Dose aware data collection on the variable and microfocus macromolecular crystallography beamline I04 at Diamond Light Source

Abstract Optimal data collection in macromolecular crystallography (MX) strongly depends on setting the appropriate data collection parameters which should be guided by the experimental aim and scientific question being asked. While the goal is to maximize signal-to-noise, this must be weighed against the risk of radiation damage to the sample. Due to the diverse optical setups resulting in varying flux with energy and beam size, determining optimal exposure times can be a complex task, particularly for inexperienced users. Here we present the concept and implementation of dose aware data collection, its aim to facilitate the choice of data collection parameters for MX experiments and how transformative this approach is particularly for a beamline where changing beam size is standard operation and regularly used down to microfocus level.