to − 0.41 | 0.38 |
1994.9 | − 1.53 | 0.22 | 0.012 | − 2.48 | − 3.75 to − 1.20 | 0.08 | − 3.29 | − 4.61 to − 1.97 | 0.04 |
2006.3 | − 0.26 | 0.77 | 0.017 | − 0.43 | − 0.70 to − 0.16 | 0.65 | − 0.30 | − 0.49 to − 0.10 | 0.74 |
2037.1 | − 0.82 | 0.44 | 0.032 | − 1.33 | − 2.25 to − 0.40 | 0.27 | − 1.60 | − 2.49 to − 0.71 | 0.20 |
3156.6 | 0.33 | 1.39 | 0.043 | 0.54 | 0.14–0.93 | 1.71 | 0.45 | 0.13–0.76 | 1.56 |
3272.6 | 0.52 | 1.69 | 0.029 | 0.85 | 0.27–1.43 | 2.34 | 0.82 | 0.29–1.34 | 2.27 |
3681.0 | 0.59 | 1.80 | 0.043 | 0.95 | 0.25–1.65 | 2.59 | 1.06 | 0.39–1.73 | 2.89 |