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Notes on Fitting and Analysis Frameworks for QENS Spectra of (Soft) Colloid Suspensions

Beck, Christian ; Pounot, Kevin ; Mosca, Ilaria ; H jalarvo, Niina ; Roosen-Runge, Felix LU ; Schreiber, Frank and Seydel, Tilo (2022) In EPJ Web of Conferences 272.
Abstract
With continuously improving signal-to-noise ratios, a statistically sound analysis of quasi-elastic neutron scattering (QENS) spectra requires to fit increasingly complex models which poses several challenges. Simultaneous fits of the spectra for all recorded values of the momentum transfer become a standard approach. Spectrometers at spallation sources can have a complicated non-Gaussian resolution function which has to be described most accurately. At the same time, to speed up the fitting, an analytical convolution with this resolution function is of interest. Here, we discuss basic concepts to efficient approaches for fits of QENS spectra based on standard MATLAB and Python fit algorithms. We illustrate the fits with example data from... (More)
With continuously improving signal-to-noise ratios, a statistically sound analysis of quasi-elastic neutron scattering (QENS) spectra requires to fit increasingly complex models which poses several challenges. Simultaneous fits of the spectra for all recorded values of the momentum transfer become a standard approach. Spectrometers at spallation sources can have a complicated non-Gaussian resolution function which has to be described most accurately. At the same time, to speed up the fitting, an analytical convolution with this resolution function is of interest. Here, we discuss basic concepts to efficient approaches for fits of QENS spectra based on standard MATLAB and Python fit algorithms. We illustrate the fits with example data from IN16B, BASIS, and BATS. (Less)
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author
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publishing date
type
Contribution to journal
publication status
published
in
EPJ Web of Conferences
volume
272
article number
01004
pages
7 pages
publisher
EDP Sciences
ISSN
2100-014X
DOI
10.1051/epjconf/202227201004
language
English
LU publication?
no
id
bd6d2056-7c53-4742-a1b7-1778445f420f
date added to LUP
2024-05-14 20:30:19
date last changed
2024-05-20 10:41:33
@article{bd6d2056-7c53-4742-a1b7-1778445f420f,
  abstract     = {{With continuously improving signal-to-noise ratios, a statistically sound analysis of quasi-elastic neutron scattering (QENS) spectra requires to fit increasingly complex models which poses several challenges. Simultaneous fits of the spectra for all recorded values of the momentum transfer become a standard approach. Spectrometers at spallation sources can have a complicated non-Gaussian resolution function which has to be described most accurately. At the same time, to speed up the fitting, an analytical convolution with this resolution function is of interest. Here, we discuss basic concepts to efficient approaches for fits of QENS spectra based on standard MATLAB and Python fit algorithms. We illustrate the fits with example data from IN16B, BASIS, and BATS.}},
  author       = {{Beck, Christian and Pounot, Kevin and Mosca, Ilaria and H jalarvo, Niina and Roosen-Runge, Felix and Schreiber, Frank and Seydel, Tilo}},
  issn         = {{2100-014X}},
  language     = {{eng}},
  month        = {{01}},
  publisher    = {{EDP Sciences}},
  series       = {{EPJ Web of Conferences}},
  title        = {{Notes on Fitting and Analysis Frameworks for QENS Spectra of (Soft) Colloid Suspensions}},
  url          = {{http://dx.doi.org/10.1051/epjconf/202227201004}},
  doi          = {{10.1051/epjconf/202227201004}},
  volume       = {{272}},
  year         = {{2022}},
}