Over 100,000 images and TB of data are generated from XFEL experiments containing diffraction patterns of crystals which are randomly orientated. Analysing this data can be challenging as new software is currently been developed to deal with the data. Different areas of XFEL science (nanocrystallography, single molecule imaging and Molecular movies) require specialised programs to analyse the data. We have experts in our groups, specialising in all three areas to help with data analysis.

Nanocrystallography, unlike conventional crystallography, requires serial crystallography programs to initially sort and index the data and convert to file formats suitable for structure refinement. This requires the use of programs such as Cheetah and CrystFEL.

Single molecule imaging is also at its infancy and early discovery stages and a lot of data analysis efforts are being combined to help solve structures. We have invested team members in this aspect of XFEL science who is part of the single particle imaging initiative (SPI). This initiative is a collective number of international leading scientists and our group is the only Australian participant.

Molecular movies have the added advantage of looking at reaction time scales in the pico-second time scales. Vast amount of data is generated to capture the complete reaction which has to be sorted base on time and orientation. This also requires a unique set of data analysis programs which are able to input the data and sort and classify it.

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