Serial femtosecond crystallography experiment simulation

PANOSC - Photon and Neutron Science - Photon and Neutron Science
Partners:
European XFEL

The use case shows how, by simulation with SimEx, one can predict the possible effects of the complications to help improve and validate the data analysis workflow. 

SimEX in PaNOSC repository

Technical Challenge
Serial femtosecond crystallography is a powerful tool to resolve the structure of mesoscopic crystals, especially for small proteins. However, there are many complications, such as the pixel noise, unfunctional detector tiles and X-ray fluctuation, affecting the success of the experiment.

The SimEx API in ViNYL package supported by PaNOSC

The use case provides a tool for the users to validate their data analysis methodologies.

Implementation is possible also for other SFX experiments.