Table 2 Results for the 87 MS/MS test spectra from the CASMI 2016 Challenge taken from Table 7 in [12] augmented with the results of the proposed approach (MetFrag 2.4.5). For the participants of the challenge the best result is given
From: Improving MetFrag with statistical learning of fragment annotations
MetFrag 2.4.5 | MetFrag 2.3 | CFM-ID | CSI:IOKR | CSI:FID | MS-Finder | MAGMa | |
|---|---|---|---|---|---|---|---|
Top 1 Pos. | 9 | 1 | 9 | 10 | 13 | 3 | 2 |
Top 1 Neg. | 12 | 4 | 6 | 6 | −∗ | 7 | 4 |
Top 1 | 21 | 5 | 15 | 16 | 13 ∗ | 10 | 6 |
Top 3 | 38 | 16 | 24 | 26 | 23 ∗ | 25 | 16 |
Top 10 | 55 | 39 | 40 | 46 | 32 ∗ | 38 | 35 |
Mean rank | 34.6 | 68.4 | 64.1 | 97.9 | 41.5 ∗ | 28.7 | 76.8 |
Med. rank | 5 | 14.5 | 12.5 | 10 | 3 ∗ | 17.5 | 23.5 |