Robust approaches for model-free small-angle scattering data analysis

J Appl Crystallogr. 2022 May 28;55(Pt 3):586-591. doi: 10.1107/S1600576722004356. eCollection 2022 Jun 1.

Abstract

The small-angle neutron scattering data of nanostructured magnetic samples contain information regarding their chemical and magnetic properties. Often, the first step to access characteristic magnetic and structural length scales is a model-free investigation. However, due to measurement uncertainties and a restricted q range, a direct Fourier transform usually fails and results in ambiguous distributions. To circumvent these problems, different methods have been introduced to derive regularized, more stable correlation functions, with the indirect Fourier transform being the most prominent approach. Here, the indirect Fourier transform is compared with the singular value decomposition and an iterative algorithm. These approaches are used to determine the correlation function from magnetic small-angle neutron scattering data of a powder sample of iron oxide nanoparticles; it is shown that with all three methods, in principle, the same correlation function can be derived. Each method has certain advantages and disadvantages, and thus the recommendation is to combine these three approaches to obtain robust results.

Keywords: Fourier transform; MIEZE; RESEDA; correlation functions; magnetic nanoparticles; modulation of intensity with zero effort; small-angle scattering.

Grants and funding

Funding for this research was provided by Deutsche Forschungsgemeinschaft; Bundesministerium für Bildung und Forschung (grant No. 05K16WO6). This work benefited from the use of the SasView application, originally developed under NSF award No. DMR-0520547. SasView contains code developed with funding from the European Union’s Horizon 2020 research and innovation programme under the SINE2020 project, grant agreement No. 654000.