Automated curve resolution applied to data from multi-detection instruments

This work presents a method for automated resolution of multicomponent data . The proposed procedures corrects background, cuts the data into smaller s ub matrices, and resolves complex overlapping systems without human interve ntion. Basic constraints on concentration and spectral profiles are defined and used for determining the number of components and for cutting complex peak clusters into smaller sub matrices. The procedures are applied to mult icomponent data from high performance liquid chromatography with diode arra y detection (HPLC-DAD), flow injection analysis with diode array detection (FIA-DAD), and gas chromatography-mass spectrometry (GC-MS). (C) 2001 Elsev ier Science B.V. All rights reserved.