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@ARTICLE{Bocquet:857568,
      author       = {Bocquet, F. C. and Mercurio, G. and Franke, M. and van
                      Straaten, G. and Weiß, S. and Soubatch, S. and Kumpf, C.
                      and Tautz, Frank Stefan},
      title        = {{T}orricelli: {A} software to determine atomic spatial
                      distributions from normal incidence x-ray standing wave
                      data},
      journal      = {Computer physics communications},
      volume       = {235},
      issn         = {0010-4655},
      address      = {Amsterdam},
      publisher    = {North Holland Publ. Co.},
      reportid     = {FZJ-2018-06553},
      pages        = {502 - 513},
      year         = {2019},
      abstract     = {We introduce a software, Torricelli, for the analysis of
                      normal incidence x-ray standing wave data. In particular,
                      given the experimental x-ray reflectivity and photoelectron
                      yield of a data set (photon energy scan), Torricelli
                      provides the corresponding structural parameters. The
                      algorithm and equations on which Torricelli is based are
                      explained here in detail. In particular, the model of the
                      experimental reflectivity takes into account the theoretical
                      reflectivity of the double crystal monochromator as well as
                      the sample crystal, and a Gaussian broadening to account for
                      mosaicity and photon energy spread. If statistical errors
                      are provided together with the photoelectron yield data,
                      these are propagated to produce the statistical errors of
                      the structural parameters. For a more accurate analysis,
                      angle-dependent correction parameters specific to the
                      photoemission process, also beyond the dipole approximation,
                      can be taken into account, especially in the case of
                      non-perfect normal incidence. The obtained structural
                      parameters can be compared, averaged, and displayed in an
                      Argand diagram, along with statistical error bars.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {141 - Controlling Electron Charge-Based Phenomena
                      (POF3-141) / DFG project 396769409 - Grundlagen der
                      Photoemissionstomographie},
      pid          = {G:(DE-HGF)POF3-141 / G:(GEPRIS)396769409},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000451491100046},
      doi          = {10.1016/j.cpc.2018.06.009},
      url          = {https://juser.fz-juelich.de/record/857568},
}