Table 1 Algorithm input variables
Variable | Formal Definition | Default |
|---|---|---|
Sntic | SN threshold when detecting peaks in S TIC. Low values are used in order to include weak signals. | 1 |
Sneic | SN threshold when detecting peaks in EIC chromatograms for S and R. Values higher than the SNtic are used to reduce the risk of matching noisy EIC peaks. | 5 |
PWidth | Peak width threshold for every peak detection, in units of scans. | 12 |
PClose | EIC-to-TIC peak apex distance threshold, in units of scans. | 2 |
SDist | Search distance when finding candidate peaks in R, in units of scan number measuring from the apex of an S peak. | 15 |
CorMass | Correlation coefficient threshold between two peaks. | 0.95 |
Prof | Profile threshold for peak deviations. | 0.5 |
LpBound | Lone peak boundary, in units of scan number. | 5 |