Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis

Autor: Claudio Roscioli, C. Soulier, Marja H. Lamoree, Bernard Bajema, Griet Jacobs, R. Moilleron, Aurélie Fildier, Gianluca Coppola, Pavla Fialová, Julien Le Roux, Cecile Miege, Bastian Schulze, Lubertus Bijlsma, Martijn Pijnappels, Tim Jonkers, Saer Samanipour, Sapia Murgolo, Roman Grabic, Frank Menger, Robert B. Young, Emmanuelle Mebold, Emmanuelle Vulliet, Massimo Peruzzo, Juliane Hollender, Teresa Mairinger, Christelle Margoum, Sylvain Merel, Sarit Kaserzon, Giuseppe Mascolo, Nikolaos S. Thomaidis, Branislav Vrana, Pablo Gago-Ferrero, Ian Allan, Reza Aalizadeh, Denice van Herwerden, Jeroen Meijer, Sara Valsecchi, Nestor Etxebarria, Malcolm J. Reid, Thorsten Klaus Otto Gravert, Florian Dubocq, Martin Ejnar Hansen, Nina Huynh, Emil Frøkjær
Přispěvatelé: HIMS Other Research (FNWI), University of Queensland [Brisbane], University of Amsterdam [Amsterdam] (UvA), Norwegian Institute for Water Research (NIVA), Universitat Jaume I, University of the Basque Country/Euskal Herriko Unibertsitatea (UPV/EHU), Aarhus University [Aarhus], Riverly (Riverly), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Research Centre for Toxic Compounds in the Environment [Brno] (RECETOX / MUNI), Faculty of Science [Brno] (SCI / MUNI), Masaryk University [Brno] (MUNI)-Masaryk University [Brno] (MUNI), National and Kapodistrian University of Athens (NKUA), Vitens NV, Örebro University, Eurolab Srl, TRACES - Technologie et Recherche en Analyse Chimique pour l'Environnement et la Santé, Institut des Sciences Analytiques (ISA), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), UNIVERSITY OF SOUTH BOHEMIA CESKE BUDEJOVICE CZE, Partenaires IRSTEA, Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA)-Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA), Instituto Catalán de Investigación del Agua - ICRA (SPAIN) (ICRA), Swiss Federal Insitute of Aquatic Science and Technology [Dübendorf] (EAWAG), École des Ponts ParisTech (ENPC), Flemish Institute for Technological Research (VITO), Vrije Universiteit Amsterdam [Amsterdam] (VU), Laboratoire Eau Environnement et Systèmes Urbains (LEESU), École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12), Universität für Bodenkultur Wien = University of Natural Resources and Life [Vienne, Autriche] (BOKU), Istituto di Ricerca Sulle Acque, Università degli studi di Bari Aldo Moro = University of Bari Aldo Moro (UNIBA), Enveloppes fluides : de la ville à l'exobiologie (EFLUVE (UMS_3563)), Institut national des sciences de l'Univers (INSU - CNRS)-École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Swedish University of Agricultural Sciences (SLU), Rijkswaterstaat [Delft], INSTITUTO DI RICERCA SULLE ACQUE ITA, Bureau de Recherches Géologiques et Minières (BRGM) (BRGM), Colorado State University [Fort Collins] (CSU), NORMAN network, Danish Environmental Protection Agency : MST-667-00207, Aarhus University Research Foundation : AUFF-T-2017-FLS-7-4, University of the Basque Country [Bizkaia] (UPV/EHU), Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), University of Natural Resources and Life Sciences (BOKU), Università degli studi di Bari Aldo Moro (UNIBA), Institut national des sciences de l'Univers (INSU - CNRS)-École des Ponts ParisTech (ENPC)-Université Paris-Est Créteil Val-de-Marne - Paris 12 (UPEC UP12)-Centre National de la Recherche Scientifique (CNRS)-Université de Paris (UP), E&H: Environmental Chemistry and Toxicology, AIMMS
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Statistics and Probability
Data Descriptor
Computer science
Science
010501 environmental sciences
Library and Information Sciences
computer.software_genre
01 natural sciences
Education
Workflow
Set (abstract data type)
spectrometry
Non target
Resource (project management)
[CHIM.ANAL]Chemical Sciences/Analytical chemistry
