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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…
In this paper we present an open-source machine learning (ML) accelerated computational method to analyze small-angle scattering profiles [I(q) vs. q] from concentrated macromolecular solutions to simultaneously obtain the form factor P(q)…
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…
Intrinsically Disordered Proteins (IDPs) perform a broad range of biological functions. Their relevance has motivated intense research activity seeking to characterize their sequence/structure/function relationships. However, the…
Small-angle scattering (SAS) techniques are indispensable tools for probing the structure of soft materials. However, traditional analytical models often face limitations in structural inversion for complex systems, primarily due to the…
Shape2SAS is a web application that allows researchers and students to build intuition and understanding of small-angle scattering. It is available at https://somo.chem.utk.edu/shape2sas. The user defines a model of arbitrary shape by…
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…
Integrating sphere (IS) techniques combined with an inverse adding doubling (IAD) algorithm have been widely used for determination of optical properties of ex vivo tissues. Semi-infinite samples are required in such cases. The aim of this…
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…
Identifying damage of structural systems is typically characterized as an inverse problem which might be ill-conditioned due to aleatory and epistemic uncertainties induced by measurement noise and modeling error. Sparse representation can…
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…
In material research, structural characterization often requires multiple complementary techniques to obtain a holistic morphological view of the synthesized material. Depending on the availability of and accessibility of the different…
Small-angle X-ray scattering (SAXS) technique enables convenient nanoscopic characterization for various systems and conditions. Nonetheless, lab-based SAXS systems intrinsically suffer from insufficient x-ray flux and limited angular…
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…
Controlling false positives (Type I errors) through statistical hypothesis testing is a foundation of modern scientific data analysis. Existing causal structure discovery algorithms either do not provide Type I error control or cannot scale…
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.…
An application of resonant inelastic x-ray scattering technique for studying of optical scale excitations in electron-correlated materials is discussed. Examples are given including data obtained for 3d transition metal, lanthanide, and…
Contrast variation small-angle neutron scattering (CV-SANS) is a powerful tool to evaluate the structure of multi-component systems by decomposing scattering intensities $I$ measured with different scattering contrasts into partial…
Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly in studies of soft matter flow and deformation using SANS. We present the central moment…