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8.9 MB

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2022-06-24

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Chemotion & Research Data Infrastructure NFDI4Chem

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Elektronische Laborjournale (ELNs) sind eines der wichtigsten Werkzeuge der Forschenden, die es ermöglichen, Ihre Forschungsdaten nach den FAIR-Prinzipien (Findable, Accessible, Interoperable, Reusable) zu veröffentlichen. Das Open-Source ELN Chemotion sowie das angebundene Chemotion Repositorium, welche kontinuierlich durch das Konsortium NFDI4Chem im Rahmen der NFDI (Nationalen Forschungsdateninfrastruktur) weiterentwickelt werden, sind besonders auf die Umsetzung der FAIR-Prinzipien ausgelegt.

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URL: https://doi.org/10.5281/zenodo.6985033Communities:

Target Groups:

Bachelor Student

Proficiency Levels:

Novice

Supporting Sustainability of Chemistry by Linking Research Data with Physically Preserved Research MaterialsResults of scientific work in chemistry can usually be obtained in the form of materials and data. A big step towards transparency and reproducibility of the scientific work can be gained if scientists publish their data in a FAIR (Findable, Accessible, Interoperable, Reusable) manner in research data repositories. Nevertheless, in order to make chemistry as a discipline sustainable, obtaining FAIR data is insufficient and a comprehensive concept including the preservation of materials is needed. We describe in this article how we combined two infrastructures, a repository for research data (Chemotion repository) and an archive for chemical compounds (Molecule Archive), in order to offer a comprehensive infrastructure to find and access data and materials that were generated in chemistry projects. Samples play a key role in this concept: we describe how FAIR metadata of a virtual sample representation can be used to refer to the physically available sample stored in a materials’ archive and to link FAIR research data gained with the sample. We further describe the measures to make the physically available samples not only FAIR through the sample’s metadata but also accessible and reusable in the form of their material for others.

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Article

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PDF

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English

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Text

Publication Date

2023-07-04

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1.1 MB

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Keywords

#repository #reproducibility #transparency #FAIR data #cheminformatics #archive #digital object #open access #sustainability

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FAIR Research Data Management: Basics for ChemistsThe two-day interactive workshop "FAIR Research Data Management: Basics for Chemists" was and is offered both as an online workshop and as an in_person workshop. In both formats, the present slides were used. The concept integrates theoretical content with practical hands-on activities and discussions to enable participants to get started with a building block of research data management. In the workshop, participants will learn about different tools to help them get started and also to progress. In addition to general content such as the DFG checklist, the building blocks of research data management will be taught in a chemistry-specific way. Participants will learn the basis for FDM with chemistry-specific content. This publication is a set of slides to be used for the workshop and a schedule for the workshop. This can help trainers to plan a workshop. Also included in the table are the learning objectives, which are broken down according to Bloom's taxonomy.

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PPTX, PDF, XLSX

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English

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Presentation

Publication Date

2023-08-16

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66.9 MB

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#research data management #training #chemistry-specific

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NFDI4Chem - Digitising Research Workflows in ChemistryNFDI4Chem Vortrag von Dr. Nicole Jung und Dr. John Jolliffe über die Digitalisierung chemischer Forschungsarbeiten, vorgetragen bei den HeFDI Data Talks 2021.

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PDF

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English

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Presentation

Publication Date

2021-12-07

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18 MB

Authors

Nicole Jung

| John Jolliffe

| Nicole Jung

| John Jolliffe

Keywords

#NFDI #Forschungsdatenmanagement #NFDI4Chem #HeFDI #chemistry #HeFDI Data Talks #HeFDI Data Talks 2021 #Hessische Forschungsdateninfrastrukturen #workflow

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HeFDI Data Talk: Chemotion - An Introduction to an Open-Source ELN for FAIR DataElectronic Lab Notebooks (ELNs) are a key prerequisite to a comprehensive documentation of research processes, the digital storage of research data, and their reuse. ELNs can be used to plan, record, store and - in combination with repositories - disclose experiments or research data. In the long run, the benefit of ELNs is the option to store and manage data in a standardized way and to enrich the data with (automatically generated) information such as metadata, identifiers and descriptors. For scientists, ELNs offer advantages such as faster research processes and a faster access to information. Selected benefits of the ELN Chemotion - an ELN that was designed for the discipline Chemistry - will be presented to show exemplarily the use of research data management tools. The ELN offers special features for chemical work and includes diverse functions that allow the use of the ELN also in other disciplines. Both, the chemistry specific as well as the generic and adaptable modules will be presented in brief. Chemotion ELN can be used in combination with the open access repository Chemotion. The disclosure of research data to the public is possible by a direct transfer of information from the ELN to the repository. The interoperable systems ELN and repository guarantee on the one hand an easy process for the disclosure of information and on the other hand the availability of comprehensive data including primary data and descriptions. The systems Chemotion ELN and Chemotion Repository are part of the strategy of the National Research Data Infrastructure for Chemistry (NFDI4Chem) in Germany. Dr. John Jolliffe from NFDI4Chem will present the strategy and measures of NFDI4Chem in brief.

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PDF

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English

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Presentation

Publication Date

2023-05-05

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7.3 MB

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