0105 earth and related environmental sciences
Mass spectrometry
[SDE.IE]Environmental Sciences/Environmental Engineering
Drinking Water
010401 analytical chemistry
Quality control
Environmental monitoring
6. Clean water
0104 chemical sciences
Computer Science Applications
Benchmarking
Benchmark (computing)
Computer-aided
mass
Data mining
COLLABORATIVE TRIAL
POLLUTANTS
IDENTIFICATION
CONTAMINANTS
ENVIRONMENT
MIXTURES
PLATFORM
SUSPECT
Statistics
Probability and Uncertainty
SDG 6 - Clean Water and Sanitation
Laboratories
computer
Algorithms
Passive sampling
Information Systems
Zdroj: Scientific Data, 8:223. Nature Publishing Group
Schulze, B, van Herwerden, D, Allan, I, Bijlsma, L, Etxebarria, N, Hansen, M, Merel, S, Vrana, B, Aalizadeh, R, Bajema, B, Dubocq, F, Coppola, G, Fildier, A, Fialová, P, Frøkjær, E, Grabic, R, Gago-Ferrero, P, Gravert, T, Hollender, J, Huynh, N, Jacobs, G, Jonkers, T, Kaserzon, S, Lamoree, M, Le Roux, J, Mairinger, T, Margoum, C, Mascolo, G, Mebold, E, Menger, F, Miège, C, Meijer, J, Moilleron, R, Murgolo, S, Peruzzo, M, Pijnappels, M, Reid, M, Roscioli, C, Soulier, C, Valsecchi, S, Thomaidis, N, Vulliet, E, Young, R & Samanipour, S 2021, ' Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis ', Scientific Data, vol. 8, no. 1, 223 . https://doi.org/10.1038/s41597-021-01002-w
Scientific Data
Scientific Data, Nature Publishing Group, 2021, 8 (1), pp.223. ⟨10.1038/s41597-021-01002-w⟩
Scientific Data, Vol 8, Iss 1, Pp 1-10 (2021)
Repositori Universitat Jaume I
Universitat Jaume I
Scientific Data, 8(1):223, 1-10. Nature Publishing Group
Schulze, B, van Herwerden, D, Allan, I, Bijlsma, L, Etxebarria, N, Hansen, M, Merel, S, Vrana, B, Aalizadeh, R, Bajema, B, Dubocq, F, Coppola, G, Fildier, A, Fialová, P, Frøkjær, E, Grabic, R, Gago-Ferrero, P, Gravert, T, Hollender, J, Huynh, N, Jacobs, G, Jonkers, T, Kaserzon, S, Lamoree, M, Le Roux, J, Mairinger, T, Margoum, C, Mascolo, G, Mebold, E, Menger, F, Miège, C, Meijer, J, Moilleron, R, Murgolo, S, Peruzzo, M, Pijnappels, M, Reid, M, Roscioli, C, Soulier, C, Valsecchi, S, Thomaidis, N, Vulliet, E, Young, R & Samanipour, S 2021, ' Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis ', Scientific Data, vol. 8, no. 1, 223, pp. 1-10 . https://doi.org/10.1038/s41597-021-01002-w
ISSN: 2052-4463
Popis: Non-target analysis (NTA) employing high-resolution mass spectrometry is a commonly applied approach for the detection of novel chemicals of emerging concern in complex environmental samples. NTA typically results in large and information-rich datasets that require computer aided (ideally automated) strategies for their processing and interpretation. Such strategies do however raise the challenge of reproducibility between and within different processing workflows. An effective strategy to mitigate such problems is the implementation of inter-laboratory studies (ILS) with the aim to evaluate different workflows and agree on harmonized/standardized quality control procedures. Here we present the data generated during such an ILS. This study was organized through the Norman Network and included 21 participants from 11 countries. A set of samples based on the passive sampling of drinking water pre and post treatment was shipped to all the participating laboratories for analysis, using one pre-defined method and one locally (i.e. in-house) developed method. The data generated represents a valuable resource (i.e. benchmark) for future developments of algorithms and workflows for NTA experiments.
Measurement(s)chemical • drinking waterTechnology Type(s)high resolution mass spectrometry • non-target analysis • InterlaboratoryFactor Type(s)methodSample Characteristic - Environmentlaboratory environment Machine-accessible metadata file describing the reported data: 10.6084/m9.figshare.15028665
Databáze: OpenAIRE
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