Dataset Open Access

Simulated Photon-Matter interaction of 3fs 4.96 keV European XFEL pulses with 2NIP

Carsten Fortmann-Grote

Researcher(s)
Zoltan Jurek

Simulated photon-matter interaction trajectories for x-ray pulses fromĀ  SASE1 beamline at European XFEL with a protein (pdb entry 2NIP).

Input: https://dx.doi.org/10.5281/zenodo.884873 (WPG coherent wavefront propagation)

Simulation Code: The PMI simulation was run with the code XMDYN, x-ray cross sections and transitions rates were calculated with XATOM. Both codes are developed at Center for Free Electron Laser Science, Theory Division, DESY, Hamburg, Germany.

Files (36.4 GB)
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  • https://dx.doi.org/10.1107/S2052252517009496

  • https://dx.doi.org/10.5281/zenodo.884873

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