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@ARTICLE{Sapnik:639303,
      author       = {Sapnik, Adam F. and Chater, Philip A. and Keeble, Dean S.
                      and Evans, John S. O. and Bertolotti, Federica and
                      Guagliardi, Antonietta and Støckler, Lise J. and Harbourne,
                      Elodie A. and Borup, Anders B. and Silberg, Rebecca S. and
                      Descamps, Adrien and Prescher, Clemens and Klee, Benjamin D.
                      and Phelipeau, Axel and Ullah, Imran and Medina, Kárel G.
                      and Bird, Tobias A. and Kaznelson, Viktoria and Lynn,
                      William and Goodwin, Andrew L. and Iversen, Bo B. and
                      Crepisson, Celine and Bozin, Emil S. and Jensen, Kirsten M.
                      Ø. and McBride, Emma E. and Neder, Reinhard B. and
                      Robinson, Ian and Wark, Justin S. and Andrzejewski, Michał
                      and Boesenberg, Ulrike and Brambrink, Erik and Camarda,
                      Carolina and Cerantola, Valerio and Goede, Sebastian and
                      Höppner, Hauke and Humphries, Oliver S. and Konopkova,
                      Zuzana and Kujala, Naresh and Michelat, Thomas and
                      Nakatsutsumi, Motoaki and Pelka, Alexander and Preston,
                      Thomas R. and Randolph, Lisa and Roeper, Michael and
                      Schmidt, Andreas and Strohm, Cornelius and Tang, Minxue and
                      Talkovski, Peter and Zastrau, Ulf and Appel, Karen and Keen,
                      David A.},
      title        = {{H}igh-quality ultra-fast total scattering and pair
                      distribution function data using an {X}-ray free-electron
                      laser},
      journal      = {IUCrJ},
      volume       = {12},
      number       = {5},
      issn         = {2052-2525},
      address      = {Chester},
      reportid     = {PUBDB-2025-04404},
      pages        = {531 - 547},
      year         = {2025},
      abstract     = {High-quality total scattering data, a key tool for
                      understanding atomic-scale structure in disordered
                      materials, require stable instrumentation and access to high
                      momentum transfers. This is now routine at dedicated
                      synchrotron instrumentation using high-energy X-ray beams,
                      but it is very challenging to measure a total scattering
                      dataset in less than a few microseconds. This limits their
                      effectiveness for capturing structural changes that occur at
                      the much faster timescales of atomic motion. Current X-ray
                      free-electron lasers (XFELs) provide femtosecond-pulsed
                      X-ray beams with maximum energies of ∼24 keV, giving the
                      potential to measure total scattering and the attendant pair
                      distribution functions (PDFs) on femtosecond timescales. We
                      demonstrate that this potential has been realized using the
                      HED scientific instrument at the European XFEL and present
                      normalized total scattering data for 0.35 Å−1 < Q <
                      16.6 Å−1 and their PDFs from a broad spectrum of
                      materials, including crystalline, nanocrystalline and
                      amorphous solids, liquids and clusters in solution. We
                      analyzed the data using a variety of methods, including
                      Rietveld refinement, small-box PDF refinement, joint
                      reciprocal–real-space refinement, cluster refinement and
                      Debye scattering analysis. The resolution function of the
                      setup is also characterized. We conclusively show that
                      high-quality data can be obtained from a single ∼30 fs
                      XFEL pulse for multiple different sample types. Our efforts
                      not only significantly increase the existing maximum
                      reported Q range for an S(Q) measured at an XFEL but also
                      mean that XFELs are now a viable X-ray source for the broad
                      community of people using reciprocal-space total scattering
                      and PDF methods in their research.},
      cin          = {DOOR ; HAS-User / FS-HIBEF / $XFEL_E1_HED$ /
                      $XFEL_DO_ID_LAS$},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731 / I:(DE-H253)FS-HIBEF-20240110
                      / $I:(DE-H253)XFEL_E1_HED-20210408$ /
                      $I:(DE-H253)XFEL_DO_ID_LAS-20210408$},
      pnm          = {623 - Data Management and Analysis (POF4-623) / 6G3 - PETRA
                      III (DESY) (POF4-6G3) / DFG project G:(GEPRIS)521549147 -
                      Eigenschaften eisenhaltiger Geomaterialien unter Bedingungen
                      der Kern-Mantel Grenze (521549147) / DFG project
                      G:(GEPRIS)500707704 - SPP 2404: Rekonstruktion der Dynamik
                      des tiefen Erdinnern über geologische Zeiträume (DeepDyn)
                      (500707704)},
      pid          = {G:(DE-HGF)POF4-623 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)521549147 / G:(GEPRIS)500707704},
      experiment   = {EXP:(DE-H253)P-P02.1-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1107/S205225252500538X},
      url          = {https://bib-pubdb1.desy.de/record/639303},
}