Data format standards in analytical chemistry Article Swipe
David Rauh
,
Claudia Blankenburg
,
Tillmann G. Fischer
,
Nicole Jung
,
Stefan Kühn
,
Ulrich Schatzschneider
,
Tobias Schulze
,
Steffen Neumann
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1515/pac-2021-3101
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.1515/pac-2021-3101
Research data is an essential part of research and almost every publication in chemistry. The data itself can be valuable for reuse if sustainably deposited, annotated and archived. Thus, it is important to publish data following the FAIR principles, to make it findable, accessible, interoperable and reusable not only for humans but also in machine-readable form. This also improves transparency and reproducibility of research findings and fosters analytical work with scientific data to generate new insights, being only accessible with manifold and diverse datasets. Research data requires complete and informative metadata and use of open data formats to obtain interoperable data. Generic data formats like AnIML and JCAMP-DX have been used for many applications. Special formats for some analytical methods are already accepted, like mzML for mass spectrometry or nmrML and NMReDATA for NMR spectroscopy data. Other methods still lack common standards for data. Only a joint effort of chemists, instrument and software vendors, publishers and infrastructure maintainers can make sure that the analytical data will be of value in the future. In this review, we describe existing data formats in analytical chemistry and introduce guidelines for the development and use of standardized and open data formats.
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- article
- Language
- en
- Landing Page
- https://doi.org/10.1515/pac-2021-3101
- OA Status
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- Cited By
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- OpenAlex ID
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https://doi.org/10.1515/pac-2021-3101Digital Object Identifier
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Data format standards in analytical chemistryWork title
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articleOpenAlex work type
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enPrimary language
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2022Year of publication
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2022-06-01Full publication date if available
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David Rauh, Claudia Blankenburg, Tillmann G. Fischer, Nicole Jung, Stefan Kühn, Ulrich Schatzschneider, Tobias Schulze, Steffen NeumannList of authors in order
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https://doi.org/10.1515/pac-2021-3101Publisher landing page
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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Interoperability, Metadata, Computer science, Publication, Data science, Reuse, Transparency (behavior), Chemistry, Software, Information retrieval, World Wide Web, Advertising, Biology, Business, Ecology, Computer security, Programming languageTop concepts (fields/topics) attached by OpenAlex
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