Reduction of the rotational ambiguity of curve resolution techniques under partial knowledge of the factors. Complementarity and coupling theorems

Multivariate curve resolution techniques allow to uncover from a series of spectra (of a chemical reaction system) the underlying spectra of the pure components and the associated concentration profiles along the time axis. Usually, a range of feasible solutions exists because of the so‐called rotat...

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Veröffentlicht in:	Journal of chemometrics 2012-10, Vol.26 (10), p.526-537
Hauptverfasser:	Sawall, Mathias, Fischer, Christian, Heller, Detlef, Neymeyr, Klaus
Format:	Artikel
Sprache:	eng
Schlagworte:	Analytical chemistry Chemical reactions chemometrics factor analysis Knowledge Multivariate analysis non-negative matrix factorization pure component decomposition spectral recovery Theorems
Online-Zugang:	Volltext
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