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1. WO2013059310 - MULTI -COMPONENT REGRESSION/MULTI - COMPONENT ANALYSIS OF TIME AND/OR SPACE SERIES FILES

Publication Number WO/2013/059310
Publication Date 25.04.2013
International Application No. PCT/US2012/060603
International Filing Date 17.10.2012
IPC
G01N 21/35 2006.1
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
35using infra-red light
G01J 3/28 2006.1
GPHYSICS
01MEASURING; TESTING
JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRA-RED, VISIBLE OR ULTRA-VIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
3Spectrometry; Spectrophotometry; Monochromators; Measuring colours
28Investigating the spectrum
CPC
G01J 3/2803
GPHYSICS
01MEASURING; TESTING
JMEASUREMENT OF INTENSITY, VELOCITY, SPECTRAL CONTENT, POLARISATION, PHASE OR PULSE CHARACTERISTICS OF INFRA-RED, VISIBLE OR ULTRA-VIOLET LIGHT; COLORIMETRY; RADIATION PYROMETRY
3Spectrometry; Spectrophotometry; Monochromators; Measuring colours
28Investigating the spectrum
2803using photoelectric array detector
G01N 21/272
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
27using photo-electric detection
272for following a reaction, e.g. for determining photometrically a reaction rate (photometric cinetic analysis)
G01N 21/35
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
35using infra-red light
G01N 21/3504
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
35using infra-red light
3504for analysing gases, e.g. multi-gas analysis
G01N 21/3563
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
35using infra-red light
3563for analysing solids; Preparation of samples therefor
G01N 21/3577
GPHYSICS
01MEASURING; TESTING
NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
21Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
17Systems in which incident light is modified in accordance with the properties of the material investigated
25Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
31Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
35using infra-red light
3577for analysing liquids, e.g. polluted water
Applicants
  • THERMO ELECTRON SCIENTIFIC INSTRUMENTS LLC [US]/[US]
Inventors
  • BRADLEY, Michael, S.
  • RITTER, Garry, L.
  • IZZIA, Federico
  • GRENOV, Alexander, I.
  • LARSON, Kathleen A.
Agents
  • STAGGS, Michael, C.
Priority Data
61/548,01417.10.2011US
Publication Language English (en)
Filing Language English (EN)
Designated States
Title
(EN) MULTI -COMPONENT REGRESSION/MULTI - COMPONENT ANALYSIS OF TIME AND/OR SPACE SERIES FILES
(FR) RÉGRESSION MULTI-COMPOSANT/ANALYSE MULTI-COMPOSANT DE FICHIERS DE SÉRIES TEMPORELLES ET/OU SPATIALES
Abstract
(EN) MCR (Multi-component regression) estimates pure component time- and/or spatial series spectra as extracted from infrared or other spectroscopy, which are 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/space 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.
(FR) La régression multi-composant (MCR) permet d'estimer des spectres de séries temporelles et/ou spatiales à composants purs tels qu'extraits d'une spectroscopie infrarouge ou d'une autre spectroscopie, qui peuvent être comparés à des spectres de bibliothèque de référence afin de trouver les meilleures correspondances. Les spectres qui correspondent le mieux peuvent ensuite, chacun à leur tour, être combinés avec les spectres de référence, les combinaisons étant également analysées pour obtenir les meilleures correspondances par rapport à l'un quelconque des spectres de séries temporelles et/ou spatiales à composants purs estimé. Les meilleures correspondances résultantes peuvent également subir les étapes de combinaison et de comparaison précitées. Le procédé peut se répéter de cette manière sans limite si on le souhaite jusqu'à ce qu'un point d'arrêt approprié soit atteint, par exemple, lorsqu'un nombre désiré de meilleures correspondances est identifié, lorsqu'un certain nombre prédéterminé d'itérations a été effectué, etc. Cette méthodologie permet d'obtenir les spectres qui correspondent le mieux avec des étapes de calcul moins nombreuses et une vitesse plus élevée que si toutes les combinaisons possibles de spectres de référence étaient prises en compte.
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