Patent ID: 11415533

Abstract:
A method for automatically quantifying an analyte in a measurement sample includes providing a 1D-NMR spectrum and a 2D-NMR spectrum, providing at least one information item in relation to at least one analyte to be quantified, establishing a chemical shift of the NMR signal of the analyte to be quantified from the measured 2D-NMR spectrum using the at least one information item provided, establishing expected peak positions of the NMR signal of the analyte to be quantified, establishing measured peak positions from the measured 1D-NMR spectrum, and establishing disturbance signal peak positions using the expected peak positions and the actual peak positions. The method further includes modelling the 1D-NMR spectrum using the established disturbance signal peak positions using the established chemical shift and using the at least one information item provided, integrating the modelled 1D-NMR spectrum, and quantifying the analyte by internal or external referencing.