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Comparison of iterative desmearing procedures for one-dimensional small-angle scattering data

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2011
Munksgaard Copenhagen

Journal of applied crystallography 44, 32 - 42 () [10.1107/S0021889810049721]

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Abstract: Two simple iterative desmearing procedures - the Lake algorithm and the Van Cittert method - have been investigated by introducing different convergence criteria using both synthetic and experimental small-angle neutron scattering data. Implementing appropriate convergence criteria resulted in stable and reliable solutions in correcting resolution errors originating from instrumental smearing, i.e. finite collimation and polychromaticity of the incident beam. Deviations at small momentum transfer for concentrated ensembles of spheres encountered in earlier studies are not observed. Amplification of statistical errors can be reduced by applying a noise filter after desmearing. In most cases investigated, the modified Lake algorithm yields better results with a significantly smaller number of iterations and is, therefore, suitable for automated desmearing of large numbers of data sets.

Keyword(s): J ; small-angle scattering (auto) ; instrumental resolution (auto) ; desmearing (auto)

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Note: The authors thank Dr Aurel Radulescu (Julich Centre for Neutron Science, Forschungszentrum Julich) for experimental assistance at the KWS-2 beamline, Dr Johan Buitenhuis (Institut fur Festkorperforschung, Forschungszentrum Julich) for providing the silica sample, and one of the referees for his/her valuable comments. Financial support by the Bundesministerium fur Bildung und Forschung, grant No. 05KS7OD2, is gratefully acknowledged.

Contributing Institute(s):
  1. Weiche Materie (ICS-3)
Research Program(s):
  1. BioSoft: Makromolekulare Systeme und biologische Informationsverarbeitung (P45)
Experiment(s):
  1. KWS-2: Small angle scattering diffractometer (NL3ao)

Appears in the scientific report 2011
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 Record created 2012-11-13, last modified 2024-06-19



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