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@ARTICLE{Brehm:474903,
      author       = {Brehm, Wolfgang and White, Thomas and Chapman, Henry N.},
      title        = {{C}rystal diffraction prediction and partiality estimation
                      using {G}aussian basis functions},
      journal      = {Acta crystallographica / A},
      volume       = {79},
      number       = {2},
      issn         = {0108-7673},
      address      = {Oxford [u.a.]},
      publisher    = {Blackwell},
      reportid     = {PUBDB-2022-01059},
      pages        = {145 - 162},
      year         = {2023},
      abstract     = {The recent diversification in macromolecular
                      crystallographic experiments to pink beams, convergent
                      electron diffraction and serial crystallography has shown
                      the limitations of using the Laue equations for diffraction
                      prediction. This publication aims to give a straightforward
                      way of calculating approximate crystal diffraction patterns
                      given varying distributions of the incoming beam, crystal
                      shapes and other potentially hidden parameters. This
                      approach models each pixel of a diffraction pattern and
                      improves data processing of integrated peak intensities by
                      enabling the correction of partially recorded
                      reflections.The fundamental idea is to express the
                      distributions as weighted sums of Gaussian functions.},
      cin          = {FS-CFEL-1 / FS-CFEL-1-BMX / UNI/CUI / FS-EC},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-CFEL-1-20120731 /
                      I:(DE-H253)FS-CFEL-1-BMX-20210408 /
                      $I:(DE-H253)UNI_CUI-20121230$ / I:(DE-H253)FS-EC-20120731},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project 390715994 - EXC 2056: CUI: Advanced
                      Imaging of Matter (390715994) / DFG project 194651731 - EXC
                      1074: Hamburger Zentrum für ultraschnelle Beobachtung
                      (CUI): Struktur, Dynamik und Kontrolle von Materie auf
                      atomarer Skala (194651731)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)390715994 /
                      G:(GEPRIS)194651731},
      experiment   = {EXP:(DE-H253)XFEL(machine)-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {36862040},
      UT           = {WOS:000942386400002},
      doi          = {10.1107/S2053273323000682},
      url          = {https://bib-pubdb1.desy.de/record/474903},
}