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

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

  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 W4Wa 300 5 ppm 10 s S/N threshold 10
Prefilter intensity 7500
Noise filter 0
Number of coincident ROIs 251
  1. a The version 3.0 of Work4Metabolomics available at http://workflow4metabolomics.org/ has been used to do the calculations