PSDI Updates: March 2024

Home » PSDI Updates: March 2024

Mar 28, 2024

In this Newsletter: Upcoming Webinars | Recent Publications

Upcoming Webinars

TODAY! Sample tracking in Ampletracks

You can still sign up for today’s webinar (28th March 2024 at 1pm GMT) – “Sample Tracking with Ampletracks”. This webinar, presented by Stavrina Dimosthenous (Henry Royce Institute) and Ben Jefferson, continues the PSDI webinar series and in this webinar representatives from PSDI Partner the Henry Royce Institute present their Ampletracks sample tracking system.

More information and registration here:

Ampletracks is a configurable web-app built, originally, for sample tracking in and out of laboratory environments. In this talk, we will discuss Ampletracks in brief, and why and how we built Ampletracks. We will demonstrate Ampletracks implemented for a materials science audience. We will demonstrate the ‘User’ workflow, and Ampletracks features across the multiple ways to register a sample record, and intrinsic (like record type) and extrinsic (unlike record type) relationships between records. We will then demonstrate how to set different permission profiles for users, and ‘superuser’ permissions. To finish, we will briefly discuss other domains to apply Ampletracks, and how we use Ampletracks to track the development of Ampletracks.

Using the Galaxy Platform in Large Scale Experiments

Registration is now open for our April webinar ‘Using the Galaxy Platform in Large Scale Experiments’. The webinar is on 25th April 2024 at 2pm BST. The subject of this webinar is our work in pathfinder 7 and will discuss how their software helps in workflows containing large data sets generated by simulations and experiments at national facilities. This webinar will be presented by Leandro Liborio from STFC, Harwell

More information and registration here:

The post-processing of experimental and simulation data, associated to large scale experiments performed at national facilities, requires that different software tools from various domains are connected into workflows. These workflows can be quite complex and, in this webinar, I will present the web-based, open-source, Galaxy platform and show how we use it to manage the software tools and data associated to these workflows. Galaxy is a platform for FAIR data analysis that enable users to: run code in interactive environments; share and publish results, workflows and their associated visualizations; and ensure the reproducibility of their results by capturing and packaging data, metadata and provenance models required for repeating and understanding their data analyses. In this talk, I will present examples of applications of the Galaxy platform for managing software tools and data associated to muon science and catalysis experiments.

Recent Publications

You can find a collection of publications and presentations in the PSDI community on zenodo Recent additions include:

FlavourTalk 2024

Professor Jeremy Frey presented a Keynote talk at the FlavourTalk 2024 Conference – “Will an AI win the next Chemistry Nobel Prize and replace us?”. In this presentation Professor Frey presents some of the technological advances that have impacted science over the last century and discusses how these might change research and development in the near future.

The slides are available on zenodo:

CS3 2024

Members of the PSDI technology team (Jonathan Bathe and Vasily Bunakov) presented recently in CS3 2024. This was the Cloud Storage Synchronisation and Sharing conference which took place in CERN on 11–13 Mar 2024, a part of CERN’s TechWeek on Storage and Data Technologies.

News post: and the slides are available on zenodo:

The Development of the Chemists Notebook

Samantha Pearman-Kanza gave a talk, “Electronic Lab Notebooks and Beyond! The evolution of process recording tools for scientific research”, at “The Development of the Chemist’s Notebook”, at The Royal Society of Chemistry – Historical Group event which was held at Burlington House.

News post: and the slides are available on zenodo: