Dataset for Repeated double cross validation applied to the PCA-LDA classification of SERS spectra: a case study with serum samples from hepatocellular carcinoma patients (original) (raw)

2020

Abstract

This dataset contains all the spectra used in the paper "Repeated double cross validation applied to the PCA-LDA classification of SERS spectra: a case study with serum samples from hepatocellular carcinoma patients", plus the R code to import the TXT (ASCII) files into a dataset, preprocess data, set-up and cross validate the PCA-LDA model and generate the figures shown in the paper. Data are available in 2 different formats: - 1 compressed archive ("dataset.zip") containing all the 144 TXT files (1 file = 1 spectrum) - 1 single CSV file ("dataset.csv") with all the 144 spectra in the form of a table. The data are structured as follow, with each row being 1 spectrum, preceded by metadata: "acquisition_date", "substrate_batch", "class", "sample_code". The code for R is available as a single file "Rcode.R".

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