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7 results for “XFEL”
Simulated Photon-Matter interaction of 3fs 4.96 keV European XFEL pulses with 2NIP
<p>Simulated photon-matter interaction trajectories for x-ray pulses from SASE1 beamline at European XFEL with a protein (pdb entry 2NIP).</p> <p>Input: https://dx.doi.org/10.5281/zenodo.884873 (WPG coherent wavefront propagation)</p> <p>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.</p>
WPGed XPD 3fs, 4.96 keV pulses European XFEL SASE1 SPB-SFX
<p>Propagated pulses of 3 fs duration and 4.96 keV photon energy.</p> <p>Input (XFEL source): (per XPD https://in.xfel.eu/xpd) [https://dx.doi.org/10.5281/zenodo.855301]</p> <p>Simulation code: WPG</p>
Simulated coherent diffraction from 2NIP (SPB-SFX instrument, 3 fs, 4.96 keV European XFEL pulses)
<p>Simulated diffraction from 2NIP</p> <p>Input: https://dx.doi.org/10.5281/zenodo.886061 (photon-matter interaction)</p> <p>Simulation code: singFEL</p>
Experimental and simulation data from Stransky et al. "Ionization by XFEL radiation produces distinct structure in liquid water"
<p>This deposition contains two separate gzipped tarballs:</p> <ol> <li><strong>preprocessed_diffraction_data.tar.gz</strong><br>pre-processed diffraction data, specifically I(q) traces for each X-ray pulse along with associated metadata</li> <li><strong>XMDYN_simulations.tar.gz</strong><br>simulation trajectories produced by the XMDYN code that describe water ionization following an intense X-ray pulse</li> </ol> <p>In more detail, the <strong>preprocessed_diffraction_data.tar.gz</strong> contains 36 HDF5 files, each corresponding to a single LCLS run. Each HDF5 contains the following data arrays:</p> <pre><code>ebeam Group event_time Dataset {8674/Inf} evr Group fiducials Dataset {8674/Inf} gas_detector Group phase_cav Group probe_energy Dataset {8674/Inf} probe_mag Dataset {8674/Inf} pump_energy Dataset {8674/Inf} pump_mag Dataset {8674/Inf} radial_profile Dataset {8674/Inf, 500} radial_profile_qvalues Dataset {500/8192}</code></pre> <p>The X contains trajectories for 7 different simulations, each in a separate directory. These top level directories are named according to simulation parameters:</p> <div>sim<BOX_SIZE>A_<probe_delay[fs]/singl>_<fraction_of_nominal_fluence></div> <div> </div> <div>Box sizes are in [Å], probe delay is in [fs] or there is only single pulse, 1.00 is the nominal fluence.</div> <div> </div> <div>Each of these directories contain subdirectories recording snapshots every 5 fs.</div> <div>The subdirectory name is the snapshot time in attoseconds.</div> <div>The simulation starts at 0 fs, the pump pulse is centered at the time 30 fs.</div> <div>That means that if there is a probe pulse with delay of 110 fs, it is centered</div> <div>at 140 fs.</div> <div> </div> <div>The snapshot directories contain 6 text files:</div> <ul> <li><strong>econf.dat</strong> : list of all atomic configurations observed in the simulation snapshot, each line starts with the atomic Z, followed by the electron configuration</li> <li><strong>T.dat</strong> : the electronic configuration for each particle in the simulation, in the form of a list of indices. The n-th element of the list indicates the electronic configuration of the n-th particle in the simulation by specifying a line in econf.dat. For instance, if the 10th element is "0", it indicates the 10th simulated particle has the electronic configuration written on the first line of econf.dat</li> <li><strong>Z.dat</strong> : sequence of atomic numbers for all simulated atoms.</li> <li><strong>q.dat</strong> : charge of atoms in elementary charge units (redundant data).</li> <li><strong>r.dat</strong> : cartesian position in [m], each atom position on one line.</li> <li><strong>v.dat</strong> : velocity components in [m/s], each atom on one line.</li> </ul>
Raw data repository for the article: "High spatial coherence and short pulse duration revealed by the Hanbury Brown and Twiss interferometry at the European XFEL"
<p>Raw data depository for the article in the Structural Dynamics journal: DOI: 10.1063/4.0000127. Details with the file information are given in the file "HBT_XFEL_Data_set_Info_final.pdf"</p>
Unmerged reflections from XFEL thermolysin experiment in DIALS and mmCIF format
<p>Unmerged reflections from an XFEL dataset collected on thermolysin crystals in Feb 2013, as part of LCLS experiment L785.</p> <p>Raw CSPAD images were processed using cctbx.xfel/DIALS as described in <a href="https://www.cxidb.org/id-81.html">cxi.db entry 81</a>, which includes integrated intensities for each image. These intensities were then scaled and post-refined by the program cctbx.xfel.merge, then saved as unmerged data in DIALS format.</p> <p>This is a work in progress. Full processing details and an unmerged mmCIF file will be provided here in a new version of this dataset.</p> <p> </p> <p> </p>
Example data from the momentum microscope at SXP at European XFEL
<p>This is an example dataset from the Momentum Microscopy setup at the SXP end station of the European XFEL.</p> <p>It contains time-resolved photoemission data of a Au on Mica sample, and demonstrates a shift of the 4f core levels upon photoexcitation.</p>
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