Published December 16, 2019 | Version v1
Dataset Open

Dataset for Surface Enhanced Raman Spectroscopy for quantitative analysis: results of a large-scale European multi-instrument interlaboratory study

Authors/Creators

  • 1. Raman Spectroscopy Lab, Department of Engineering and Architecture, University of Trieste
  • 2. Université de Reims Champagne-Ardenne, BioSpecT-EA7506, UFR de Pharmacie
  • 3. Faculty of Physics, Babes-Bolyai University
  • 4. Molecular-Physical Chemistry R&D Unit, Department of Chemistry, University of Coimbra
  • 5. Chemometrix GmbH
  • 6. FOCAS Research Institute, Technological University Dublin
  • 7. Department of Applied Science and Technology, Politecnico di Torino
  • 8. School of Chemistry, Manchester Institute of Biotechnology
  • 9. Radiation and Environmental Science Centre, FOCAS Research Institute, Technological University Dublin
  • 10. Faculty of Chemistry, Jagiellonian University
  • 11. Mass Spectrometry Laboratory (MSLab), MolSys RU, University of Liège
  • 12. EA 4490 - PMOI, Univ. Lille; Univ. Littoral Côte d'Opale
  • 13. Bionanotechnology Research Section, Department of Pure and Applied Chemistry, University of Strathclyde
  • 14. Centre of Excellence for Advanced Materials and Sensing Devices, Division of Materials Physics, Rudjer Boskovic Institute
  • 15. Department of Biochemistry, Institute of Integrative Biology, University of Liverpool
  • 16. Institute on Polymers, Composites and Biomaterials, National Research Council of Italy
  • 17. Nanostructures & Optics Laboratory, Department of Chemical Sciences, University of Padova
  • 18. Molecular-Physical Chemistry R&D Unit, Department of Chemistry, University of Coimbra; Department of Life Sciences, University of Coimbra
  • 19. Nanomedicine and Molecular Imaging Lab, Istituti Clinici Scientifici Maugeri IRCCS
  • 20. Technical University of Denmark, Dep. of Health Technology
  • 21. Silmeco ApS
  • 22. Raman Spectroscopy Lab, Department of Engineering and Architecture, University of Trieste; Faculty of Health Sciences, University of Macau

Description

This dataset contains all the spectra used in "Surface Enhanced Raman Spectroscopy for quantitative analysis: results of a large-scale European multi-instrument interlaboratory study". Data are available in 2 different formats:

- a compressed archive with 1 folder ("Dataset”) cointaining all the 3516 TXT files (1 file = 1 spectrum) uploaded by all participants (all spectra of the Interlaboratory study);

- 1 single CSV file (“ILSspectra.csv”) with all the 3516 spectra uploaded by all participants in the form of a table. The data are structured as follow, with each row being 1 spectrum, preceded by metadata: "labcode", "substrate", "laser", "method", "sample", "type", "conc", "batch", "replica". Note that for those spectra starting after 400 cm-1 and/or ending before 2000 cm-1 missing values were expressed as NAs.

Notes

This dataset is based upon work from COST Action Raman4Clinics – Raman-based applications for clinical diagnostics (BM1401), supported by COST (European Cooperation in Science and Technology) – www.cost.eu

Files

Dataset.zip

Files (57.3 MB)

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md5:4bbdc52f3eea95f25a30595dd30fd03a
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md5:0f77151643c10f53d871e58bd973e485
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Additional details

Related works

Is supplement to
Journal article: 10.1021/acs.analchem.9b05658 (DOI)