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Development and evaluation of a simple Raman spectral searching algorithm

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Abstract

Raman spectroscopy has grown to a frequently applied technique in the analysis of art and archaeological objects. The growth in applications is further driven by the development of new, small and compact spectrometers that are well suited for in situ analysis. Different spectral databases have been composed, to allow fast identification of the materials at hand. However, the automated identification of the highly similar spectra of contemporary synthetic organic pigments is not straightforward, as spectral libraries that contain several hundreds of spectra are typically recorded on benchtop spectrometers that have different spectral resolutions and sensitivities and often use different excitation laser wavelengths. Therefore, here a simple automated spectral searching algorithm is proposed that is based on the comparison of a series of Raman band positions, to identify the materials. Thus, many of these interferences can be avoided. In this work, the proposed algorithm is tested on spectra that were recorded by using portable Raman instruments on mock-up samples as well as during the in situ analysis of street art.

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Data availability statement

This manuscript has associated data in a data repository. [Authors’ comment: The data that support the findings of this study are available from the corresponding author upon reasonable request.]

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Acknowledgements

A.R. thanks the Research Foundation Flanders/FWO-Vlaanderen for her postdoctoral Grant (12X1919N). E.P. is grateful to Fondazione Flaminia and to the University of Bologna for her traineeship grant.

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Authors and Affiliations

  1. Raman Spectroscopy Research Group, Department of Chemistry, Ghent University, S-12, Krijgslaan 281, 9000, Ghent, Belgium

    Anastasia Rousaki, Emma Paolin & Peter Vandenabeele

  2. Department of Chemistry “G. Ciamician”, University of Bologna, Ravenna Campus, Via Guaccimanni 42, 48121, Ravenna, Italy

    Emma Paolin & Giorgia Sciutto

  3. Archaeometry Research Group, Department of Archaeology, Ghent University, Sint-Pietersnieuwstraat 35, 9000, Ghent, Belgium

    Peter Vandenabeele

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  1. Anastasia Rousaki
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Correspondence to Anastasia Rousaki.

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Rousaki, A., Paolin, E., Sciutto, G. et al. Development and evaluation of a simple Raman spectral searching algorithm. Eur. Phys. J. Plus 136, 620 (2021). https://doi.org/10.1140/epjp/s13360-021-01577-8

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