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Automated Gaussian Smoothing and Peak Detection Based on Repeated Averaging and Properties of a Spectrum’s Curvature

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Information Processing and Management of Uncertainty in Knowledge-Based Systems. Theory and Methods (IPMU 2010)

Abstract

In this paper, we address the two problems of automated smoothing and peak detection in spectral data analysis. We introduce the concept of triplet significance, and propose a repeated averaging approach, which is able to find a balance between noise reduction and signal preservation based on properties of a spectrum’s curvature. For evaluation purposes, multiple spectra are simulated at different levels of resolution and different distances between peaks for varying amplitudes of uniformly distributed noise. The results empirically show that the proposed methodology outperforms existing approaches based on local maximum detection or the lag-one autocorrelation coefficient.

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References

  1. Ernst, R.R., Bodenhausen, G., Wokaun, A.: Principles of Nuclear Magnetic Resonance in One and Two Dimensions. Oxford University Press, Oxford (1987)

    Google Scholar 

  2. Hoch, J.C., Stern, A.S.: NMR data processing. Wiley-Liss., Chichester (1996)

    Google Scholar 

  3. Nguyen, N., Huang, H., Oraintara, S., Vo, A.: Peak Detection in Mass Spectrometry by Gabor Filters and Envelope Analysis. Journal of Bioinformatics and Computational Biology 7(3), 547–569 (2009)

    Article  Google Scholar 

  4. Nelson, S.J., Brown, T.R.: Peak detection and quantification in nmr spectra using the piqable algorithm. Bul. Magn. Res. 11(3/4), 290–293 (1989)

    Google Scholar 

  5. Marshall, R.J.: The determination of peaks in biological waveforms. Computers and Biomedical Research 19(4), 319–329 (1986)

    Article  Google Scholar 

  6. Dijkstra, M., Roelofsen, H., Vonk, R.J., Jansen, R.C.: Peak quantification in surface-enhanced laser desorption/inization by using mixture models. Proteomics 6, 5106–5116 (2006)

    Article  Google Scholar 

  7. Koh, H.W., Maddula, S., Lambert, J., Hergenröder, R., Hildebrand, L.: An approach to automated frequency-domain feature extraction in nuclear magnetic resonance spectroscopy. Journal of Magnetic Resonance 201(2), 146–156 (2009)

    Article  Google Scholar 

  8. Gonzales, R.C., Woods, R.E.: Digital Image Processing, 2nd edn. Prentice-Hall, Englewood Cliffs (2002)

    Google Scholar 

  9. Faes, T.J.C., Govaerts, H.G., Tenvoorde, B.J., Rompelman, O.: Frequency synthesis of digital filters based on repeatedly applied unweighed moving average operations. Med. & Biol. Eng. & Comput. 32, 698–701 (1994)

    Article  Google Scholar 

  10. Cai, L.D.: Some notes on repeated averaging smoothing. In: Pattern Recognition, pp. 597–605 (1988)

    Google Scholar 

  11. Andrews, G.E.: Euler’s ”exemplum memorabile inductionis fallacis” and q-trinomial coefficients. Journal of the American Mathematical Society 3(3), 653–669 (1990)

    MathSciNet  MATH  Google Scholar 

  12. Euler, L.: Observations analyticae. Novi Commentarii Academiae Scientarum Petropolitanae 11, 124–143 (1765); Also in Volume 15 of Opera Omnia, Series 1, Teubner, pp. 50–69

    Google Scholar 

  13. Merlini, D., Sprugnoli, R., Verri, M.C.: Some statistics on dyck paths. Journal of Statistical Planning and Inference 101(1-2), 211–227 (2002)

    Article  MathSciNet  MATH  Google Scholar 

  14. Rice, J.: Mathematical Statistics and Data Analysis, 2nd edn. Duxbury Press (1995)

    Google Scholar 

  15. Lin, H.C., Wang, L.L., Yang, S.N.: Automatic determination of the spread parameter in gaussian smoothing. Pattern Recognition Letters 17(12), 1247–1252 (1996)

    Article  Google Scholar 

  16. Vivo-Truyols, G., Schoenmakers, P.J.: Automatic selection of optimal savitzky-golay smoothing. Analytical Chemistry 78(13), 4598–4608 (2006)

    Article  Google Scholar 

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Koh, HW., Hildebrand, L. (2010). Automated Gaussian Smoothing and Peak Detection Based on Repeated Averaging and Properties of a Spectrum’s Curvature. In: Hüllermeier, E., Kruse, R., Hoffmann, F. (eds) Information Processing and Management of Uncertainty in Knowledge-Based Systems. Theory and Methods. IPMU 2010. Communications in Computer and Information Science, vol 80. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-14055-6_39

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  • DOI: https://doi.org/10.1007/978-3-642-14055-6_39

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-14054-9

  • Online ISBN: 978-3-642-14055-6

  • eBook Packages: Computer ScienceComputer Science (R0)

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