Thermo Electron Scientific Instruments Corporation

William Joseph McCarthy

Francis Jerome Deck

Alexander Grenov

Federico Izzia

George Douglas Jones

James Ronald Hyatt

Gabor John Kemeny

Kathleen A Larson

John R O'Keefe

Steven Ralph Lowry

Louie Delaware

Gary L Ritter

Todd R Clermont

An unknown spectrum obtained from infrared or other spectroscopy can be compared to spectra in a reference library to find the best matches. The best match spectra can then each in turn be combined with the reference spectra, with the combinations also being screened for best matches versus the unknown spectrum. These resulting best matches can then also undergo the foregoing combination and comparison steps. The process can repeat in this manner until an appropriate stopping point is reached, for example, when a desired number of best matches are identified, when some predetermined number of iterations has been performed, etc. This methodology is able to return best-match spectra (and combinations of spectra) with far fewer computational steps and greater speed than if all possible combinations of reference spectra are considered.

Efficient spectral matching, particularly for multicomponent spectra

A multifunctional infrared spectrometer system has an interferometer which receives the infrared beam from a source and provides a modulated output beam on beam paths to multiple spatially separated infrared detectors. A multi-position mirror element mounted at a junction position receives the beam on a main beam path and directs it on branch beam paths to sample positions, with the beam then being directed on the branch beam path to one of the detectors. One of the branch beam paths may include a sample holder at the sample position which can index between a position at which a sample is analyzed, to a reference material position, to a pass-through position for calibration purposes. The multi-position mirror element may also be indexed to direct the beam on a branch path to a fiber optic cable which has a probe at the end of it which may be inserted in a sample fluid or powder to be analyzed, with the reflected light from the probe being directed back on an optical fiber cable to a detector at the spectrometer. The multi-position mirror element may be moved to a position at which the beam is directed on a beam path to and through an integrating sphere to a solid sample, with the reflected light from the sample being directed by the surfaces of the integrating sphere to a detector. A detector may be mounted to detect the light transmitted through the sample to obtain measurements of both reflected and transmitted infrared light at the sample.

Multifunctional fourier transform infrared spectrometer system

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Middleton, WI, United States of America

William Joseph McCarthy