Outlier detection in chemical data by fractal analysis

Journal of Chemometrics

Volumn 18, Issue 7-8, 2004, Pages 317-326

  Cramer, Jeffrey A ^a   Shah, Sitaram S ^a   Battaglia, Tina M ^a   Banerji, Soame N ^a   Obando, Louis A ^a   Booksh, Karl S ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

Batch analysis; Fractals; Outlier detection; Principal component analysis; Process analysis

Indexed keywords

CHEMICAL DETECTION; FRACTAL DIMENSION; STATISTICS; SURFACE PLASMON RESONANCE;

BATCH ANALYSE; BATCH DATA; CHEMICAL DATA; CROSS VALIDATION; DATA SET; FRACTAL ANALYSIS; LATENT VARIABLE; OUTLIER DETECTION; PRINCIPAL-COMPONENT ANALYSIS; PROCESS ANALYSIS;

PRINCIPAL COMPONENT ANALYSIS;

ARTICLE; CALCULATION; DATA BASE; FRACTAL ANALYSIS; MATHEMATICAL ANALYSIS; OUTLIER DETECTION TECHNIQUE; STATISTICAL ANALYSIS; SURFACE PLASMON RESONANCE; TECHNIQUE; VALIDATION PROCESS;

EID: 14944344557     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/cem.875     Document Type: Article

References (31)

1. Dean RB, Dixon WJ. Simplified statistics for small numbers of observations. Anal. Chem. 1951; 23: 636-638.
2. Beebe KR, Pell RJ, Seasholtz MB. Chemometrics: A Practical Guide. Wiley: New York, 1998.
3. Jackson JE. A User's Guide to Principal Components. Wiley: New York, 1991.
4. Rousseeuw PJ, Leroy A. Robust Regression and Outlier Detection. Wiley: New York, 1987.
5. Egan WJ, Morgan SL. Outlier detection in multivariate analytical chemical data. Anal. Chem. 1998; 70: 2372-2379.
6. Chiang LH, Pell RJ, Seasholtz MB. Exploring process data with the use of robust outlier detection algorithms. J. Process Control 2003; 13: 437-449.
7. Fernandez Pierna JA, Wahl F, de Noord OE, Massart DL. Methods for outlier detection in prediction. Chemometrics Intell. Lab. Syst. 2002; 63: 27-39.
8. Pell RJ. Multiple outlier detection for multivariate calibration using robust statistical techniques. Chemometrics Intell. Lab. Syst. 2000; 52: 87-104.
9. Hubert M, Verboven S. A robust PCR method for high-dimensional regressors. J. Chemometrics 2003; 17: 438-452.
10. Zhang MH, Xu QS, Massart DL. Robust principal components regression based on principal sensitivity vectors. Chemometrics Intell. Lab. Syst. 2003; 67: 175-185.
11. Johnston KS, Yee SS, Booksh KS. Calibration of surface plasmon resonance refractometers using locally weighted parametric regression. Anal. Chem. 1997; 69: 1844-1851.
12. Smith EA, Corn RM. Surface plasmon resonance imaging as a tool to monitor biomolecular interactions in an array based format. Appl Spectrosc. 2003; 57: 320A-332A.
13. Nigam S, Rutan S. Principles and applications of solvatochromism. Appl. Spectrosc. 2001; 55: 362A-370A.
14. Morita S, Ozaki Y. Pattern recognitions of band shifting, overlapping, and broadening using global phase description derived from generalized two-dimensional correlation spectroscopy. Appl. Spectrosc. 2002; 56: 502-508.
15. Elmore DL, Dluhy RA. Pressure-dependent changes in the infrared C-H vibrations of monolayer films at the air/water interface revealed by two-dimensional infrared correlation spectroscopy. Appl. Spectrosc. 2000; 54: 956-962.
16. Czarnecki MA. Two-dimensional correlation spectroscopy: effect of band position, width, and intensity changes on correlation intensities. Appl. Spectrosc. 2000; 54: 986-993.
17. Smith SA, Brodsky AM, Burgess LW. Grating light reflection spectroscopy. Appl. Spectrosc. 1998; 52: 332A-343A.
18. Peitgen H, Saupe D (eds). The Science of Fractal Images. Springer: New York, 1988.
19. Tominaga Y, Fujiwara I. Data structure comparison using fractal analysis. Chemometrics Intell Lab. Syst. 1997; 39: 187-193.
20. Struzik ZR, Siebes AP. Wavelet transform based multifractal formalism in outlier detection and localisation for financial time series. Physica A 2002; 309: 388-402.
21. Muzy JF, Bacry E, Arneodo A. Wavelets and multifractal formalism for singular signals: application to turbulence data. Phys. Rev. Lett. 1991; 67: 3515-3518.
22. Shroeder M. Fractals, Chaos, and Power Laws: Minutes from an Infinite Paradise. WH Freeman: New York, 1991.
23. Gleick J. Chaos: Making a New Science. Penguin Press: New York, 1988.
24. Reither H. Surface Plasmons on Smooth and Rough Surfaces and on Gratings. Springer: New York, 1988.
25. Johnson KS. Characterization of thin films using surface plasmon resonance. Master's Thesis in Electrical Engineering, University of Washington, 1995.
26. Jorgenson RC, Yee SS. A fiber optic chemical sensor based on surface plasmon resonance. Sens. Actuat. B 1993; 12: 213-220.
27. Vogt F, Booksh KS. Influence of wavelength shifted calibration spectra on multivariate calibration models. Appl. Spectrosc 2004; 58: 624-635.
28. Somorjai GA. Introduction to Surface Chemistry and Catalysis. Wiley: New York, 1994.
29. Frøyland J. Introduction to Chaos and Coherence. IOP Publishing: Bristol, 1992.
30. Brereton RG. Chemometrics: Data Analysis for the Laboratory and Chemical Plant. Wiley: Chichester, 2003.
31. Masson JF, Hamersky KA, Beaudoin S, Booksh KS. In vitro biochemical monitoring with fiber optic based surface plasmon resonance sensors. Proc. SPIE 2003; 5261: 123-134.