NIR Spectroscopy Calibration Transfer via Channel Coefficient Matrix
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Solution Overview
Problem
Existing methods for chemometric calibration transfer between different near-infrared spectroscopy instruments face challenges due to design-related deviations and aging, leading to loss of spectral information and mixing of wavelength information, complicating the transfer of calibration models.
Innovation Solution
A method involving acquiring measurement data from multiple channels, determining coefficients for the share of each channel in the total response at selected wavelengths, and creating a coefficient matrix for unmixing the channels' contributions, allowing for improved calibration transfer and increased measurement resolution without relying on specific calibration standards or resonance wavelengths.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If chemometric calibration is transferred between different measuring instruments using conventional methods, then calibration transfer is achieved, but spectral information is lost and wavelength information is mixed
Solution Approach 1:
The patent segments the spectral information by channel, determining for each channel separately which wavelengths it contributes to and what share it has in the total response at those wavelengths. This segmentation prevents mixing of wavelength information between channels and preserves the spectral information by maintaining channel-specific contributions throughout the calibration transfer process.
2Adaptability or versatility
If conventional calibration transfer methods are used between instruments, then calibration models can be transferred, but design-related deviations and aging cause accuracy loss
Solution Approach 1:
The patent applies local quality by determining channel-specific contribution shares for each wavelength independently, rather than applying a uniform transfer approach across the entire spectrum. This allows the method to adapt to local variations in instrument behavior caused by design deviations and aging, maintaining prediction accuracy by treating each wavelength-channel combination with its specific contribution characteristics.
3Area of stationary object
If multiple channels are used for measurement, then measurement coverage is improved, but channel contributions mix and complicate data interpretation
Solution Approach 1:
The patent extracts the individual channel contributions from the mixed multi-channel data by determining for each channel its specific share in the total response at each wavelength. This extraction process separates the mixed channel contributions, making the data interpretation simpler while preserving the benefits of multi-channel spectral coverage.
Data Source
AI summary
The invention relates to a method for analyzing a sample based on data generated by a measuring instrument divided into N channels. The method the following method steps: i. acquiring measurement data y(x) with at least one set of the N channels of the measuring instrument in a range of x overlapping between the selected channels; ii. selecting a value xj from the overlapping range of x; iii. determining coefficients quantifying the respective share of the selected channels in the total response ytot(xj) recorded at xj; and iv. repeating steps ii. and iii. for M values (I).