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  2. Chemotion Repository - Data collection: mass spectrometry data
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    Datenpaket: Chemotion Repository - Data collection: mass spectrometry data

    Alternativer Identifier:
    -
    Verwandter Identifier:
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    Ersteller/in:
    Bräse, Stefan https://orcid.org/0000-0003-4845-3191 [Karlsruhe Institute of Technology]

    Jung, Nicole https://orcid.org/0000-0001-9513-2468 [Jung, Nicole]

    Huang, Pei-Chi https://orcid.org/0000-0002-9976-4507 [Huang, Pei-Chi]

    Lin, Chia-Lin https://orcid.org/0000-0002-9772-0455 [Lin, Chia-Lin]
    Beitragende:
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    Titel:
    Chemotion Repository - Data collection: mass spectrometry data
    Weitere Titel:
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    Beschreibung:
    (Abstract) This collection contains mass spectrometry data that were collected in the research data repository Chemotion from 2019-2023. The scientists who contributed to this collection are given as additional information (-> Other) to this dataset. The dataset was collected to enable the systematic re-use of...
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    (Method) The dataset was gained as a subset of information from Chemotion repository after (1) filtering for mass spectrometry data with a precision of 0.001 Da, and (2) removal of duplicates
    (Other) The collection was gained from contributions of the following scientists: Alexander B. Braun, André Jung, Angela Wandler, Arnaud Westeel, Chloé Liagre, Christoph Zippel, Cornelia Mattern, Daniel Knoll, Danny Wagner, Eduard Spuling, Florian Mohr, Georg Manolikakes, Hannes Kühner, Harald Kelm, Helena...
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    (Technical Info) The provided zip folder includes 599 datasets including at least one *.jdx file each and one metadata file "msei_final" with metadata describing the 599 datasets
    (Technical Info) The metadata file "msei_final" contains the following metadata per dataset: sample_id, molfile, ontology term, analysis_id, instruments, authors, content, molfile_id
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    Schlagworte:
    mass spectrometry
    analytical chemistry
    Chemotion repository
    Zugehörige Informationen:
    (Reference to Chemotion repository) https://chemotion-repository.net/
    Sprache:
    -
    Herausgeber/in:
    Karlsruhe Institute of Technology (KIT)
    Erstellungsjahr:
    Fachgebiet:
    Chemistry
    Objekttyp:
    (Collection) Collection of measurement data - mass spectrometry data
    Datenquelle:
    (Other) Chemotion Repository
    Verwendete Software:
    Software für Datenerhebung
    Software:
    Chemotion Repository - v1.0-v1.2
    Alternative Software:
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    Verwendete Software:
    Software für Datenbetrachtung
    Software:
    ChemSpectra - v0.9-v0.12
    Alternative Software:
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    Datenverarbeitung:
    -
    Erscheinungsjahr:
    Rechteinhaber/in:
    Karlsruhe Institute of Technology (KIT)
    Förderung:
    German Research Foundation (DFG) - (NFDI4Chem)(441958208)
    Ministry of Science, Research and Arts Baden-Württemberg - (Science Data Center MoMaF)
    Name Speichervolumen Metadaten Upload Aktion
    Status:
    Publiziert
    Eingestellt von:
    4ec1dc4999facd5756ede6023e5c0564
    Erstellt am:
    Archivierungsdatum:
    2023-09-28
    Archivgröße:
    83,1 MB
    Archiversteller:
    4ec1dc4999facd5756ede6023e5c0564
    Archiv-Prüfsumme:
    7969a1bae6f010cbf88311f6737db263 (MD5)
    Embargo-Zeitraum:
    -