A METHOD, A SYSTEM AND A COMPUTER PROGRAM FOR A SIMULTANEOUS DATA PROCESSING FOR AN AUTOMATIC EXTRACTION OF RESPECTIVE PEAKS IN MULTIPLE CHROMATOGRAPHIC SPECTRA

摘要

The invention relates to a system and a computer program for data processing for simultaneous automatic extraction of respective peaks in multiple chromatographic spectra. The system 80 may comprise a processor 82, a suitable database 83 for deconvoluting a chromatographic spectrum. In order to access chromatographic spectral data the system 80 comprises an input unit 81, which may be connectable to an output of a suitable measurement system 85 arranged for generating chromatographic spectra. The system 80 according to the invention further comprises a computer program product 84 for defining data blocks in the spectra and for extracting peaks per block into the respective peaks based on a plurality of characteristic peaks using multivariate statistical analysis. The plurality of characteristic peaks is selected from the database using prior knowledge about expected constituents of the chromatographic spectrum.