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. 2020 Mar 25;10:5436. doi: 10.1038/s41598-020-62338-8

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© The Author(s) 2020

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Results of variable relations analysis for the SERS data sets with f = 0.8 (a), 0.5 (b), 0.2 (c), and 0.05 (d). Heatmaps of the selection frequencies using all band maxima of the characteristic spectra as chosen and also as potentially related variables over all 50 replicates are shown. K-means clustering with Euclidean distance was applied and groups that are characteristic for a single spectrum are labeled with S1 (single spectrum 1) and S2 (single spectrum 2). This figure was generated using the software R³³ (version 3.5.2) and CorelDRAW (version 19.1.0.419).