Abstract
Our process of automatic identification of Raman spectra includes algorithmics and mathematical methods, and it is divided in two main steps. The first one consists on the pre-processing of the spectra. This includes reducing the spectral noise level by means of smoothing filters with adjustable parameters which depend on the spectral characteristics of the data. In addition, it is necessary to remove the baseline of the spectra, as a curved baseline can hinder the processing of relevant spectral data. To do so, several different approaches and mathematical methods have been studied, and a new method has been proposed. Finally, a method has been developed to provide robust and autonomous peak detection based on the specific characteristics of the spectrum. The second step consists on the automatic ID of spectra. For this, an algorithm which compares band positions and intensities has been implemented to decide what materials are present in the spectrum under study.
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References
Long, D. A. (2002). The Raman effect: A unified treatment of the theory of Raman scattering by molecules (Vol. 1, 1st ed.). New York: Wiley.
Quintero, A. L., Hunt, S., & Diem, M. (2007). Denoising of Raman spectroscopy signals, Research Thrust R2 Publications, Paper 2007.
Weakley, A. T., Griffiths, P. R., & Aston, D. E. (2012). Automatic baseline subtraction of vibrational spectra using minima identification and discrimination via adaptive, least-squares thresholding. Applied Spectroscopy. 66, 519–529.
Jirasek, A., Schulze, G., Yu, M. M. L., Blades, M. W., & Turner, R. F. B. (2004). Accuracy and precision of manual baseline determination. Applied Spectroscopy, 58, 1488–1499.
Rull Perez, F., & Martinez-Frias, J. (2006). Raman spectroscopy goes to mars. Spectroscopy Europe, 18, 18–21.
Vandenabeele, P., Hardy, A., Edwards, H. G. M., & Moens, L. (2011). Evaluation of a spectral searching algorithm for the comparison of Raman band positions. Spectrochimica Acta Part A, 80, 8–13.
Database of Raman spectra, X-ray diffraction and chemistry data for minerals. Retrieved January 27, 2013, from http://rruff.info.
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Rodriguez, I.H., Lopez-Reyes, G., Llanos, D.R., Perez, F.R. (2014). Automatic Raman Spectra Processing for Exomars. In: Pardo-Igúzquiza, E., Guardiola-Albert, C., Heredia, J., Moreno-Merino, L., Durán, J., Vargas-Guzmán, J. (eds) Mathematics of Planet Earth. Lecture Notes in Earth System Sciences. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-32408-6_31
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DOI: https://doi.org/10.1007/978-3-642-32408-6_31
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