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2021-08-24 21:14:11
www-nature-com.ezproxy.u-pec.fr
2021 The Author(s)
Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis
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.
223
10.1038/s41597-021-01002-w
https://www.nature.com/articles/s41597-021-01002-w
en
Bandiera_abtest: a
Cc_license_type: cc_publicdomain
Cg_type: Nature Research Journals
Number: 1
Primary_atype: Research
Subject_term: Environmental monitoring;Mass spectrometry
Subject_term_id: environmental-monitoring;mass-spectrometry
2021-08-24
8
1
Scientific Data
Nature Publishing Group
Sci Data
2052-4463
Bastian
Schulze
Denice
van Herwerden
IanAllan
Lubertus
Bijlsma
Nestor
Etxebarria
MartinHansen
SylvainMerel
Branislav
Vrana
RezaAalizadeh
BernardBajema
FlorianDubocq
Gianluca
Coppola
Aurélie
Fildier
PavlaFialová
EmilFrøkjær
RomanGrabic
Pablo
Gago-Ferrero
Thorsten
Gravert
Juliane
Hollender
NinaHuynh
GrietJacobs
TimJonkers
SaritKaserzon
MarjaLamoree
JulienLe Roux
Teresa
Mairinger
Christelle
Margoum
Giuseppe
Mascolo
Emmanuelle
Mebold
FrankMenger
CécileMiège
JeroenMeijer
Régis
Moilleron
SapiaMurgolo
Massimo
Peruzzo
Martijn
Pijnappels
MalcolmReid
Claudio
Roscioli
Coralie
Soulier
SaraValsecchi
Nikolaos
Thomaidis
Emmanuelle
Vulliet
RobertYoung
Saer
Samanipour