Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages

I. Ruisánchez; F. X. Rius; S. Maspoch; J. Coello; T. Azzouz; R. Tauler; L. Sarabia; M. C. Ortiz; J. A. Fernández; D. Massart; A. Puigdomènech; C. García

doi:10.1016/S0169-7439(02)00039-4

Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages

I. Ruisánchez, F. X. Rius, S. Maspoch, J. Coello, T. Azzouz, R. Tauler, L. Sarabia, M. C. Ortiz, J. A. Fernández, D. Massart, A. Puigdomènech, C. García

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

13 Citations (Scopus)

Abstract

Within the framework of the 'European Network for the Intercomparison of Chemometric Software and Methods,' a project supported by the European Commission, we have carried out a proficiency study on a near infrared spectroscopy (NIR) data set to determine how different the results from several laboratories were when they used their preferred multivariate calibration method and software. The data set was distributed to six participants, all of whom had previous knowledge and experience on multivariate calibration. The data consisted of NIR spectra of 305 forage samples recorded under the same conditions by a specialised laboratory. Two parameters were predicted, moisture at 103-105°C and crude protein content. Results showed that the root mean square error of prediction (RMSEP) values obtained by all laboratories were acceptable, although they varied considerably. These results were preliminary and they will be used to properly define a final proficiency study in which more participants will collaborate. © 2002 Elsevier Science B.V. All rights reserved.

Original language	English
Pages (from-to)	93-105
Journal	Chemometrics and Intelligent Laboratory Systems
Volume	63
Issue number	2
DOIs	https://doi.org/10.1016/S0169-7439(02)00039-4
Publication status	Published - 28 Sep 2002

Keywords

Chemometric intercomparison
Forages intercomparison
Interlaboratory data study
Multivariate calibration
NIR data intercomparison

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Ruisánchez, I., Rius, F. X., Maspoch, S., Coello, J., Azzouz, T., Tauler, R., Sarabia, L., Ortiz, M. C., Fernández, J. A., Massart, D., Puigdomènech, A., & García, C. (2002). Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages. Chemometrics and Intelligent Laboratory Systems, 63(2), 93-105. https://doi.org/10.1016/S0169-7439(02)00039-4

Ruisánchez, I. ; Rius, F. X. ; Maspoch, S. ; Coello, J. ; Azzouz, T. ; Tauler, R. ; Sarabia, L. ; Ortiz, M. C. ; Fernández, J. A. ; Massart, D. ; Puigdomènech, A. ; García, C. / Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages. In: Chemometrics and Intelligent Laboratory Systems. 2002 ; Vol. 63, No. 2. pp. 93-105.

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abstract = "Within the framework of the 'European Network for the Intercomparison of Chemometric Software and Methods,' a project supported by the European Commission, we have carried out a proficiency study on a near infrared spectroscopy (NIR) data set to determine how different the results from several laboratories were when they used their preferred multivariate calibration method and software. The data set was distributed to six participants, all of whom had previous knowledge and experience on multivariate calibration. The data consisted of NIR spectra of 305 forage samples recorded under the same conditions by a specialised laboratory. Two parameters were predicted, moisture at 103-105°C and crude protein content. Results showed that the root mean square error of prediction (RMSEP) values obtained by all laboratories were acceptable, although they varied considerably. These results were preliminary and they will be used to properly define a final proficiency study in which more participants will collaborate. {\textcopyright} 2002 Elsevier Science B.V. All rights reserved.",

keywords = "Chemometric intercomparison, Forages intercomparison, Interlaboratory data study, Multivariate calibration, NIR data intercomparison",

author = "I. Ruis{\'a}nchez and Rius, {F. X.} and S. Maspoch and J. Coello and T. Azzouz and R. Tauler and L. Sarabia and Ortiz, {M. C.} and Fern{\'a}ndez, {J. A.} and D. Massart and A. Puigdom{\`e}nech and C. Garc{\'i}a",

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Ruisánchez, I, Rius, FX, Maspoch, S, Coello, J, Azzouz, T, Tauler, R, Sarabia, L, Ortiz, MC, Fernández, JA, Massart, D, Puigdomènech, A & García, C 2002, 'Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages', Chemometrics and Intelligent Laboratory Systems, vol. 63, no. 2, pp. 93-105. https://doi.org/10.1016/S0169-7439(02)00039-4

Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages. / Ruisánchez, I.; Rius, F. X.; Maspoch, S.; Coello, J.; Azzouz, T.; Tauler, R.; Sarabia, L.; Ortiz, M. C.; Fernández, J. A.; Massart, D.; Puigdomènech, A.; García, C.

In: Chemometrics and Intelligent Laboratory Systems, Vol. 63, No. 2, 28.09.2002, p. 93-105.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Preliminary results of an interlaboratory study of chemometric software and methods on NIR data. Predicting the content of crude protein and water in forages

AU - Ruisánchez, I.

AU - Rius, F. X.

AU - Maspoch, S.

AU - Coello, J.

AU - Azzouz, T.

AU - Tauler, R.

AU - Sarabia, L.

AU - Ortiz, M. C.

AU - Fernández, J. A.

AU - Massart, D.

AU - Puigdomènech, A.

AU - García, C.

PY - 2002/9/28

Y1 - 2002/9/28

N2 - Within the framework of the 'European Network for the Intercomparison of Chemometric Software and Methods,' a project supported by the European Commission, we have carried out a proficiency study on a near infrared spectroscopy (NIR) data set to determine how different the results from several laboratories were when they used their preferred multivariate calibration method and software. The data set was distributed to six participants, all of whom had previous knowledge and experience on multivariate calibration. The data consisted of NIR spectra of 305 forage samples recorded under the same conditions by a specialised laboratory. Two parameters were predicted, moisture at 103-105°C and crude protein content. Results showed that the root mean square error of prediction (RMSEP) values obtained by all laboratories were acceptable, although they varied considerably. These results were preliminary and they will be used to properly define a final proficiency study in which more participants will collaborate. © 2002 Elsevier Science B.V. All rights reserved.

AB - Within the framework of the 'European Network for the Intercomparison of Chemometric Software and Methods,' a project supported by the European Commission, we have carried out a proficiency study on a near infrared spectroscopy (NIR) data set to determine how different the results from several laboratories were when they used their preferred multivariate calibration method and software. The data set was distributed to six participants, all of whom had previous knowledge and experience on multivariate calibration. The data consisted of NIR spectra of 305 forage samples recorded under the same conditions by a specialised laboratory. Two parameters were predicted, moisture at 103-105°C and crude protein content. Results showed that the root mean square error of prediction (RMSEP) values obtained by all laboratories were acceptable, although they varied considerably. These results were preliminary and they will be used to properly define a final proficiency study in which more participants will collaborate. © 2002 Elsevier Science B.V. All rights reserved.

KW - Chemometric intercomparison

KW - Forages intercomparison

KW - Interlaboratory data study

KW - Multivariate calibration

KW - NIR data intercomparison

U2 - 10.1016/S0169-7439(02)00039-4

DO - 10.1016/S0169-7439(02)00039-4

M3 - Article

VL - 63

SP - 93

EP - 105

JO - Chemometrics and Intelligent Laboratory Systems

JF - Chemometrics and Intelligent Laboratory Systems

SN - 0169-7439

IS - 2

ER -