Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study [* Cross-Reference *]

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Shuxia Guo; Claudia Beleites; Ute Neugebauer; Sara Abalde‐Cela; Nils Kristian Afseth; Fatima Alsamad; Suresh Anand; C. Araujo-Andrade; Sonja Aškrabić; Ertuğ Avcı; Monica Baia; Małgorzata Barańśka; Enrico Baria; Luís A. E. Batista de Carvalho; Philippe de Bettignies; Alois Bonifacio; Franck Bonnier; Eva Brauchle; Hugh J. Byrne; Igor Chourpa; Riccardo Cicchi; Frederic Cuisinier; Mustafa Çulha; Marcel Dahms; Catalina David; Ludovic Duponchel; Shiyamala Duraipandian; Samir F. El‐Mashtoly; David I. Ellis; Gauthier Eppe; Guillaume Falgayrac; Ozren Gamulin; Benjamin Gardner; Peter Gardner; Klaus Gerwert; Evangelos J. Giamarellos‐Bourboulis; Sveinbjörn Gizurarson; Marcin Gnyba; Royston Goodacre; Patrick Grysan; Orlando Guntinas‐Lichius; Helga Helgadóttir; Vlasta Mohaček‐Grošev; Catherine Kendall; Roman Kiselev; Micha Kölbach; Christoph Krafft; Sivashankar Krishnamoorthy; Patrick Kubryck; Bernhard Lendl; Pablo Loza‐Álvarez; Fiona M. Lyng; Susanne Machill; Cédric Malherbe; Mónica Marro; M. Paula M. Marques; Ewelina Matuszyk; Carlo Morasso; Myriam Moreau; Howbeer Muhamadali; Valentina Mussi; Ioan Notingher; Marta Z. Pacia; Francesco S. Pavone; Guillaume Penel; Dennis R. Petersen; Olivier Piot; Julietta V. Rau; Marc Richter; Maria K. Rybarczyk; Hamideh Salehi; Katja Schenke‐Layland; Sebastian Schlücker; Markus Schosserer; Karin Schütze; Valter Sergo; Faris Sinjab; Janusz Smulko; Ganesh D. Sockalingum; Clara Stiebing; Nicholas Stone; Valérie Untereiner; Renzo Vanna; Karin Wieland; Jürgen Popp; Thomas Bocklitz, 2026, "Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study [* Cross-Reference *]", https://lore.list.lu/citation?persistentId=perma:LIST.IFOHQJ, LIST Open Repository, V1

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Description	Slightly processed raw data for the paper 'Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study' The processing include a spike removal to allow an interpolation to a common wavenumber axis. Always three files belong to each other: wavenumber axis file (wx_XYZ), spectral intensity file (spec_XYZ) and metadata file (meta_XYZ). The ‘XYZ’ refers to the samples measured (see the publication and its SI for details). (2020-10-29) *This entry has been automatically imported via OpenAlex by LIST harvest scripts. Please refer to https://doi.org/10.5281/zenodo.4152953 for the original and latest version of the publication* (2026-07-01)
Subject	Chemistry; Medicine, Health and Life Sciences; Physics
Keyword	Comparability, Raman spectroscopy, Scale (ratio), Analytical Chemistry (journal), Computer science, Chemistry, Environmental chemistry, Geography, Physics, Mathematics, Optics, Cartography, Combinatorics
License/Data Use Agreement	CC BY 4.0


