@article{2978773,
    title = "Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis",
    author = "Schulze, B. and van Herwerden, D. and Allan, I. and Bijlsma, L. and Etxebarria, N. and Hansen, M. and Merel, S. and Vrana, B. and Aalizadeh, R. and Bajema, B. and Dubocq, F. and Coppola, G. and Fildier, A. and Fialová, P. and Frøkjær, E. and Grabic, R. and Gago-Ferrero, P. and Gravert, T. and Hollender, J. and Huynh, N. and Jacobs, G. and Jonkers, T. and Kaserzon, S. and Lamoree, M. and Le Roux, J. and Mairinger, T. and Margoum, C. and Mascolo, G. and Mebold, E. and Menger, F. and Miège, C. and Meijer, J. and Moilleron, R. and Murgolo, S. and Peruzzo, M. and Pijnappels, M. and Reid, M. and Roscioli, C. and Soulier, C. and Valsecchi, S. and Thomaidis, N. and Vulliet, E. and Young, R. and Samanipour, S.",
    journal = "Scientific Data",
    year = "2021",
    volume = "8",
    number = "1",
    publisher = "Institute of Geographic Sciences and Natural Resources Research",
    doi = "10.1038/s41597-021-01002-w",
    keywords = "drinking water, algorithm;  benchmarking;  laboratory;  mass spectrometry;  workflow, Algorithms;  Benchmarking;  Drinking Water;  Laboratories;  Mass Spectrometry;  Workflow",
    abstract = "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. © 2021, The Author(s)."
}