The development of statistical and mathematical algorithms for processing data in protein crystallography is a fundamental area of research in structural biology. All the existing computer programs used in the field are based on statistics and mathematics which have been implemented in algorithms and, ultimately, computer software. All these programs have been designed to help researchers in structural biology to process data they have collected with a specific technique and to turn these data in a 3D structure of the biological molecule of interest.
My specific research niche has been in the development of processing methods for data from multiple crystals. If a good-quality crystal is available, this is normally used to collect a complete data set. Quite often, though, individual crystals are rapidly damaged by the intensely energetic x-ray beams, and stop providing data before a full collection has been reached. In such cases data from different crystals can be collated in a statistical sensible way to provide a complete data set. In collaboration with Gwyndaf Evans I have written BLEND, a computer program for data handling and processing of data from multiple crystals. The program is available from within the CCP4 suite of programs for crystallography.
I am very interested in applying statistics to structural biology. I develop methods and programs using the very powerful and popular R platform for statistical computing. In collaboration with David Waterman I have created the first R package for crystallography, calle "cRy".
As a member of the Membrane Protein Laboratory, I support users both in data collection and data processing. I also interact with beamline scientists and Diamond staff in general both from a scientific point of view and in providing support for users activities.