Methods for characterizing, classifying, and identifying unknowns in samples
AssigneesBattelle Memorial Institute, Eigenvector Research, Inc.
InventorsJay W. Grate, Barry M. Wise
Life of this patent
Estimating the term…
Abstract
Disclosed is a method for taking the data generated from an array of responses from a multichannel instrument, and determining the characteristics of a chemical in the sample without the necessity of calibrating or training the instrument with known samples containing the same chemical. The characteristics determined by the method are then used to classify and identify the chemical in the sample. The method can also be used to quantify the concentration of the chemical in the sample.
Claims63
A method of characterizing an unknown sample comprising:
- obtaining a plurality of responses from a multi channel instrument,
- modeling each of said plurality of responses as a function of a plurality of descriptors, and
- determining said plurality of descriptors from said plurality of responses,
- wherein said plurality of responses is equal to or greater than said plurality of descriptors and,
- wherein said sample is modeled with said plurality of descriptors.
A method for characterizing an unknown sample comprising:
- determining a plurality of descriptors used to model the sample by modeling a plurality of responses obtained from a multichannel instrument as a function of each of the plurality of descriptors wherein the number of responses is greater than the number of descriptors.
The method for characterizing un unknown sample comprising:
- determining a plurality of descriptors used to model the sample from a plurality of responses obtained from a multichannel installment wherein the number of responses is at least equal to the number of descriptors and wherein the plurality of responses are mathematically modeled with coefficients for each descriptor.
A method for characterizing an unknown sample comprising:
- defining a matrix P containing coefficients for a plurality of descriptors used to model the sample;
- and
- determining said plurality of descriptors from said matrix P and a plurality of responses obtained from a multichannel instrument wherein the number of responses is at least equal to the number of descriptors and wherein the plurality of responses are a function of the coefficients.
Dependencies are inferred from the claim text.