Enabling compliance with ORD standards for cutting-edge time-resolved experiments at high data-rates
Category
Contribute
Institutions
PSI
Data type
X-rays
Field
X-ray science
Researchers
Filip Leonarski
Description
Time-resolved serial crystallography experiments allow us to visualize how atomic structures of proteins and other macromolecules change during a reaction. The technique provides insight into processes that were not well understood in the past and led to many high-impact studies. Serial crystallography is enabled by new generation large research facilities – 4th generation synchrotrons and X-ray free electron lasers; there are only a few such facilities in the world, with two in Switzerland: SwissFEL and currently built Swiss Light Source 2.0. Specifics of serial crystallography is a high volume of produced experimental data – modern detectors produce data at rates of up to 40 GB/s, and one experiment can produce up to 1 petabyte of data. Handling of such data is challenging. The Contribute ORD project, financed by the ETH Domain and realized at the Paul Scherrer Institute, improved the situation. First, compliance of the experimental data with community metadata standards was improved, making serial crystallography data better accessible to a worldwide user community. Second, it provided proof-of-concept results that even data produced at very high data rates can be on the fly labelled with their scientific quality, allowing researchers to quickly find which part of the collected data is most relevant to answering a research question.