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@ARTICLE{Paulus:903659,
      author       = {Paulus, Marc and Paulus, Anja and Eichel, Rüdiger-A. and
                      Granwehr, Josef},
      title        = {{I}ndependent component analysis combined with {L}aplace
                      inversion of spectrally resolved spin-alignment echo/ {T} 1
                      3{D} 7 {L}i {NMR} of superionic {L}i 10 {G}e{P} 2 {S} 12},
      journal      = {Zeitschrift für physikalische Chemie},
      volume       = {236},
      number       = {6-8},
      issn         = {0044-3336},
      address      = {Berlin},
      publisher    = {De Gruyter},
      reportid     = {FZJ-2021-05308},
      pages        = {},
      year         = {2021},
      abstract     = {The use of independent component analysis (ICA) for the
                      analysis of two-dimensional (2D) spin-alignment echo–T 1
                      7Li NMR correlation data with transient echo detection as a
                      third dimension is demonstrated for the superionic conductor
                      Li10GeP2S12 (LGPS). ICA was combined with Laplace inversion,
                      or discrete inverse Laplace transform (ILT), to obtain
                      spectrally resolved 2D correlation maps. Robust results were
                      obtained with the spectra as well as the vectorized
                      correlation maps as independent components. It was also
                      shown that the order of ICA and ILT steps can be swapped.
                      While performing the ILT step before ICA provided better
                      contrast, a substantial data compression can be achieved if
                      ICA is executed first. Thereby the overall computation time
                      could be reduced by one to two orders of magnitude, since
                      the number of computationally expensive ILT steps is limited
                      to the number of retained independent components. For LGPS,
                      it was demonstrated that physically meaningful independent
                      components and mixing matrices are obtained, which could be
                      correlated with previously investigated material properties
                      yet provided a clearer, better separation of features in the
                      data. LGPS from two different batches was investigated,
                      which showed substantial differences in their spectral and
                      relaxation behavior. While in both cases this could be
                      attributed to ionic mobility, the presented analysis may
                      also clear the way for a more in-depth theoretical analysis
                      based on numerical simulations. The presented method appears
                      to be particularly suitable for samples with at least
                      partially resolved static quadrupolar spectra, such as
                      alkali metal ions in superionic conductors. The good
                      stability of the ICA analysis makes this a prospect
                      algorithm for preprocessing of data for a subsequent
                      automatized analysis using machine learning concepts.},
      cin          = {IEK-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-9-20110218},
      pnm          = {1223 - Batteries in Application (POF4-122) / HITEC -
                      Helmholtz Interdisciplinary Doctoral Training in Energy and
                      Climate Research (HITEC) (HITEC-20170406)},
      pid          = {G:(DE-HGF)POF4-1223 / G:(DE-Juel1)HITEC-20170406},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000744114500001},
      doi          = {10.1515/zpch-2021-3136},
      url          = {https://juser.fz-juelich.de/record/903659},
}