Determination of carbon fraction and nitrogen concentration in tree foliage by near infrared reflectances: a comparison of statistical methods

1996 ◽  
Vol 26 (4) ◽  
pp. 590-600 ◽  
Author(s):  
Katherine L. Bolster ◽  
Mary E. Martin ◽  
John D. Aber

Further evaluation of near infrared reflectance spectroscopy as a method for the determination of nitrogen, lignin, and cellulose concentrations in dry, ground, temperate forest woody foliage is presented. A comparison is made between two regression methods, stepwise multiple linear regression and partial least squares regression. The partial least squares method showed consistently lower standard error of calibration and higher R2 values with first and second difference equations. The first difference partial least squares regression equation resulted in standard errors of calibration of 0.106%, with an R2 of 0.97 for nitrogen, 1.613% with an R2 of 0.88 for lignin, and 2.103% with an R2 of 0.89 for cellulose. The four most highly correlated wavelengths in the near infrared region, and the chemical bonds represented, are shown for each constituent and both regression methods. Generalizability of both methods for prediction of protein, lignin, and cellulose concentrations on independent data sets is discussed. Prediction accuracy for independent data sets and species from other sites was increased using partial least squares regression, but was poor for sample sets containing tissue types or laboratory-measured concentration ranges beyond those of the calibration set.

2002 ◽  
Vol 56 (7) ◽  
pp. 887-896 ◽  
Author(s):  
Henrik Öjelund ◽  
Henrik Madsen ◽  
Poul Thyregod

In this article a new calibration method called empirically weighted mean subset (EMS) is presented. The method is illustrated using spectral data. Using several near-infrared (NIR) benchmark data sets, EMS is compared to partial least-squares regression (PLS) and interval partial least-squares regression (iPLS). It is found that EMS improves on the prediction performance over PLS in terms of the mean squared errors and is more robust than iPLS. Furthermore, by investigating the estimated coefficient vector of EMS, knowledge about the important spectral regions can be gained. The EMS solution is obtained by calculating the weighted mean of all coefficient vectors for subsets of the same size. The weighting is proportional to SS−ωγ, where SSγ is the residual sum of squares from a linear regression with subset γ and ω is a weighting parameter estimated using cross-validation. This construction of the weighting implies that even if some coefficients will become numerically small, none will become exactly zero. An efficient algorithm has been implemented in MATLAB to calculate the EMS solution and the source code has been made available on the Internet.


1998 ◽  
Vol 6 (A) ◽  
pp. A181-A184 ◽  
Author(s):  
Henryk W. Czarnik-Matusewicz ◽  
Adolf Korniewicz

The evaluation of near infrared (NIR) reflectance spectroscopy as a method for the determination of capsaicin (8-methyl-N-vanillyl-6-nonenamide)—an active ingredient in the antirheumatical plasters was examined. The analytical procedure for determining the capsaicin was carried out by conventional, time-consuming colorimetric method. Spectra of the 76 plaster samples were recorded in reflectance mode at 2 nm intervals in the range 1100–2500 nm using InfraAlyzer 500 (Bran+Luebbe GmbH). A comparison is made between two regression methods, stepwise multiple linear regression (MLR) and partial least squares regression (PLS). MLR and PLS regression were used for calibrations, with the aid of the software SESAME ver. 2.10 (Bran+Luebbe GmbH). The PLS method showed consistently lower standard error of calibration and higher R values with first and second difference equations. The first difference PLS regression equation resulted in standard error of calibration of 0.018 %, with an R of 0.95. Generalizability of both methods for prediction of capsaicin contents on independent data sets is discussed. Prediction accuracy for independent data sets was increased using PLS regression, but was poor for sample sets with laboratory-measured concentration ranges beyond those of the calibration set. The results in this study indicate that NIR technique has a high applicability to quantitative analysis of capsaicin content in antirheumatical plasters.


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