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用于复合饲料合规保证的近红外光谱LOCAL算法的实施

Implementation of LOCAL algorithm with near-infrared spectroscopy for compliance assurance in compound feedingstuffs.

作者信息

Pérez-Marín D, Garrido-Varo A, Guerrero J E

机构信息

Department of Animal Production, E. T. S. I. A. M., Universidad de Córdoba, Spain.

出版信息

Appl Spectrosc. 2005 Jan;59(1):69-77. doi: 10.1366/0003702052940585.

Abstract

Seven thousand four hundred and twenty-three compound feed samples were used to develop near-infrared (NIR) calibrations for predicting the percentage of each ingredient used in the manufacture of a given compound feedingstuff. Spectra were collected at 2 nm increments using a FOSS NIRSystems 5000 monochromator. The reference data used for each ingredient percentage were those declared in the formula for each feedingstuff. Two chemometric tools for developing NIRS prediction models were compared: the so-called GLOBAL MPLS (modified partial least squares), traditionally used in developing NIRS applications, and the more recently developed calibration strategy known as LOCAL. The LOCAL procedure is designed to select, from a large database, samples with spectra resembling the sample being analyzed. Selected samples are used as calibration sets to develop specific MPLS equations for predicting each unknown sample. For all predicted ingredients, LOCAL calibrations resulted in a significant improvement in both standard error of prediction (SEP) and bias values compared with GLOBAL calibrations. Determination coefficient values (r(2)) also improved using the LOCAL strategy, exceeding 0.90 for most ingredients. Use of the LOCAL algorithm for calibration thus proved valuable in minimizing the errors in NIRS calibration equations for predicting a parameter as complex as the percentage of each ingredient in compound feedingstuffs.

摘要

使用7423个复合饲料样本建立近红外(NIR)校准模型,以预测给定复合饲料生产中每种成分的百分比。使用FOSS NIRSystems 5000单色仪以2nm的增量收集光谱。每种成分百分比的参考数据是每种饲料配方中声明的数据。比较了两种用于开发近红外光谱(NIRS)预测模型的化学计量工具:传统上用于开发NIRS应用的所谓全局MPLS(改进的偏最小二乘法),以及最近开发的称为局部校准的策略。局部校准程序旨在从大型数据库中选择光谱与被分析样本相似的样本。选定的样本用作校准集,以开发用于预测每个未知样本的特定MPLS方程。对于所有预测的成分,与全局校准相比,局部校准在预测标准误差(SEP)和偏差值方面均有显著改善。使用局部校准策略时,决定系数值(r(2))也有所提高,大多数成分超过0.90。因此,使用局部算法进行校准对于最小化预测复合饲料中每种成分百分比这样复杂参数的近红外光谱校准方程中的误差很有价值。

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