MS-058: Best practices for X-ray, neutron and electron data processing and reuse

Co-Chairs: Aaron Brewster & Christine Beavers

Sponsoring Commission: CommDat

Co-Sponsoring Commission: Electron Crystallography

Data collection volume and velocity have increased dramatically in the past 5-10 years. High-throughput, serial, and electron crystallography are examples of techniques that not only produce large volumes of data and results rapidly but also challenge traditional notions of quality and definitive outcomes. These challenges with data processing and analysis relate both to “keeping up” and to generating the best possible quality results and determining their suitability for specific applications. Knock-on consequences also arise for data reuse and data-driven science, with potential impacts on database population, variability in results, and questions of suitability for follow-on work such as training AI models. Driven by practical examples and evolving best practices, this general-interest microsymposium will address the current data challenges, ranging from raw data processing through refinement, quality assessment, raw data archiving and reuse, to validity in data science.