Quantification of target analyte based on multi-layer multi-variant spectra analysis for spectroscopic analyzers

An apparatus comprising:

• a spectroscopic analyzer adapted to scan a sample range of wavelengths;
• and computer hardware including a programmable processor and memory storage, wherein the computer hardware is configured to perform operations comprising:
• collecting a set of calibration spectra for a predefined set of calibration gas samples, respectively, using the spectroscopic analyzer by scanning the sample range of wavelengths, wherein the gas samples include a target analyte and selected background components;
• calculating a first concentration of the target analyte and first concentrations of the selected background components for each calibration spectrum using at least one multivariate analysis algorithm;
• modeling the ideal concentration of the target analyte as a function of the first concentrations of the target analyte and the selected background components using a correlative model;
• collecting a field spectrum for a field gas sample using the spectroscopic analyzer by scanning the sample range, wherein the field gas sample includes the target analyte and at least some of the selected background components;
• calculating a second concentration of the target analyte and second concentrations of the selected background components for the field spectrum using the at least one multivariate analysis algorithm;
• correcting the second concentration of the target analyte using the correlative model and the second concentrations of the background components;
• and
• determining a corrected target analyte concentration in the field gas sample based on the corrected second concentration of the target analyte.

A computer program product comprising a non-transitory machine-readable storage medium encoding instructions that, when executed by at least one programmable processor, cause the at least one programmable processor to perform operations comprising:

• collecting a set of calibration spectra for a predefined set of calibration gas samples, respectively, using a spectroscopic analyzer by scanning a sample range of wavelengths, wherein the gas samples include a target analyte and selected background components;
• calculating a first concentration of the target analyte and first concentrations of the selected background components for each calibration spectrum using at least one multivariate analysis algorithm;
• modeling the ideal concentration of the target analyte as a function of the first concentrations of the target analyte and the selected background components using a correlative model;
• collecting a field spectrum for a field gas sample using the spectroscopic analyzer by scanning the sample range, wherein the field gas sample includes the target analyte and at least some of the selected background components;
• calculating a second concentration of the target analyte and second concentrations of the selected background components for the field spectrum using the at least one multivariate analysis algorithm;
• correcting the second concentration of the target analyte using the correlative model and the second concentrations of the background components;
• and
• determining a corrected target analyte concentration in the field gas sample based on the corrected second concentration of the target analyte.