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ATSAS release 4 introduces major updates with improved GUIs, project support and enhanced tools for the analysis of biological macromolecules and nanostructures—streamlining workflows across applications. Read more about the new features in Journal of Applied Crystallography ➡️ doi.org/10.1107/S16005…

Would you like to study air-sensitive samples using 3D electron diffraction? 📢Check out our latest Journal of Applied Crystallography paper on a cryotransfer method tested on reactive xenon fluorides. doi.org/10.1107/S16005… Kshitij Electron Crystallography Prague Kristian Radan #ChemTwitter #3DED #microED

Tanny Chavez et al.: A machine-learning-driven data labeling pipeline for scientific analysis in MLExchange #XRayScattering #DataLabeling #MachineLearning ... #IUCr journals.iucr.org/paper?S1600576…

Fang and Ludwig: Forward-model-based grain reconstruction to improve the tolerance of diffraction contrast tomography for increased sample deformation #ForwardModelReconstruction #GrainMapping ... #IUCr journals.iucr.org/paper?S1600576…

Yu-Hsuan Lin et al.: Interface densification in a microphase-separated diblock copolymer resolved by small-angle X-ray scattering #BlockCopolymers #Interfaces #LowerCriticalOrderingTransitions ... #IUCr journals.iucr.org/paper?S1600576…

Huat Thart Chiang et al.: Efficient analysis of small-angle scattering curves for large biomolecular assemblies using Monte Carlo methods #SmallAngleScattering #BiomolecularAssembly #MonteCarloMethods @ucsandiego... #IUCr journals.iucr.org/paper?S1600576…

M​uthu Vallinayagam et al.: Linearization routines for the parameter space concept to determine crystal structures without Fourier inversion #ParameterSpaceConcept #CentrosymmetricStructure ... #IUCr journals.iucr.org/paper?S1600576…

Guan-Rong Huang et al.: Elongated particles in flow: commentary on small-angle scattering investigations #SmallAngleScattering #FlowingElongatedParticles #OrientationDistributionFunctions ... #IUCr journals.iucr.org/paper?S1600576…

João L. Biondo Neto et al.: IGUAPE, a graphical user interface for in situ/operando X-ray diffraction experiments at the PAINEIRA beamline: development and application #PAINEIRABeamline #XRDInSituExperiments ... #IUCr journals.iucr.org/paper?S1600576…

Joseph A. M. Paddison: Absolute intensity normalization of powder neutron scattering data #NeutronDiffraction #TotalScattering #Magnetism ... #IUCr journals.iucr.org/paper?S1600576…

D​mytro Antypov et al.: Classification and statistical analysis of structural disorder in crystalline materials #DisorderClassification #CIF #EntropyCalculation @livuni @livuni @livuni @livuni @livuni... #IUCr journals.iucr.org/paper?S1600576…

Emre Brookes et al.: SAXS-A-FOLD: a website for fast ensemble modeling optimizing the fit of AlphaFold or user-supplied protein structures with flexible regions to SAXS data #EnsembleModeling #SAXS #AlphaFold ... #IUCr journals.iucr.org/paper?S1600576…

Jia-Jhen Kang et al.: Changes of the lipid membrane structures caused by chain-length-dependent doxorubicin embedment in PEGylated liposomes #PEGylatedLiposome #LipidChainLength #BilayerStructure ... #IUCr journals.iucr.org/paper?S1600576…

Ippei Obayashi et al.: Enhanced estimation method for partial scattering functions in contrast variation small-angle neutron scattering via Gaussian process regression with prior knowledge of smoothness ... #IUCr journals.iucr.org/paper?S1600576…

Lijie Ding et al.: Machine-learning-informed scattering correlation analysis of sheared colloids #SmallAngleScattering #MachineLearning #Gaussian process regression ... #IUCr journals.iucr.org/paper?S1600576…

Wang and Spratt: Incorporating the direct derivation method and molecular scattering power method into the Rietveld quantitative phase analysis routine in TOPAS @qut... #IUCr journals.iucr.org/paper?S1600576…

Soufiane Saïdi et al.: Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction #Semiconductors #LaueDiffraction #Nanomechanics ... #IUCr journals.iucr.org/paper?S1600576…

Guan-Rong Huang et al.: Desmearing small-angle scattering data by central moment expansions of instrument resolution #SmallAngleScattering #Desmearing #SoftMatter ... #IUCr journals.iucr.org/paper?S1600576…

Seungyeol Lee: Structure refinement and anisotropic atomic displacement parameters of 1M Illite: Rietveld and pair distribution function analysis using synchrotron X-ray radiation #RietveldRefinement ... #IUCr journals.iucr.org/paper?S1600576…

Julian Henn: Two metrics for quantifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap #SystematicErrors #Metrics #Twinning ... #IUCr journals.iucr.org/paper?S1600576…