Thermo Electron Scientific Instruments Corporation

Michael S Bradley

Federico Izzia

John Magie Coffin

Alexander Grenov

Garry L Ritter

MCR provided estimated pure component time series spectra as extracted from infrared or other spectroscopy is capable of being 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 any one of the estimated pure component time series spectra. These resulting best matches can then also undergo the foregoing combination and comparison steps. The process can repeat in this manner in an unbounded fashion if desired 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 with far fewer computational steps and greater speed than if all possible combinations of reference spectra are considered.

Multi-component regression/multi-component analysis of time series files

A novel emission and transmission optical spectrometer is introduced herein, which is capable of optically interrogating solid or liquid samples of organic, inorganic or polymeric chemistry, for pharmaceutical research, forensic and liquid analyses, used for identification, purity check, and/or structural study of chemicals. The beneficial aspects of the system are a single sample compartment as confined within the walls of the spectrometer housing, a more compact accessory, and the capability of making both emission (e.g., Raman and Fluorescence) and Infrared (IR, NIR) transmission measurements at designed sample points.

Emission and transmission optical spectrometer

The present application is directed to a novel spectrometer configured with a built-in attenuated total reflectance (ATR) and accessory compartment. In particular, an arranged sample analysis compartment provided by the spectrometer performs attenuated total reflectance analysis of a sample and includes a crystal, a tip configured to press the sample against the crystal, and a detector configured to detect light after reflection within the crystal. As part of the configuration, an actuator moves an optical element between a first position wherein the optical element receives modulated light and reflects the modulated light toward the crystal and a second position wherein the optical element does not receive the modulated light so as to instead allow an additionally configured optical component to receive the modulated light.

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Edgerton, WI, United States of America

Michael S Bradley