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Desmearing small-angle scattering data by central moment expansions of instrument resolution.

作者信息

Huang Guan-Rong, Porcar Lionel, Shinohara Yuya, Wildgruber Christoph U, Tung Chi-Huan, Do Changwoo, Chen Wei-Ren

机构信息

Department of Engineering and System Science National Tsing Hua University Hsinchu 30013 Taiwan.

Physics Division, National Center for Theoretical Sciences, Taipei 10617, Taiwan.

出版信息

J Appl Crystallogr. 2025 Jun 20;58(Pt 4):1355-1359. doi: 10.1107/S1600576725004212. eCollection 2025 Aug 1.

Abstract

This study introduces an enhanced numerical technique tailored specifically for refining 1D small-angle scattering (SAS) intensity profiles affected by smearing. Our primary objective is to address the resolution blurring commonly encountered in SAS data, particularly in systems with clearly defined correlation peaks whose spread aligns with the width of the resolution function at corresponding positions. Unlike previous approaches that expanded the SAS intensity using central moment expansion, the new method focuses on expanding the resolution function itself, thus eliminating artificial oscillations observed in smeared spectra due to limitations inherent in our earlier algorithm. This method is straightforward to implement, computationally efficient and consistently performs well in numerical benchmarking. To illustrate its effectiveness, we present a case study of a lamellar phase characterized by distinct peaks in its small-angle neutron scattering intensities.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c544/12321025/46e3b3841933/j-58-01355-fig1.jpg

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