کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5132265 | 1491517 | 2017 | 11 صفحه PDF | دانلود رایگان |
- The error propagation on feasible solutions was studied.
- Monte Carlo simulations were used for this purpose.
- Noise levels and profiles overlapping influence the uncertainties.
- The uncertainty of feasible solutions is produced in a non-uniform and complex way.
Evaluation of uncertainties due to rotational ambiguities and noise propagation is essential to ascertain the reliability of Multivariate Curve Resolution estimations. When ambiguity is present, every resolved profile can be represented by a band of feasible solutions instead of by a unique profile. In the presence of experimental noise the estimation of this band of feasible solutions is more difficult and uncertain. The aim of this work is to show how experimental noise and profiles overlapping affect the reliability of feasible solutions. For this purpose, feasible solutions of several two and three components data systems with different profiles overlapping and noise levels have been systematically investigated. Results obtained using simulated and experimental data showed that increasing noise levels and profiles overlapping in one mode (e.g. concentration profiles) make more uncertain the estimation of feasible solutions in the other mode (e.g. spectral profiles), and this uncertainty is propagated in a non-uniform and complex way.
Journal: Chemometrics and Intelligent Laboratory Systems - Volume 162, 15 March 2017, Pages 203-213