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Table 1 Number of ROIs and computation time resulting from ROI searches performed with three different values of the input parameters (signal threshold in absolute units, a.u., mass error tolerance in Da/e, and minimum number of occurrences). In cursive are indicated the optimum values of the parameters. The results shown are obtained considering the variation of one parameter while the other two remain fixed in their optimum value

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

Parameters of the ROI search Number of ROI Computational timea (s)
Signal threshold (a.u.) 7500 55 0.8
750 300 1.8
75 1357 8.8
Mass error tolerance (Da/e) 0.5 267 1.8
0.05 300 2.0
0.005 356 2.0
Minimum occurrences 100 23 1.7
10 300 1.9
1 449 1.9
  1. a Computational time using a 64-bit Windows Intel(R) Core™ i5–3470 CPU computer of 8GB and version 8.2.0 (R2013b) of MATLAB