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About CrystFEL

Welcome to the CrystFEL page!

CrystFEL is a suite of programs for processing diffraction data acquired "serially" in a "snapshot" manner, such as when using the technique of Serial Femtosecond Crystallography (SFX) with a free-electron laser source. CrystFEL comprises programs for indexing and integrating diffraction patterns, scaling and merging intensities, simulating patterns, calculating figures of merit for the data and visualising the results. Supporting scripts are provided to help at all stages, including importing data into CCP4 for further processing.

To begin learning about CrystFEL in more detail, start here.

The primary citation for CrystFEL is as follows. See the list at the end of this page for more references.

T. A. White, R. A. Kirian, A. V. Martin, A. Aquila, K. Nass, A. Barty and H. N. Chapman. "CrystFEL: a software suite for snapshot serial crystallography". J. Appl. Cryst. 45 (2012), p335–341.
doi:10.1107/S0021889812002312Download PDFArticle on IUCr website.

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Acknowledgements

The development of CrystFEL is led by Thomas White at the Center for Free-Electron Laser Science at the Deutsches Elektronen-Synchrotron, DESY in Hamburg, Germany. DESY is a research centre of the Helmholtz Gemeinschaft. See the contact page for more contact details.

Code has been contributed to CrystFEL by: Rick Kirian, Andrew Aquila, Andrew Martin, Lorenzo Galli, Kenneth Beyerlein, Chun Hong Yoon, Nadia Zatsepin, Cornelius Gati, Anton Barty, Fedor Chervinskii, Aleksandra Tolstikova, Wolfgang Brehm, Valerio Mariani and Takanori Nakane. It has been thoroughly tested by Karol Nass, Francesco Stellato, Linda Johannson, David Arnlund, Mark Hunter and many others. The design of CrystFEL and its algorithms has been influenced by Henry Chapman, Petra Fromme, James Holton and John Spence.

Development of CrystFEL is primarily funded by the Helmholtz Association via programme-oriented funds.

Additional funding for CrystFEL is provided by "X-Probe", a project of the European Union's 2020 Research and Innovation Program Under the Marie Skłodowska-Curie grant agreement 637295 (2015-2018).

Additional funding for CrystFEL is provided by the BMBF German-Russian Cooperation "SyncFELMed", grant 05K14CHA (2014-2017).

Past funding for CrystFEL has been received from BioStruct-X, a project funded by the Seventh Framework Programme (FP7) of the European Commission.

Useful references

Here are some papers describing CrystFEL or its algorithms: