Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution

By Romà Tauler. 2001

296 citations recorded by the source corpus.

Subfields: Analytical Chemistry, Statistics and Probability

View Paper: https://www.semanticscholar.org/paper/5849832efbd4be7223bd8388927b9ee64cdfe270

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In Analytical Chemistry

In Statistics and Probability

Citations in the corpus

A fast polygon inflation algorithm to compute the area of feasible solutions for three‐component systems. I: concepts and applications (2013, background): “See Abdollahi et al. [19], Gemperline [20], Golshan et al. [4], Lawton and Sylvestre [1], and Tauler [6] for the AFS for two-component and three-component systems.”
Multiset Data Analysis: Extended Multivariate Curve Resolution (2020, background): “This is a very strong constraint that enforces trilinear decompositions to give unique solutions for the three-factor matrices (apart from scale and trivial permutation rotation ambiguities(4)), and avoids the presence of rotational ambiguities associated with lower structured bilinear models.(24,25”
On rotational ambiguity in model‐free analyses of multivariate data (2006, methodology): “The marker x represents the true solution and the markers o represent the boundaries for the feasible solutions as determined in [30].”
Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods (2004, methodology): “The range of possible solutions of C and S was evaluated using the procedure previously described [9] and is shown in Figure 1.”
Methods for estimating uncertainty in factor analytic solutions (2013, methodology): “Tauler and co-workers have continued to develop the method originated by Gemperline (Tauler, 2001; Abdollahi et al., 2009; Jaumot and Tauler, 2010).”
Natural duality in minimal constrained self modeling curve resolution (2006, background): “However, these decompositions are ambiguous [6–18] in the sense of least squares (of course, the solution of either PCA or SVD is unique because of the used restrictions of orthogonality, normalization, sign (e.”
MCR-ALS GUI 2.0: New features and applications (2015, methodology): “Further information about the MCR-Bands method and about its use can be found at previous works [22, 23].”