Table 2.

Parameter optimisation using the MM14 marker mixture

Algorithm	Number of detected MM14 features	Number of other reported features	Parameters
centWave	115	443	peakwidth = (5,10), ppm = 30, snthresh = 5, prefilter = (2,400)
matchedFilter	114	425	fwhm = 4, snthresh = 12, step = 0.02, mzdiff = 0, max = 50
MZmine	107	442	bin size = 0.05, chromatographic threshold level = 0.8, intensity tolerance = 0.7, minimum peak duration = 3, minimum peak height = 500, m/z tolerance = 0.03, noise level = 20

Number of features detected in the MM14 marker mixture and the parameter values that were chosen after the parameter optimisation step.