ROIMCR: a powerful analysis strategy for LC-MS metabolomic datasets

BMC Bioinformatics

Table 2 Comparison of ROI search results obtained using our MATLAB routines and the centWave algorithm of XCMS package of Work4Metabolomics

	Number of ROIs	m/z error tolerance	Peak width	Threshold
ROI search using MATLAB home-made routines	481	0.05 Da/e	10 s	750 a.u.
ROI search using centWave algorithm of XCMS of W4W^a	300	5 ppm	10 s	S/N threshold	10
				Prefilter intensity	7500
				Noise filter	0
Number of coincident ROIs	251

^a The version 3.0 of Work4Metabolomics available at http://workflow4metabolomics.org/ has been used to do the calculations

ISSN: 1471-2105