Digital filtering and model updating methods for improving the robustness of near-infrared multivariate calibrations

Applied Spectroscopy

Volumn 63, Issue 2, 2009, Pages 246-255

  Kramer, Kirsten E ^a,b   Small, Gary W ^b  

^a University of Iowa   (United States)

^b Cognis Corp ^*  (United States)

Author keywords

Calibration; Digital filtering; Near infrared spectroscopy; NIR spectroscopy

Indexed keywords

ANALYTE; AQUEOUS SAMPLES; BACKGROUND SPECTRUM; BLOOD PLASMAS; BOVINE SERUM ALBUMINS; CALIBRATION DATUM; CALIBRATION MODELS; CLINICAL SAMPLES; DIGITAL FILTERING; INFINITE IMPULSE RESPONSE; INSTRUMENTAL RESPONSE; MATRIXES; MODEL PERFORMANCE; MODEL UPDATING; MULTIVARIATE CALIBRATIONS; NEAR INFRA REDS; NIR SPECTROSCOPY; PARTIAL LEAST SQUARES; PHYSIOLOGICAL LEVELS; PREDICTION PERFORMANCE; QUANTITATIVE ANALYSIS; SPECTRAL RANGES; STANDARD ERROR OF PREDICTIONS; TRANSMISSION SPECTRUMS; TRIACETIN; UPDATED MODELS; WARM-UP PERIODS;

BLOOD; CALIBRATION; CURVE FITTING; DIGITAL FILTERS; FOURIER TRANSFORMS; FREQUENCY RESPONSE; GLUCOSE; IMPULSE RESPONSE; INFRARED DEVICES; NEAR INFRARED SPECTROSCOPY; SPECTROSCOPIC ANALYSIS; SPECTRUM ANALYSIS; TEXTILES;

INFRARED SPECTROSCOPY;

BOVINE SERUM ALBUMIN; GLUCOSE; TRIACETIN;

ANIMAL; ARTICLE; CALIBRATION; CATTLE; EVALUATION; INFRARED SPECTROPHOTOMETRY; METHODOLOGY; REGRESSION ANALYSIS; SENSITIVITY AND SPECIFICITY;

ANIMALS; CALIBRATION; CATTLE; GLUCOSE; LEAST-SQUARES ANALYSIS; SENSITIVITY AND SPECIFICITY; SERUM ALBUMIN, BOVINE; SPECTROPHOTOMETRY, INFRARED; TRIACETIN;

EID: 61349136418     PISSN: 00037028     EISSN: None     Source Type: Journal    
DOI: 10.1366/000370209787392076     Document Type: Article

References (40)

1. D. A. Burns and E. W. Ciurczak, Handbook of Near-Infrared Analysis, Second Edition, Revised and Expanded (Marcel Dekker, Inc., New York, 2001).
2. D. M. Haaland and E. V. Thomas, Anal. Chem. 60, 1193 (1988).
3. R. G. Brereton, Analyst (Cambridge, U.K.) 125, 2125 (2000).
4. H. Martens and T. Næ, Multivariate Calibration (Wiley, New York, 1989).
5. M. A. Arnold and G. W. Small, Anal. Chem. 62, 1457 (1990).
6. L. A. Marquardt, M. A. Arnold, and G. W. Small, Anal. Chem. 65, 22, 3271 (1993).
7. K. H. Hazen, M. A. Arnold, and G. W. Small, Appl. Spectrosc. 48, 477 (1994).
8. L. Zhang, G. W. Small, and M. A. Arnold, Anal. Chem. 74, 4097 (2002).
9. L. Zhang, G. W. Small, and M. A. Arnold, Anal. Chem. 75, 5905 (2003).
10. Y. Wang, D. J. Veltkamp, and B. R. Kowalski, Anal. Chem. 63, 2750 (1991).
11. O. E. de Noord, Chemom. Intell. Lab. Syst. 25, 85 (1994).
12. E. Bouveresse and D. L. Massart, Vib. Spectrosc. 11, 3 (1996).
13. R. N. Feudale, N. A. Woody, H. Tan, A. J. Myles, S. D. Brown, and J. Ferre, Chemom. Intell. Lab. Syst. 64, 181 (2002).
14. K. Helland, H. E. Berntsen, O. S. Borgen, and H. Martens, Chemom. Intell. Lab. Syst. 14, 129 (1991).
15. D. M. Haaland and D. K. Melgaard, Vib. Spectrosc. 29, 171 (2002).
16. C. L. Stork and B. R. Kowalski, Chemom. Intell. Lab. Syst. 48, 151 (1999).]
17. X. Capron, B. Walczak, O. E. de Noord, and D. L. Massart, Chemom. Intell. Lab. Syst. 76, 205 (2005).
18. K. E. Kramer and G. W. Small, Appl. Spectrosc, 61, 497 (2007).
19. G. Horlick, Anal. Chem. 44, 943 (1972).
20. R. E. Shaffer, G. W. Small, and M. A. Arnold, Anal. Chem. 68, 2663 (1996).
21. G. W. Small, M. A. Arnold, and L. A. Marquardt, Anal. Chem. 65, 3279 (1993).
22. M. J. Mattu, G. W. Small, and M. A. Arnold, Anal. Chem. 69, 4695 (1997).
23. N. A. Cingo, G. W. Small, and M. A. Arnold. Vib. Spectrosc. 23, 103 (2000).
24. M. J. Wabomba, G. W. Small, and M. A. Arnold, Anal. Chim. Acta 490, 325 (2003).
25. Y. Liang, K. Fang, and Q. Xu, Chemom. Intell. Lab. Syst. 58, 43 (2001).
26. K. E. Kramer and G. W. Small, J. Near Infrared Spectrosc. 14, 291 (2006).
27. Q. Ding, G. W. Small, and M. A. Arnold, Appl. Spectrosc. 53, 402 (1999).
28. G. Lu, X. Zhou, M. A. Arnold, and G. A. Small, Appl. Spectrosc. 51, 1330 (1997).
29. S. Wold, K. Esbensen, and P. Geladi, Chemom. Intell. Lab. Syst. 2, 37 (1987).
30. A. S. Bangalore, R. E. Shaffer, G. W. Small, and M. A. Arnold, Anal. Chem. 68, 4200 (1996).
31. S. T. Pan, H. Chung, M. A. Arnold, and G. W. Small, Anal. Chem. 68, 1124 (1996).
32. Q. Ding, G. W. Small, and M. A. Arnold, Anal. Chem. 70, 4472 (1998).
33. S. W. Smith, The Scientist and Engineer's Guide to Digital Signal Processing (California Technical Publishing, San Diego, 1997).
34. C. Chen, Digital Signal Processing: Spectral Computation and Filter Design (Oxford University Press, New York, 2001).
35. S. M. Kuo and W. Can, Digital Signal Processors: Architectures, Implementations, and Applications (Prentice-Hall, Inc., Upper Saddle River, NJ, 2005).
36. D. M. Haaland and D. K. Melgaard, Appl. Spectrosc. 54, 1303 (2000).
37. D. M. Haaland and D. K. Melgaard, Appl. Spectrosc. 55, 1 (2001).
38. D. K. Melgaard, D. M. Haaland, and C. M. Wehlburg, Appl. Spectrosc. 56, 615 (2002).
39. C. M. Wehlburg, D. M. Haaland, and D. K. Melgaard, Appl. Spectrosc. 56, 877 (2002).
40. C. M. Wehlburg, D. M. Haaland, D. K. Melgaard, and L. E. Martin, Appl. Spectrosc. 56, 605 (2002).