Method and arrangement for automatic calibrating of spectrometers
First Claim
1. 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:
- 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 evaluated, spectrometric data; and
a selection module, via which, based on a mathematical iteration method, physically relevant spectral fractions Xref of a measurement are automatically extractable, and said selection module is connected with said memory module and said spectrometric apparatus;
said arrangement is adapted to store the totality of the measured spectral fractions X in said memory module as spectrometric measurement data in the form of a multidimensional coefficient vector; and
said mathematical iterative estimation method comprises an iterative estimation method according to Bayes, via which coefficient values of the multidimensional coefficient vector tending toward zero during the iteration are removed before a regression analysis.
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Abstract
An arrangement and method for calibrating a spectrometer with a spectrometric apparatus for measuring spectral fractions of the substance to be examined as well as with a calibration unit. The calibrating of the spectrometric apparatus and/or measurement data based on measured spectrometric data is performed, by the following steps: a) measuring a totality of spectral fractions of the substance to be examined; b) storing the totality of the measured spectral fractions in a memory module in the form of a multidimensional coefficient vector; c) automatic extracting, from the totality of the measured spectral fractions 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 of the spectrometric data physically relevant for the substance to be examined.
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Citations
13 Claims
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1. 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 evaluated, spectrometric data; and a selection module, via which, based on a mathematical iteration method, physically relevant spectral fractions Xref of a measurement are automatically extractable, and said selection module is connected with said memory module and said spectrometric apparatus; said arrangement is adapted to store the totality of the measured spectral fractions X in said memory module as spectrometric measurement data in the form of a multidimensional coefficient vector; and said mathematical iterative estimation method comprises an iterative estimation method according to Bayes, via which coefficient values of the multidimensional coefficient vector tending toward zero during the iteration are removed before a regression analysis. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9)
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10. An arrangement for calibrating a spectrometer comprising:
- a spectrometric apparatus for measuring spectral fractions X of a substance to be examined, said spectrometric apparatus being adapted to measure a totality of spectral fractions X of said substance;
a calibration unit for calibrating the spectrometric apparatus; a memory module for storing measured and evaluated spectrometric data; and a selection module provided in said calibration unit, said selection module being embodied to automatically extract physically relevant spectral fractions Xref from said totality of spectral fractions X measured by said spectrometric apparatus using a mathematical iterative estimation method and to store said physically relevant spectral fractions Xref in said memory module for calibrating the spectrometer arrangement; said arrangement is adapted to store the totality of the measured spectral fractions X in said memory module as spectrometric measurement data in the form of a multidimensional coefficient vector; and said mathematical iterative estimation method comprises an iterative estimation method according to Bayes, via which coefficient values of the multidimensional coefficient vector tending toward zero during the iteration are removed before a regression analysis. - View Dependent Claims (11, 12, 13)
- a spectrometric apparatus for measuring spectral fractions X of a substance to be examined, said spectrometric apparatus being adapted to measure a totality of spectral fractions X of said substance;
Specification