Table 3 Evaluation results on manually annotated feature sets of the MTBLS562 dataset
From: G-Aligner: a graph-based feature alignment method for untargeted LC–MS-based metabolomics
TP | FP | TN | FN | P | R | F | F_ACC | A_ACC | |
|---|---|---|---|---|---|---|---|---|---|
MZmine2 RANSAC | 7822 | 25 | 0 | 433 | 0.997 | 0.948 | 0.972 | 0.945 | 0.744 |
OpenMS | 8221 | 34 | 0 | 25 | 0.996 | 0.997 | 0.996 | 0.993 | 0.841 |
XCMS Group | 6115 | 847 | 0 | 1318 | 0.878 | 0.823 | 0.850 | 0.739 | 0.145 |
XCMS OBI-Warp | 6230 | 868 | 0 | 1182 | 0.878 | 0.841 | 0.859 | 0.752 | 0.169 |
Local bipartite | 8173 | 1 | 0 | 106 | 1.000 | 0.987 | 0.993 | 0.987 | 0.937 |
G-Aligner Greedy | 8269 | 3 | 0 | 8 | 1.000 | 0.999 | 0.999 | 0.999 | 0.976 |
G-Aligner Gurobi | 8272 | 3 | 0 | 5 | 1.000 | 0.999 | 1.000 | 0.999 | 0.981 |
G-Aligner VLSNS_MSR | 8272 | 3 | 0 | 5 | 1.000 | 0.999 | 1.000 | 0.999 | 0.981 |
G-Aligner VLSNS_MSG | 8272 | 3 | 0 | 5 | 1.000 | 0.999 | 1.000 | 0.999 | 0.981 |