Calibration transfer between different spectrometers by wavelength correspondence

Erik Tengstrand, Lars Erik Solberg, Katinka Dankel, Tiril Lintvedt, Nils Kristian Afseth,Jens Petter Wold

Vibrational Spectroscopy(2024)

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摘要
In this paper we present a method for transferring calibrations between different spectrometers based on assigning wavelength correspondence. It has been tested for near-infrared (NIR) and Raman spectroscopic instruments, and three examples are included in the paper. The calibration transfer is done in three steps: first wavelength correspondence is established. Second, PLS models are built and tuned for the new spectrometer. Third, the PLS models are slope and bias corrected. The advantages with this approach are that it does not require transfer samples and that there is only one parameter to tune: the number of PLS components. While a few samples with reference values are required for the tuning, it is fewer than methods with multiple parameters that need to be tuned.
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关键词
Calibration transfer,Spectroscopy,NIR,Raman,Chemometrics
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