Automated projection spectroscopy (APSY)

Details Automated projection spectroscopy (APSY) Automated projection spectroscopy (APSY)

2007-12-11

2007-12-11

Barlow, John (Department: 2863)

Data processing: measuring, calibrating, or testing

Measurement system in a specific environment

Chemical analysis

C324S307000, C324S309000, C703S002000

Reexamination Certificate

active

11439161

ABSTRACT:
A method of projection spectroscopy for N-dimensional NMR experiments with the following steps. Data recording through; a) selection of N-dimensional NMR experiments out of a group of N-dimensional experiments, selection of the dimensionalities (Di) of the projections and unconstrained selection of j sets of projection angles, with j≧2; b) recording of discrete sets of j projections from the N-dimensional NMR experiments at the selected projection angles; c) peak picking and creating a peak list for each of the j projection spectra is characterized by d) automated identification of peaks in the projection spectra that arise from the same resonance in the N-dimensional spectrum (N≧3) using vector algebra to exploit geometrical properties of projections in the N-dimensional space, and computation of a N-dimensional peak list using vector algebra to exploit geometrical properties of projections in the N-dimensional space. A reliable method of automated projection spectroscopy without restrictions on projection angles and dimensionality is thereby realized.

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