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
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Fornasaro, Stefano1
- Alsamad, Fatima2
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Baia, Monica3
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Batista de Carvalho, Luis A. E.4
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Beleites, Claudia5
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Byrne, Hugh J.6
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Chiadò, Alessandro7
- Chis, Mihaela3
- Chisanga, Malama8
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Daniel, Amuthachelvi9
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Dybas, Jakub10
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Eppe, Gauthier11
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Falgayrac, Guillaume12
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Faulds, Karen13
- Gebavi, Hrvoje14
- Giorgis, Fabrizio7
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Goodacre, Royston15
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Graham, Duncan13
- La Manna, Pietro16
- Laing, Stacey13
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Litti, Lucio17
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Lyng, Fiona M.9
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Malek, Kamilla10
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Malherbe, Cedric11
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Marques, Maria Paula M.18
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Meneghetti, Moreno17
- Mitri, Elisa1
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Mohaček-Grošev, Vlasta14
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Morasso, Carlo19
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Muhamadali, Howbeer15
- Musto, Pellegrino16
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Novara, Chiara7
- Pannico, Marianna16
- Penel, Guillaume12
- Piot, Olivier2
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Rindzevicius, Tomas20
- Rusu, Elena3
- Schmidt, Michael S.21
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Sergo, Valter22
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Sockalingum, Ganesh D.2
- Untereiner, Valérie2
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Vanna, Renzo19
- Wiercigroch, Ewelina10
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Bonifacio, Alois1
- 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)
| Name | Size | Download all |
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md5:4bbdc52f3eea95f25a30595dd30fd03a
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47.2 MB | Preview Download |
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md5:0f77151643c10f53d871e58bd973e485
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10.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.analchem.9b05658 (DOI)