Journal Article

FZJ-2021-05014

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png anaklasis : a compact software package for model-based analysis of specular neutron and X-ray reflectometry data sets

Koutsioumpas, A. (Corresponding author)FZJ*

2021
Wiley-Blackwell [S.l.]

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Please use a persistent id in citations: http://hdl.handle.net/2128/30086  doi:10.1107/S1600576721009262

Abstract: anaklasis constitutes a set of open-source Python scripts that facilitate a range of specular neutron and X-ray reflectivity calculations, involving the generation of theoretical curves and the comparison/fitting of interfacial model reflectivity against experimental data sets. The primary focus of the software is twofold: on one hand to offer a more natural framework for model definition, requiring minimum coding literacy, and on the other hand to include advanced analysis methods that have been proposed in recent work. Particular attention is given to the ability to co-refine reflectivity data and to the estimation of model-parameter uncertainty and covariance using bootstrap analysis and Markov chain Monte Carlo sampling. The compactness and simplicity of model definition together with the streamlined analysis do not present a steep learning curve for the user, an aspect that may accelerate the generation of reproducible, easily readable and statistically accurate reports in future neutron and X-ray reflectivity related literature.

Keyword(s): Instrument and Method Development (1st) ; Condensed Matter Physics (2nd) ; Crystallography (2nd) ; Instrument and Method Development (2nd)

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Contributing Institute(s):

1. JCNS-FRM-II (JCNS-FRM-II)
2. Streumethoden (JCNS-2)
3. JCNS-4 (JCNS-4)
4. Heinz Maier-Leibnitz Zentrum (MLZ)

Research Program(s):

1. 6G4 - Jülich Centre for Neutron Research (JCNS) (FZJ) (POF4-6G4) (POF4-6G4)
2. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)

Experiment(s):

1. MARIA: Magnetic reflectometer with high incident angle (NL5N)

Appears in the scientific report 2021

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DEAL Wiley ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; Nationallizenz ; PubMed Central ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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