ANALYSIS OF NUCLEAR MAGNETIC RESONANCE SPECTRA WITH NON-STATIONARY PEAKS

摘要

A method of determining a NMR prediction result of a sample is provided. The method can include receiving a NMR spectrum of the sample and/or identifying a section of a ppm range in the NMR spectrum having a non-stationary peak. The method can include determining a modified data point for the NMR spectrum based on data points in the identified section. The modified data point can be determined such that the modified data point is a weighted average value of the data points in the identified section in the NMR spectrum. The method can include replacing the identified section in the NMR spectrum with the modified data point for the NMR spectrum to determine a modified NMR spectrum. The method can include determining the NMR prediction result of the sample based on the modified NMR spectrum and a calibration vector (e.g., using a partial least square (PLS) analysis).