This dataset contains diffraction data from the following paper: "Ionization by XFEL radiation produces distinct structure in liquid water" Michal Stransky, Thomas J. Lane, Alexander Gorel, Sébastien Boutet, Ilme Schlichting, Adrian P. Mancuso, Zoltan Jurek, and Beata Ziaja Nature Communications Physics (2024) Absract: Using X-ray free electron laser (XFEL) radiation to conduct an X-ray pump X-ray probe experiment, we studied ionized water as part of our ongoing work on radiation damage. After irradiance with a 7.1 keV pump with a nominal fluence of ~5×10^5 J/cm^2, wide-angle X-ray scattering (WAXS) from the probe reveals a new peak corresponding to ~9 Å structure. This peak appears at a pump-probe delay of approximately 75 fs, and by 100 fs is of comparable magnitude to the ambient water peak, which is attenuated. Simulations suggest that the experiment probes a superposition of ionized water in two regimes. Data: This dataset contains diffraction data in .xtc fileformat (psana). Auxiliary Files: Data has been collected for various timedelays between X-ray-pump and X-ray-probe (20fs, 35fs, 40fs, 60fs, 80fs and 100fs). Single color measurement of the unperturbed sample serves as reference. The respective time delays for the various runs can be found in the cxig0715_water_runs.txt file. For construction of the WAXS signal the geometry file cxi0715.geom is applied.