Detalle de: Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods
| Title | Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods |
| Abstract |
Different approaches for the calculation of prediction intervals of estimations obtained in multivariate curve resolution using alternating least squares optimization methods are explored and compared. These methods include Monte Carlo simulations, noise addition and jackknife resampling. Obtained results allow a preliminary investigation of noise effects and error propagation on resolved profiles and on parameters estimated from them. The effect of noise on rotational ambiguities frequently found in curve resolution methods is discussed. This preliminary study is shown for the resolution of a three‐component equilibrium system with overlapping concentration and spectral profiles. Copyright © 2004 John Wiley & Sons, Ltd. |
| Apa Reference | Jaumot, J., Gargallo, R., & Tauler, R. (2004). Noise propagation and error estimations in multivariate curve resolution alternating least squares using resampling methods. Journal of Chemometrics, 18(7–8), 327–340. Portico. 10.1002/cem.876 |
| Doi | 10.1002/cem.876 |
| Publication Date | Jul 2004 |
| Publication Type | Article |
| Researcher | Joaquim Jaumot |
| Ontology | Computational models and simulations, Multivariate statistics, Biomolecular simulation |
| Research Groups | Chemometrics for Environmental Omics (Ch4EO) |
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