Computational method and system for mass spectral analysis

Details Computational method and system for mass spectral analysis Computational method and system for mass spectral analysis

2004-04-28

2009-08-18

Le, John H (Department: 2863)

Data processing: measuring, calibrating, or testing

Calibration or correction system

C250S281000, C250S282000, C435S006120, C702S030000, C702S109000

Reexamination Certificate

active

07577538

ABSTRACT:
A method for analyzing data from a mass spectrometer including obtaining calibrated mass spectral data involving at least one ion with its isotopes, by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a regression analysis, preferably using matrix operations, between the calibrated mass spectral data and the calibrated library data; and reporting at least one regression coefficient representative of a relative concentrations of a component in a sample which generated the raw spectral data. The invention is also directed to a mass spectrometer system that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.

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