Schematic representation of the computational workflow. Schematic representation of the computational workflow used for the comparison. Baseline correction, normalisation and peak detection are implemented in the MASDA R-package. Both objectives used for the comparison are estimated for each dataset d, normalisation method n and configuration c of baseline correction and peak detection parameters. For each tuple (d, n, c), this results in a score (n, c) for variance and (n, c), (n, c), and (n, c) for classification performance.