A new formulation to estimate the variance of model prediction. Application to near infrared spectroscopy calibration

Analytica Chimica Acta

Volumn 721, Issue , 2012, Pages 28-34

  Fernandez Ahumada, E ^a   Roger, J M ^a   Palagos, B ^a  

^a CEMAGREF   (France)

Author keywords

Multivariate calibration; NIR spectroscopy; Prediction uncertainty

Indexed keywords

ANALYTICAL EXPRESSIONS; APPROXIMATE EXPRESSIONS; CHEMOMETRICS; COLINEARITY; ERROR STRUCTURES; MODEL PREDICTION; MULTIVARIATE CALIBRATION; NEAR INFRARED SPECTRA; NIR SPECTROSCOPY; PREDICTION UNCERTAINTY; PROTEIN CONTENTS; RESAMPLING METHOD;

MULTIVARIABLE SYSTEMS; REACTOR CORES; UNCERTAINTY ANALYSIS;

NEAR INFRARED SPECTROSCOPY;

ANALYSIS OF VARIANCE; ANALYTIC METHOD; ARTICLE; CALIBRATION; CONTROLLED STUDY; INTERMETHOD COMPARISON; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; NEAR INFRARED SPECTROSCOPY; PREDICTION; PRIORITY JOURNAL; PROTEIN CONTENT; UNCERTAINTY;

CALIBRATION; LINEAR MODELS; MODELS, THEORETICAL; SPECTROSCOPY, NEAR-INFRARED; UNCERTAINTY;

EID: 84858290306     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2012.01.044     Document Type: Article

References (21)

1. Evaluation of measurement data - guide to the expression of uncertainty in measurement.
2. Zeaiter M., Roger J.M., Bellon-Maurel V., Rutledge D.N. TRAC-Trend Anal. Chem. 2004, 23(2):157-170.
3. EURACHEM/CITAC Guide: Quantifying Uncertainty in Analytical Measurement 2000, EMPA, St. Gallen. 2nd ed.
4. Geladi P. Chemometr. Intell. Lab. 2002, 60(1-2):211-224.
5. Isaksson T., Naes T. Appl. Spectrosc. 1988, 42(7):1273-1284.
6. Egan W.J., Brewer W.E., Morgan S.L. Appl. Spectrosc. 1999, 53(2):218-225.
7. Chryssolouris G., Lee M., Ramsey A. IEEE Trans. Neural Networ. 1996, 7(1):229-232.
8. Höskuldsson A. J. Chemometr. 1988, 2(3):211-228.
9. Phatak A., Reilly P., Penlidis A. Anal. Chim. Acta 1993, 277(2):495-501.
10. Denham M. J. Chemometr. 1997, 11(1):39-52.
11. Faber K., Kowalski B. J. Chemometr. 1997, 11(3):181-238.
12. Faber N.K.M., Bro R. Chemometr. Intell. Lab. 2002, 61(1-2):133-149.
13. Faber N.M., Duewer D.L., Choquette S.J., Green T.L., Chesler S.N. Anal. Chem. 1998, 70:2972-2982.
14. Boqué R., Larrechi M.S., Rius F.X. Chemometr. Intell. Lab. Syst. 1999, 45:397-408.
15. Faber N.M. Chemometr. Intell. Lab. Syst. 2002, 64:169-179.
16. Fernández Pierna J.A., Jin L., Wahl F., Faber N.M., Massart D.L. Chemometr. Intell. Lab. Syst. 2003, 65:281-291.
17. Kapteyn A., Wansbeek T. Econometrica 1983, 1(6):1847-1849.
18. Zhang L., Garcia-Munoz S. Chemometr. Intell. Lab. 2009, 97(2):152-158.
19. Barnes R.J., Dhanoa M.S., Lister S.J. Appl. Spectrosc. 1989, 43:772-777.
20. Naes T., Isaksson T., Fearn T., Davies T. A User Friendly Guide to Multivariate Calibration and Classification 2002, NIR Publications, Chichester, West Sussex, United Kingdom.
21. Zeaiter M., Roger J.M., Bellon-Maurel V. Chemometr. Intell. Lab. 2006, 80(2):227-235.