Table 1.
Parameter | 12 synthetic data sets | Proteomics data | Metabolomics data | ||
---|---|---|---|---|---|
Data set P1 | Data set P2 | Data set M1 | Data set M2 | ||
m/z tolerance | 0.05 m/z | 1.5 m/z | 1.5 m/z | 0.03 m/z | 0.025 m/z |
RT tolerance after correction | 0:25 | 02:30 | 2:30 | 00:50 | 00:30 |
RT tolerance | 0:50 | 03:30 | 05:00 | 00:30 | 00:30 |
RANSAC iterations | 5000 | 50000 | 50000 | 15000 | 15000 |
Minimum number of points | 20% | 2.00% | 0.10% | 20.00% | 20.00% |
Threshold value | 4 seconds | 4 seconds | 15 seconds | 4 seconds | 4 seconds |
Non-linear model | yes | yes | no | yes | yes |