Galaxy workflow tools for processing and analysis of catalysis data (Flash Pitch)

I want to introduce you to a groundbreaking initiative that will revolutionize the way we process and analyze catalysis data in the Physical Sciences. Our project is all about developing user-friendly and efficient tools to handle the increasing volume of data generated by advanced material characterization instruments.

With the continuous improvement in instruments, we're obtaining more detailed and accurate data than ever before. This is fantastic for research, but it comes with a challenge - how do we process and analyze this data rapidly and effectively? Our existing tools are often designed for smaller datasets, and they don't scale well to handle the data deluge.

We've been working to address this challenge. We started by testing various alternatives, including Galaxy, a powerful platform that offers a graphic user interface online. Galaxy doesn't require installation and is incredibly user-friendly. We recreated our workflows using Galaxy, and it yielded processing speeds comparable to our previous tools.

We're adding tools to Galaxy that allow users to customize their workflows. You can define stop conditions for long-running workflows and choose different analysis pathways for your data, like XANES and Linear combination fitting. We're even working on a tool to help find the best matching scattering paths from different crystal structures.

Recently, We've joined with research groups using the Diamond XAS beamline, collaborating under the BAG program. We're ensuring these tools can be customized and deployed to cater to different research projects.

This project is about more than just speeding up data processing. It's about flexibility and adaptability. Galaxy allows us to share workflows, port them to other platforms, and create FAIR data objects. This means your research becomes more accessible and your findings more impactful. Looking ahead, we want to expand our support to other characterisation techniques, such as neutron spectroscopy, Raman spectroscopy, and pair distribution function analysis.

But we're not just here to share what we've done; we're eager to collaborate with you on the further exploration of these kinds of tools and their use in advancing catalysis research. We're particularly interested in hearing about similar NFDI approaches in this area and looking for potential collaborations and exchange of ideas.