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Citation Metadata

Persistent Identifier	perma:LIST.IFOHQJ
Publication Date	2026-07-06
Title	Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study [* Cross-Reference *]
Other Identifier	https://doi.org/10.5281/zenodo.4152953 OpenAlex ID: https://openalex.org/W4393432104
Author	Shuxia Guo (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0001-8237-8936 Claudia Beleites (Chemometrix (Germany)) - ORCID: https://orcid.org/0000-0003-1626-154X Ute Neugebauer (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0002-7593-6132 Sara Abalde‐Cela (International Iberian Nanotechnology Laboratory) - ORCID: https://orcid.org/0000-0001-5615-594X Nils Kristian Afseth (Nofima) Fatima Alsamad (BioSpectroscopie Translationnelle, Université de Reims Champagne-Ardenne) Suresh Anand (National Research Council) - ORCID: https://orcid.org/0000-0001-8859-4090 C. Araujo-Andrade (Institute of Photonic Sciences) - ORCID: https://orcid.org/0000-0001-7397-5093 Sonja Aškrabić (University of Belgrade, Institute of Physics Belgrade) Ertuğ Avcı (Yeditepe University) Monica Baia (Babeș-Bolyai University) - ORCID: https://orcid.org/0000-0001-6820-2491 Małgorzata Barańśka (Jagiellonian University) - ORCID: https://orcid.org/0000-0001-8826-3144 Enrico Baria (University of Florence) - ORCID: https://orcid.org/0000-0001-9679-7736 Luís A. E. Batista de Carvalho (University of Coimbra) - ORCID: https://orcid.org/0000-0002-8059-8537 Philippe de Bettignies (Horiba (France)) Alois Bonifacio (University of Trieste) - ORCID: https://orcid.org/0000-0002-2251-7786 Franck Bonnier (Université de Tours) - ORCID: https://orcid.org/0000-0003-3658-4792 Eva Brauchle (Natural and Medical Sciences Institute, University of Tübingen) - ORCID: https://orcid.org/0000-0001-9208-5010 Hugh J. Byrne (Technological University Dublin) - ORCID: https://orcid.org/0000-0002-1735-8610 Igor Chourpa (Université de Tours) - ORCID: https://orcid.org/0000-0003-2116-0735 Riccardo Cicchi (National Research Council) - ORCID: https://orcid.org/0000-0002-2583-6694 Frederic Cuisinier (Université de Montpellier) Mustafa Çulha (Yeditepe University) - ORCID: https://orcid.org/0000-0002-3844-5190 Marcel Dahms (Leibniz Institute of Photonic Technology) Catalina David (Horiba (France)) Ludovic Duponchel (Centre National de la Recherche Scientifique, Université de Lille, Laboratoire de Spectroscopie pour les Interactions, la Réactivité et l'Environnement) - ORCID: https://orcid.org/0000-0002-7206-4498 Shiyamala Duraipandian (Technological University Dublin) Samir F. El‐Mashtoly (Ruhr University Bochum) - ORCID: https://orcid.org/0000-0001-6087-8817 David I. Ellis (University of Manchester) - ORCID: https://orcid.org/0000-0002-7633-7019 Gauthier Eppe (University of Liège) - ORCID: https://orcid.org/0000-0002-4821-3115 Guillaume Falgayrac (Université de Lille, Université du littoral côte d'opale) - ORCID: https://orcid.org/0000-0003-1806-1509 Ozren Gamulin (University of Zagreb) - ORCID: https://orcid.org/0000-0001-6046-9773 Benjamin Gardner (University of Exeter) - ORCID: https://orcid.org/0000-0002-7223-9585 Peter Gardner (University of Manchester) - ORCID: https://orcid.org/0000-0003-4034-3764 Klaus Gerwert (Ruhr University Bochum) - ORCID: https://orcid.org/0000-0001-8759-5964 Evangelos J. Giamarellos‐Bourboulis (University General Hospital Attikon) - ORCID: https://orcid.org/0000-0003-4713-3911 Sveinbjörn Gizurarson (University of Iceland) - ORCID: https://orcid.org/0000-0001-7824-9752 Marcin Gnyba (Gdańsk University of Technology) - ORCID: https://orcid.org/0000-0002-9445-4905 Royston Goodacre (University of Liverpool) - ORCID: https://orcid.org/0000-0003-2230-645X Patrick Grysan (Luxembourg Institute of Science and Technology) - ORCID: https://orcid.org/0000-0003-2081-8267 Orlando Guntinas‐Lichius (Jena University Hospital) - ORCID: https://orcid.org/0000-0001-9671-0784 Helga Helgadóttir (University of Iceland) - ORCID: https://orcid.org/0000-0002-5422-1947 Vlasta Mohaček‐Grošev (Ruđer Bošković Institute) - ORCID: https://orcid.org/0000-0002-8009-4822 Catherine Kendall (Gloucestershire Hospitals NHS Foundation Trust) - ORCID: https://orcid.org/0000-0002-7705-853X Roman Kiselev (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0003-3290-6221 Micha Kölbach Christoph Krafft (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0003-1049-0560 Sivashankar Krishnamoorthy (Luxembourg Institute of Science and Technology) - ORCID: https://orcid.org/0000-0003-0410-1696 Patrick Kubryck Bernhard Lendl (TU Wien) - ORCID: https://orcid.org/0000-0003-3838-5842 Pablo Loza‐Álvarez (Institute of Photonic Sciences) - ORCID: https://orcid.org/0000-0002-3129-1213 Fiona M. Lyng (Technological University Dublin) - ORCID: https://orcid.org/0000-0002-9876-963X Susanne Machill (Technische Universität Dresden) - ORCID: https://orcid.org/0000-0003-0255-0391 Cédric Malherbe (University of Liège) - ORCID: https://orcid.org/0000-0001-5146-6706 Mónica Marro (Institute of Photonic Sciences) - ORCID: https://orcid.org/0000-0003-4031-4605 M. Paula M. Marques (University of Coimbra) - ORCID: https://orcid.org/0000-0002-8391-0055 Ewelina Matuszyk (Jagiellonian University) - ORCID: https://orcid.org/0000-0002-4501-0937 Carlo Morasso (Istituti Clinici Scientifici Maugeri) - ORCID: https://orcid.org/0000-0001-9185-0198 Myriam Moreau (Centre National de la Recherche Scientifique, Université de Lille, Laboratoire de Spectroscopie pour les Interactions, la Réactivité et l'Environnement) - ORCID: https://orcid.org/0000-0003-4720-4994 Howbeer Muhamadali (University of Liverpool) - ORCID: https://orcid.org/0000-0002-1665-4717 Valentina Mussi (National Research Council, Institute for Microelectronics and Microsystems) - ORCID: https://orcid.org/0000-0003-1465-1739 Ioan Notingher (University of Nottingham) - ORCID: https://orcid.org/0000-0002-5360-230X Marta Z. Pacia (Jagiellonian University) - ORCID: https://orcid.org/0000-0002-0391-2502 Francesco S. Pavone - ORCID: https://orcid.org/0000-0002-0675-3981 Guillaume Penel (Université de Lille, Université du littoral côte d'opale) - ORCID: https://orcid.org/0000-0003-4113-1798 Dennis R. Petersen (Ruhr University Bochum) Olivier Piot (Université de Reims Champagne-Ardenne) - ORCID: https://orcid.org/0000-0001-7869-5242 Julietta V. Rau (Institute of Structure of Matter) - ORCID: https://orcid.org/0000-0002-7953-1853 Marc Richter - ORCID: https://orcid.org/0000-0002-6563-8123 Maria K. Rybarczyk (Gdańsk University of Technology) Hamideh Salehi (Université de Montpellier) - ORCID: https://orcid.org/0000-0001-7051-8110 Katja Schenke‐Layland (Natural and Medical Sciences Institute, University of Tübingen) - ORCID: https://orcid.org/0000-0001-8066-5157 Sebastian Schlücker (University of Duisburg-Essen) - ORCID: https://orcid.org/0000-0003-4790-4616 Markus Schosserer (Institute of Molecular Biotechnology, BOKU University) - ORCID: https://orcid.org/0000-0003-2025-0739 Karin Schütze (Institute of Pathology Celle) Valter Sergo (University of Trieste) - ORCID: https://orcid.org/0000-0003-3864-658X Faris Sinjab (University of Nottingham) - ORCID: https://orcid.org/0000-0001-9932-9786 Janusz Smulko (Gdańsk University of Technology) - ORCID: https://orcid.org/0000-0003-1459-4199 Ganesh D. Sockalingum (Université de Reims Champagne-Ardenne) - ORCID: https://orcid.org/0000-0003-3160-4678 Clara Stiebing (Leibniz Institute of Photonic Technology) Nicholas Stone (University of Exeter) - ORCID: https://orcid.org/0000-0001-5603-3731 Valérie Untereiner (Université de Reims Champagne-Ardenne) - ORCID: https://orcid.org/0000-0002-3360-0171 Renzo Vanna (Istituti Clinici Scientifici Maugeri) - ORCID: https://orcid.org/0000-0001-6218-8393 Karin Wieland (TU Wien) - ORCID: https://orcid.org/0000-0002-4535-5679 Jürgen Popp (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0003-4257-593X Thomas Bocklitz (Leibniz Institute of Photonic Technology) - ORCID: https://orcid.org/0000-0003-2778-6624
Point of Contact	Use email button above to contact. LIST QDKM (LIST)
Description	Slightly processed raw data for the paper 'Comparability of Raman Spectroscopic Configurations: A Large Scale Cross-Laboratory Study' The processing include a spike removal to allow an interpolation to a common wavenumber axis. Always three files belong to each other: wavenumber axis file (wx_XYZ), spectral intensity file (spec_XYZ) and metadata file (meta_XYZ). The ‘XYZ’ refers to the samples measured (see the publication and its SI for details). (2020-10-29) *This entry has been automatically imported via OpenAlex by LIST harvest scripts. Please refer to https://doi.org/10.5281/zenodo.4152953 for the original and latest version of the publication* (2026-07-01)
Subject	Chemistry; Medicine, Health and Life Sciences; Physics
Keyword	Comparability Raman spectroscopy Scale (ratio) Analytical Chemistry (journal) Computer science Chemistry Environmental chemistry Geography Physics Mathematics Optics Cartography Combinatorics
Topic Classification	Spectroscopy Techniques in Biomedical and Chemical Research Spectroscopy and Chemometric Analyses
Deposit Date	2020-10-29
Data Type	Dataset
Data Source	Zenodo (CERN European Organization for Nuclear Research)

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