From: MetFrag relaunched: incorporating strategies beyond in silico fragmentation
Dataset | MetFrag2.2 | ||
---|---|---|---|
UFZ (n = 225) | EQex (n = 289) | EQexPlus (n = 310) | |
\(\omega _{{\mathrm{Frag}}}\) (\(S_{C_{{\mathrm{Frag}}}}\)) | 0.40 | 0.38 | 0.61 |
\(\omega _{{\mathrm{RT}}}\) (\(S_{C_{{\mathrm{RT}}}}\)) | 0.23 | 0.27 | 0.11 |
\(\omega _{{\mathrm{Refs}}}\) (\(S_{C_{{\mathrm{Refs}}}}\)) | 0.37 | 0.35 | 0.28 |
Median rank | 1 | 1 | 1 |
Mean rank | 58.0 | 14.6 | 46.2 |
Mean RRP | 0.972 | 0.981 | 0.976 |
Top 1 ranks | 165 (73 %) | 236 (82 %) | 196 (63 %) |
Top 5 ranks | 188 | 261 | 233 |
Top 10 ranks | 191 | 268 | 247 |