Table 1 Evaluation results on manually annotated feature sets of the TripleTOF 6600dataset
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 | 7163 | 77 | 0 | 152 | 0.989 | 0.979 | 0.984 | 0.969 | 0.883 |
OpenMS QT | 7303 | 64 | 0 | 25 | 0.991 | 0.997 | 0.994 | 0.988 | 0.937 |
XCMS Group | 6916 | 228 | 0 | 248 | 0.968 | 0.965 | 0.967 | 0.936 | 0.837 |
XCMS OBI-Warp | 6797 | 253 | 0 | 342 | 0.964 | 0.952 | 0.958 | 0.920 | 0.777 |
Local bipartite | 7150 | 75 | 0 | 167 | 0.990 | 0.977 | 0.983 | 0.967 | 0.918 |
G-Aligner Greedy | 7381 | 4 | 0 | 7 | 0.999 | 0.999 | 0.999 | 0.999 | 0.990 |
G-Aligner Gurobi | 7382 | 3 | 0 | 7 | 1.000 | 0.999 | 0.999 | 0.999 | 0.990 |
G-Aligner VLSNS_MSR | 7382 | 3 | 0 | 7 | 1.000 | 0.999 | 0.999 | 0.999 | 0.990 |
G-Aligner VLSNS_MSG | 7382 | 3 | 0 | 7 | 1.000 | 0.999 | 0.999 | 0.999 | 0.990 |