Abstract: A programmed computer analyzes data from a mass spectrometer. A spectrum corresponding to an unknown sample is perturbed in various ways, and each perturbed spectrum is compared with the spectrum of a known or reference substance. The perturbed spectrum having the highest correlation with the known spectrum, and which is also physically plausible, is considered to be the best fit. The method indicates in what specific ways the unknown sample differs from, or is similar to, the known substance.
Type:
Grant
Filed:
March 21, 2006
Date of Patent:
June 12, 2007
Assignee:
Novatia, LLC
Inventors:
Jeffrey L. Whitney, David J. Detlefsen, Mark E. Hail
Abstract: A programmed computer analyzes data from a mass spectrometer. A spectrum corresponding to an unknown sample is perturbed in various ways, and each perturbed spectrum is compared with the spectrum of a known or reference substance. The perturbed spectrum having the highest correlation with the known spectrum, and which is also physically plausible, is considered to be the best fit. The method indicates in what specific ways the unknown sample differs from, or is similar to, the known substance.
Type:
Application
Filed:
December 6, 2006
Publication date:
April 26, 2007
Applicant:
NOVATIA, LLC
Inventors:
Jeffrey Whitney, David Detlefsen, Mark Hail
Abstract: A programmed computer analyzes data from a mass spectrometer. A spectrum corresponding to an unknown sample is perturbed in various ways, and each perturbed spectrum is compared with the spectrum of a known or reference substance. The perturbed spectrum having the highest correlation with the known spectrum, and which is also physically plausible, is considered to be the best fit. The method indicates in what specific ways the unknown sample differs from, or is similar to, the known substance.
Type:
Application
Filed:
March 21, 2006
Publication date:
October 5, 2006
Applicant:
Novatia, LLC
Inventors:
Jeffrey Whitney, David Detlefsen, Mark Hail
Abstract: A programmed computer analyzes data from a mass spectrometer. A spectrum corresponding to an unknown sample is perturbed in various ways, and each perturbed spectrum is compared with the spectrum of a known or reference substance. The perturbed spectrum having the highest correlation with the known spectrum, and which is also physically plausible, is considered to be the best fit. The method indicates in what specific ways the unknown sample differs from, or is similar to, the known substance.
Type:
Grant
Filed:
May 28, 2004
Date of Patent:
May 23, 2006
Assignee:
Novatia, LLC
Inventors:
Jeffrey L. Whitney, David J. Detlefsen, Mark E. Hail
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