Hello and welcome back to this weekly overview of news in research data management in natural science. There are just a few news updates, but many interesting uploads to Zenodo. So let us directly dive into it.

MaRDI – Newsletter is out

The Math&Data Quarterly newsletter of MaRDI is out, where you can read about the highlights of the past few months. It is too much to be covered in this news digest, but I think we will take a look at it in an extra video or stream on YouTube. You can find the newsletter here. Please let me know in the comments, if you would be interested in exploring the newsletter in a stream together.

NFDI4Chem – Chemotion Repository 2.0.0

Already in January, the Chemotion Repository got updated to a new version. Now NFDI4Chem is highlighting some of the improvements and new features in a short report, which you can find here. There is quite some improvement on handling metadata, the Chemotion Repository API as well as the ability to search the repository for specific structures or chemical methods. It is also worth checking out the full release notes on GitHub.

PSDI – The Development of the Chemists Notebook

PSDI is informing about a talk by Dr Samantha Pearman-Kanza on the topic of the electronic lab notebooks, which was given during the Royal Society of Chemistry – Historical Group Meeting “The Development of the Chemist’s Notebook”. You can read the news to the talk here. They also uploaded the slides from the presentation to Zenodo, I recommend checking them out if you are looking for information about electronic lab notebooks. It is a great collection and I think there is a lot of stuff in there, that can be useful to be reused (https://doi.org/10.5281/zenodo.10818946).

Uploads to Zendo

That is already it on the news overview, but as I already mentioned, there were quite some uploads to Zenodo this week. So let us take a look.

DAPHNE4NFDI

DAPHNE4NFDI uploaded a poster as well as a presentation regarding electronic lab notebooks in the field of photon science. In their evaluation of different electronic lab notebooks, they focus on how well these can be introduced in large-scale facilities. If you are interested in learning more about ELNs usage in this field, it is definitely worth checking it out. I endorse their statement that, about selecting one ELN for your work: Detailed evaluation and discussion is key to a successful introduction.

Electronic Laboratory Notebooks (ELN) for Photon Science: Overview and Evaluation of existing and upcoming Solutions
https://doi.org/10.5281/zenodo.10817141

Electronic Laboratory Notebooks for FAIR Data Management – Evaluation and Recommendations for Solutions at Research Infrastructures
https://doi.org/10.5281/zenodo.10817031

FAIRmat

FAIRmat uploaded a presentation about NOMAD and how to use the software to document molecular dynamics simulations. The documentation of these kinds of experiments in other software can often be difficult, but FAIRmat offers a suitable solution. If you work with this kind of data, then it is definitely worth checking out NOMAD as well as NOMAD Oasis. Also very interesting is the second upload. It is a Guide to Legal Aspects in Research Data Management. It is known that there are still some open questions about the legal aspects of research data, but this document can function as a good starting point if you have questions about licences, copyright and more. I think that this is a good resource for researchers as well as RDM professionals.

FAIR Data Management for Soft Matter Simulations using NOMAD
https://doi.org/10.5281/zenodo.10842656

FAIRmat Guide to Legal Aspects in Research Data Management
https://doi.org/10.5281/zenodo.10837825

NFDI4Cat

A few weeks ago we already got some information from NFDI4Cat about Voc4Cat, the vocabulary for catalysis and related fields (you can check the new digest from week 7). Now they uploaded a poster as well as a presentation to Zenodo. There you can find more information and insides about the project. You can also find a step-by-step guide on how to contribute to Voc4Cat.

A community-aimed development of a catalysis-related vocabulary: tools and researcher benefits from FAIR publishing
https://doi.org/10.5281/zenodo.10831312

Voc4Cat: A community-aimed development of a catalysis-related vocabulary.
https://doi.org/10.5281/zenodo.10832772

Voc4Cat.

NFDI4Chem

Together with the NFDI consortia FAIRagro and NFDI4DataScience, NFDI4Chem published a presentation from an NFDI infratalk. NFDI4Chem is reporting here about SchemasOrg, with what kind of metadata they are dealing within chemistry and how it is used, as well as plans and perspectives.

SchemaOrg and JSON-LD for Rich Metadata Integration in the NFDI
https://doi.org/10.5281/zenodo.10830175

Outro

I think, this could be the longest News Digest yet. It is great to see that a lot is happening in the field of natural science. It is also very obvious, that electronic lab notebooks are getting more and more important and many people are looking for good solutions for their research data documentation. I think in the future it will be more and more important to work on the interoperability of different ELN solutions. To offer researcher the maximum flexibly, specially for cooperations from different fields.

In case you are reading this today, March 22nd, just a brief reminder, that today at 2 pm, I will be a guest at the NFDI4Chem Stammtisch, and I will talk about gamification in ELN teaching and The Chemotion Files.

So that is it for today and, like always: Until next time, and thanks for reading.