anaklasis: a compact software package for model-based analysis of specular neutron and X-ray reflectometry data sets.

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 togethe

SUBMITTER: Koutsioubas A 

PROVIDER: S-EPMC8662969 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature