Table 4 Utilized conditions for “simple” and “complex” tests
Test | Input conditionsa | Executions | Mean individual run timeb (s) | |
|---|---|---|---|---|
msConvert | Simple | Conversion centroided input | 15 | 4.8 |
Complex | Centroiding and conversion non-centroided input | 15 | 8.5 | |
FeatureFinderMetaboc | Simple | High intensity threshold | 15 | 4.1 |
Complex | Low intensity threshold | 15 | 38 | |
GenForm | Simple | CHNO elements, low m/z | 512 | 0.2 |
Complex | CHNOPS elements, high m/z | 128 | 1.7 | |
SIRIUSc | Simple | CHNO elements, low m/z | 152 (512d) | 2.3 |
Complex | CHNOPS elements, high m/z | 44 (128d) | 7.7 | |
MetFragc | Simple | Limited scoring, narrow mass search (5 ppm), low m/z | 152 | 3.0 |
Complex | Thorough scoring, wide mass search (20 ppm), high m/z | 44 | 8.6 |