title: Determination and visualization of rotational ambiguity in four-component systems.
abstract: One of the main problems that limit the use of model-free analysis methods for the resolution of multivariate data is that usually there is rotational ambiguity in the result. While methods for the complete definition of rotational ambiguity for two- and three-component systems have been published recently, the comprehensive and general resolution of rotational ambiguity for four-component systems has eluded chemists for several decades. We have developed an extension of self-modelling curve resolution for a mixture of four-components. The performance of the method was verified by applying it to resolve simulated and real data sets.
authors.affiliation: Faculty of Chemistry, Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Zanjan, Iran; Department of Chemistry, University of Newcastle, Callaghan, New South Wales 2308, Australia. Electronic address: golshan_azadeh@yahoo.com.
authors.forename: Azadeh
authors.initials: A
authors.lastname: Golshan
authors.forename: Marcel
authors.initials: M
authors.lastname: Maeder
authors.forename: Hamid
authors.initials: H
authors.lastname: Abdollahi
keywords: Band boundaries of feasible solutions; Rotational ambiguity; Soft modelling; Unique and band solutions