| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1165577 | Analytica Chimica Acta | 2013 | 7 Pages |
•Novel comprehensive determination of feasible solutions for 4-component systems.•The method works in the presence of noise.•Visualization of data structure in both concentration and spectral subspaces.
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.
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