Table 3 Peak width parameter settings and resulting peak width statistics of the training sets
From: IPO: a tool for automated optimization of XCMS parameters
| Â | Metabolite fingerprinting | Lipidomics | Central carbon metabolism | |||
|---|---|---|---|---|---|---|
| Â | Default | Optimized | Default | Optimized | Default | Optimized |
‘peakwidth’ parameter [sec] | 20-50 | 32.2-95 | 20-50 | 29.6-80 | 20-50 | 10-35 |
mean peak width [sec] | 44.2 | 57.9 | 44.6 | 58.4 | 27.3 | 15.6 |
median peak width [sec] | 40.6 | 52.2 | 41.8 | 54.5 | 24.4 | 12.6 |
modal peak width [sec] | 38.9 | 51.3 | 41.4 | 56.8 | 10.3 | 5.8 |