Peak Scoring

In a first step, our algorithm will merge similar peaks for a faster calculation. The parameters for merging and scoring peaks will be set in this step. You can edit the merged peaks later at the last wizard step.

Intensity calculation

Specify the calculation of the intensity of the peaks in the merged spectrum

Merge distance

Sets the maximum merge distance, since it is necessary to merge the peaks into one spectrum before the main analysis can take place. This step is done by merging peaks from different spectra whose mass difference is smaller than the merge distance (threshold). The intensity of the merged peak is the highest intensity of the original peak and the mass is the intensity-weighted mean of the original masses. If peaks are merged it is stored in which spectra this peak occurred. Thus after merging, every peak has a range of collision energies (of the corresponding spectra) assigned.

Mass deviation

Sets the maximum mass deviation between the mass of the calculated decomposition and the measured peak in ppm of the peak mass.

Select search algorithm

Here you can choose which algorithm will be used for the analysis.