研究目的
To develop a Sparse NIR Optimization method (SNIRO) for selecting a pre-determined number of wavelengths that enable quantification of analytes in a given sample using linear regression, and to compare its performance with existing methods.
研究成果
SNIRO demonstrated effectiveness in selecting a limited number of wavelengths for analyte quantification, surpassing the accuracy of some existing methods. It offers a promising approach for developing field-operable spectral scanning devices, though computational resources and sample size are important considerations.
研究不足
The study acknowledges the computational intensity of SNIRO and the potential for over-fitting with small sample sizes. The quality of scanning devices and methods may also affect results.
1:Experimental Design and Method Selection:
The study developed SNIRO, a method for selecting significant wavelengths from VIS/NIR spectra for analyte quantification.
2:Sample Selection and Data Sources:
Publicly available datasets for protein content in corn flour and meat, octane number in diesel, and a newly produced dataset for glucose content in Ulva sp. were used.
3:List of Experimental Equipment and Materials:
Fieldspec Analytical Spectral Devices (ASD) Full-Range (FR) spectrometer, Dionex ICS-5000 for glucose measurement.
4:Experimental Procedures and Operational Workflow:
The SNIRO method involves dividing data into training and test sets, computing Spearman p-values, performing a disjointification process, and conducting an exhaustive search for the best subset of wavelengths.
5:Data Analysis Methods:
The performance of SNIRO was compared to Marten’s test, forward selection test, and LASSO using TRE and Spearman correlation metrics.
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