Application of multivariate analysis to in situ X-ray diffraction data sets shows great promise for extraction of weak diffraction signals. The mathematical treatment of the data set enables separation into individual components, thus enabling a more straightforward investigation of dynamic reaction behavior.

Full-field hyperspectral X-ray absorption spectroscopy imaging implemented at a quick-EXAFS beamline offers the capability to add micrometre-scale information to second time resolution for operando monitoring of functional materials under process conditions.

Intracellular protein–ligand dissociation constants are measured by in-cell NMR spectroscopy by means of competition binding experiments with respect to a reference ligand. The method is applied to a set of carbonic anhydrase inhibitors, revealing intracellular binding with nanomolar affinity.

A method is introduced to deconvolve SAXS datasets from evolving mixtures, such as those produced by time-resolved, temperature jump, ligand titration and chromatography-coupled setups. The method incorporates general restraints using regularized alternating least squares (REGALS), enabling physically meaningful deconvolution without the need for a hard physicochemical or structural model.

The size and size anisotropy of nanocrystals is determined together with the distribution of amorphous phases inside a seven-capillary model reactor filled with various nanomaterials. This is achieved by diffraction scattering computed tomography followed by Rietveld refinement and multivariate analysis of Rietveld backgrounds.

During thin-film deposition by radio-frequency magnetron sputtering reliable high-energy grazing-incidence X-ray scattering data are obtained. In situ pair distribution function analysis is achieved allowing the deposition process to be investigated.

Multivariate analysis has been adapted to treat data from modulated enhanced diffraction, with the aim of increasing the potential of this technique.