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@ARTICLE{Zeller:859021,
      author       = {Zeller, D. and Telling, M. T. F. and Zamponi, M. and
                      García Sakai, V. and Peters, J.},
      title        = {{A}nalysis of elastic incoherent neutron scattering data
                      beyond the {G}aussian approximation},
      journal      = {The journal of chemical physics},
      volume       = {149},
      number       = {23},
      issn         = {1089-7690},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {FZJ-2018-07838},
      pages        = {234908 -},
      year         = {2018},
      abstract     = {This work addresses the use of the Gaussian approximation
                      as a common tool to extract atomic motions in proteins from
                      elastic incoherent neutron scattering and whether
                      improvements in data analysis and additional information can
                      be obtained when going beyond that. We measured
                      alpha-lactalbumin with different levels of hydration on
                      three neutron backscattering spectrometers, to be able to
                      resolve a wide temporal and spatial range for dynamics. We
                      demonstrate that the Gaussian approximation gives
                      qualitatively similar results to models that include
                      heterogeneity, if one respects a certain procedure to treat
                      the intercept of the elastic intensities with the momentum
                      transfer axis. However, the inclusion of motional
                      heterogeneity provides better fits to the data. Our analysis
                      suggests an approach of limited heterogeneity, where
                      including only two kinds of motions appears sufficient to
                      obtain more quantitative results for the mean square
                      displacement. Finally, we note that traditional
                      backscattering spectrometers pose a limit on the lowest
                      accessible momentum transfer. We therefore suggest that
                      complementary information about the spatial evolution of the
                      elastic intensity close to zero momentum transfer can be
                      obtained using other neutron methods, in particular, neutron
                      spin-echo together with polarization analysis},
      cin          = {JCNS-FRM-II / Neutronenstreuung ; JCNS-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-1-20110106},
      pnm          = {6G15 - FRM II / MLZ (POF3-6G15) / 6G4 - Jülich Centre for
                      Neutron Research (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-6G15 / G:(DE-HGF)POF3-6G4},
      experiment   = {EXP:(DE-MLZ)SPHERES-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30579322},
      UT           = {WOS:000454102600033},
      doi          = {10.1063/1.5049938},
      url          = {https://juser.fz-juelich.de/record/859021},
}