Method and arrangement for automatic calibrating of spectrometers
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Abstract
An arrangement as well as a method for calibrating a spectrometer for measuring spectral fractions of a substance in the context of chemometrics or chemometric processes with a spectrometric apparatus for measuring spectral fractions of the substance to be examined as well as with a calibration unit, by means of which a calibrating of the spectrometric apparatus and/or measurement data based on measured spectrometric data is performed, characterized by the following steps: a) measuring a totality of spectral fractions X and/or corresponding substance concentrations of the substance to be examined; b) storing the totality of the measured spectral fractions X in a memory module as spectrometric measurement data in the form of a multidimensional coefficient vector; c) automatic extracting, from the totality of the measured spectral fractions X, of spectral fractions Xrel physically relevant for the particular measuring procedure via an automatically running, iterative, estimation method furnished in the calibration unit; and d) calibrating the measured spectrometric measurement data for the investigated substance based on the step c) extracted, spectral fractions Xrel of the spectrometric data physically relevant for the substance to be examined.
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Citations
24 Claims
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1-12. -12. (canceled)
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13. A method for calibrating a spectrometer for measuring spectral fractions of a substance in the context of chemometrics or chemometric processes with a spectrometric apparatus for measuring spectral fractions of the substance to be examined as well as with a calibration unit, by means of which a calibrating of the spectrometric apparatus and/or measurement data based on measured spectrometric data is performed, comprising the steps of:
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a) measuring a totality of spectral fractions X and/or corresponding substance concentrations of the substance to be examined; b) storing the totality of the measured spectral fractions X in a memory module as spectrometric measurement data in the form of a multidimensional coefficient vector; c) automatic extracting, from the totality of the measured spectral fractions X, of spectral fractions Xrel physically relevant for the particular measuring procedure via an automatically running, iterative, estimation method furnished in the calibration unit; and d) calibrating the measured spectrometric measurement data for the investigated substance based on the step c) extracted, spectral fractions Xrel of the spectrometric data physically relevant for the substance to be examined. - View Dependent Claims (14, 15, 16, 17, 18)
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19. The arrangement for calibrating a spectrometer for application in chemometrics or chemometric processes in the context of measuring spectral fractions of a substance to be examined, comprising:
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a spectrometric apparatus for measuring spectral fractions X of the substance to be examined; a calibration unit for calibrating the spectrometric apparatus; a memory module for storing measured and/or evaluated, spectrometric data; and a selection module, via which, based on a mathematical iteration method, physically relevant spectral fractions Xrel of a measurement are automatically extractable, and said selection module is connected with said memory module and said spectrometric apparatus. - View Dependent Claims (20, 21, 22, 23, 24)
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Specification