Data management for chemistry

NFDI4Chem provides chemistry-specific DMP template

Data management plansExternal link support the planning, organization, long-term preservation and faster (re)retrieval of research data. A well-structured data management plan describes how data is collected, organized, secured, documented and finally made accessible. DMPs are also becoming increasingly important in chemistry, as they are requirements of many funding organizations (e.g. DFG, European Commission) and the handling of data is becoming ever more complex due to constantly increasing data volumes.

NFDI4Chem has now created a free DMP templateExternal link within the Research Data Management Organizer (RDMO) that can be used by everyone and has been optimized for the special requirements of chemists. It is based on the DFG checklist. The template is enriched with help texts and answer options and can thus also convey a feeling for what current standards and methods in chemistry are. The chemistry template is also available as PDF and word document on zenodo (https://doi.org/10.5281/zenodo.10948510External link).

A specific template for chemistry

Chemical research has specific requirements that need to be considered in a data management plan. Chemistry data often includes experimental results ranging from spectra and reaction mechanisms to large amounts of data from simulations and calculations.

The DMP template for chemistry offers solutions for all areas of chemistry:

• Consideration of chemistry-specific data types: our template includes questions and categories tailored to chemical data, such as spectroscopy data, structural information, reaction conditions and calculation results.
• Specific metadata requirements: Chemical datasets require specific metadata that includes information about, for example, chemicals used, laboratory conditions and precise measurement methods.
• Integration of standard formats and ontologies: Chemical research has specific data formats and ontologies that are not considered in a generic DMP template. Our template ensures that the correct formats and standards are used, which increases data exchange and reusability.
• Integration of physical samples: Our template not only refers to the data but also addresses the management of physical samples. These are often part of the data, so it is important for us to establish this connection and map it in our template.
• Facilitating data exchange: Our template points to standardized formats and interfaces that facilitate the exchange of chemical data between different platforms and researchers. This not only improves the accessibility of data, but also its long-term usability.

About the Research Data Management Organizer (RDMO)

The Research Data Management Organizer (RDMO) is a tool designed to assist researchers in creating and managing their data management plans. It provides a platform where plans can be created, maintained and shared with others.

RDMO allows researchers to document changes to their DMP and save versions, as requirements and circumstances often change over the course of a research project. And because RDMO works as a web-based platform, the DMP can be viewed and edited by different project members, even external consultants or funders can be integrated.

In RDMO, you also have the option of using various templates. NFDI4Chem offers:

• Chemistry-specific DMP template (based on DFG checklist)
• Horizon Europe template (European Commission)
• Software Management Plan template
• Questionnaire for the creation of a research data policy for research projects

Links:

The chemistry template at RDMO https://rdmo.nfdi4chem.de/External link

The chemistry template as PDF https://doi.org/10.5281/zenodo.10948510External link

Data management plan in the knowledge base https://knowledgebase.nfdi4chem.de/knowledge_base/de/docs/dmp/External link

References:

Hausen, D. A., & Andres, A.-C. (2024). Chemistry-specific Data Management Plan Template based on DFG checklist. Zenodo. DOI: https://doi.org/10.5281/zenodo.10948510External link

Hausen, D.A., Andres, A-C, Ortmeyer, J. and Herres-Pawlis, S. 2024. Road to a Chemistry- Specific Data Management Plan. Data Science Journal, 23: 21, pp. 1-10. DOI: https://doi. org/10.5334/dsj-2024-021External link