Simulation Studies on Modeling Process NMR Data by Using Chemometrics Approach
- 1 January 2000
- journal article
- research article
- Published by SAGE Publications in Applied Spectroscopy
- Vol. 54 (1) , 54-61
- https://doi.org/10.1366/0003702001948114
Abstract
A simulation study was conducted to evaluate the feasibility of using chemometrics methods to analyze process nuclear magnetic resonance (NMR) data. Using the computer-generated NMR data, training sets and validation sets were constructed to represent several real-world application scenarios. The experimental factors (the spectral noise, the reference measurement error, and the nonlinearity) that affect the performance of a partial least-square (PLS) model were systematically investigated.Keywords
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