Related papers: Shape2SAS -- a web application to simulate small-a…
Small-angle scattering (SAS) is a key experimental technique for analyzing nano-scale structures in various materials.In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it…
For obtaining reliable nanostructural details of large amounts of sample --- and if it is applicable --- Small-Angle Scattering (SAS) is a prime technique to use. It promises to obtain bulk-scale, statistically sound information on the…
A reliable and user-friendly characterisation of nano-objects in a target material is presented here in the form of a software data analysis package for interpreting small-angle X-ray scattering (SAXS) patterns. When provided with data on…
Characterization of structural diversity within soft materials is key for engineering new materials for various applications. Small-angle scattering (SAS) is a widely used characterization technique that provides structural information in…
Small-angle scattering (SAS) techniques, which utilize neutrons and X-rays, are employed in various scientific fields, including materials science, biochemistry, and polymer physics. During the analysis of SAS data, model parameters that…
Small-Angle Scattering (SAS) investigates structures in samples that generally range from approximately 0.5 nm to a few 100 nm. This can both be done for isotropic samples such as blends and liquids, as well as anisotropic samples such as…
Small-angle X-ray or neutron scattering (SAXS/SANS/SAS) is widely used to obtain structural information on biomolecules or soft-matter complexes in solution. Deriving a molecular interpretation of the scattering signals requires methods for…
Small-angle X-ray and neutron scattering experiments are used in many fields of the life sciences and condensed matter research to obtain answers to questions about the shape and size of nano-sized structures, typically in the range of 1 to…
In this paper, we propose a method for estimating model parameters using Small-Angle Scattering (SAS) data based on the Bayesian inference. Conventional SAS data analyses involve processes of manual parameter adjustment by analysts or…
Analysis of small angle scattering (SAS) data requires intensive modelling to infer and characterize the structures present in a sample. This iterative improvement of models is a time consuming process. Here we present the Scattering…
Small Angle Scattering (SAS) of X-rays or neutrons is an experimental technique that provides valuable structural information for biological macromolecules under physiological conditions and with no limitation on the molecular size. In…
We extends pair distribution function (PDF) analysis into the small-angle scattering (SAS) regime and describe the data collection protocol for optimum data quality. We also present the PDFgetS3 software package that can be readily used to…
Assessing the similarity of matrices is valuable for analyzing the extent to which data sets exhibit common features in tasks such as data clustering, dimensionality reduction, pattern recognition, group comparison, and graph analysis.…
In this paper, we extend a recently developed machine-learning (ML) based CREASE-2D method to analyze the entire two-dimensional (2D) scattering pattern obtained from small angle X-ray scattering measurements of supramolecular dipeptide…
We propose a versatile software package in the form of a Python extension, named CDEF (Computing Debye's scattering formula for Extraordinary Formfactors), to approximately calculate scattering profiles of arbitrarily shaped nanoparticles…
Data visualizations summarize high-dimensional distributions in two or three dimensions. Dimensionality reduction entails a loss of information, and what is preserved differs between methods. Existing methods preserve the local or the…
Statistical shape modeling is the computational process of discovering significant shape parameters from segmented anatomies captured by medical images (such as MRI and CT scans), which can fully describe subject-specific anatomy in the…
Open-source 3D data processing libraries originally developed for computer vision and pattern recognition are used to align and compare molecular shapes and sub-shapes. Here, a shape is represented by a set of points distributed on the van…
3D scatterplots are a well-established plotting technique that can be used to represent data with three or more dimensions. On paper and computer monitors they are essentially two-dimensional projections of the three-dimensional Cartesian…
Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…