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.

Tautenhahn et al. BMC Bioinformatics 2008 9:504   doi:10.1186/1471-2105-9-504

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