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 | |