• Improved purity assessment of high-performance liquid chromatography diode array detection data for overcoming the presence of the non-linearity artefact
    K. De Braekeleer, J.R. Torres-Lapasío and D.L. Massart
    accepted for publication in Chemometrics and Intelligent Laboratory Systems

    Abstract :

    Orthogonal Projection (OPA) and Needle Search (NS) have been applied to assess the purity of peaks in a spectrochromatogram recorded with a high-performance liquid chromatograph coupled with a diode array detector. The introduction of an anomalous number of compounds in the peak purity assays points out to the existance of an non-linearity artefact in the DAD data set, which leaves unexplained contributions greater than the contributions associated to the known impurities. Decision criteria and certain modifications were introduced in OPA and NS in order to distinguish the artefact peaks from the peaks corresponding to minor components.