Proposed exploitation of DataCite metadata schema for Chemistry metadata registration

DOI: 10.14469/hpc/5982 Metadata

Created: 2019-07-29 09:48

Last modified: 2020-02-05 08:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

An XML description of chemical metadata in a form suitable for registration with DataCite deriving from raw NMR spectrometer datasets. The metadata highlighted in red is presumed to be derived from a workflow analysis of the raw spectrometer data (identified as file 1 in the metadata). Either the ORE retrieval or the ULR associated with the relationType="HasPart" can be used to directly retrieve the file from which the metadata has been derived. An example of an associated DataCite search which would exploit this declaration could be e.g. https://search.datacite.org/works?query=media.media_type:chemical/x-jcamp-dx+AND+subjects.subjectScheme:NMR+AND+subjects.ValueURI:*c37t.Nucleus+AND+subjects.subject:1H

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Files

FilenameSizeTypeDescription
index.html 6KB text/html Root document, V1.0
Example-metadata_10.14469_hpc_4735.xml 4KB application/xml XML version V 1.0
Example-metadata_10.14469_hpc_4735.xml 7KB application/xml XML version V 2.0 with extended attributes
index.html 8KB text/html Root document, V2.0
index.html 8KB text/html Root document, V 2.1
Example-metadata_10.14469_hpc_4735.xml 7KB application/xml XML version V 2.1 with ROR affiliation
index.html 9KB text/html Root document, V 2.2 with relatedidentifier added for ORE pointer
Example-metadata_10.14469_hpc_4735.xml 7KB application/xml XML Version, V 2.2 with relatedidentifier added for ORE pointer

Member of collection / collaboration

DOIDescription
10.14469/hpc/1088 Data Repository Project

Associated DOIs

Current dataset ...DOIDescription
References 10.1021/acsomega.8b03005 Workflows Allowing Creation of Journal Article Supporting Information and Findable, Accessible, Interoperable, and Reusable (FAIR)-Enabled Publication of Spectroscopic Data
References 10.1186/s13321-017-0190-6 A metadata-driven approach to data repository design
References 10.14469/hpc/5920 Exploiting the DataCite schema and Elastic Search for complex queries

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