Published March 4, 2022 | Version v1
Dataset Open

Dataset for "Spectroscopic investigation of faeces with surface-enhanced Raman scattering: a case study with coeliac patients on gluten-free diet"

Description

This dataset contains all the spectra and OTU table data used in the paper "Spectroscopic investigation of faeces with surface-enhanced Raman scattering: a case study with coeliac patients on gluten-free diet", plus the R code to import the TXT (ASCII) files into a dataset, preprocess data, analzye data and generate the figures shown in the paper.

Spectral data are available in 2 different format:

- the original TXT files (as generated from the Raman instrument, 1 file = 1 spectrum)

- as RData file (an hyperSpec object including metadata), directly to be opened in R

The OTU table is available either as a single XLSX file or as a RData file to be opened in R.

The R code used to generate the figures is available as a single file "Rcode.R".

Files

dataset+R_code.zip

Files (1.8 MB)

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md5:21aa64287dc1022f02978df9e7ffb228
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Additional details

Related works

Is cited by
Journal article: 10.1007/s00216-022-03975-y (DOI)