xrayutilities: A versatile tool for reciprocal space conversion of scattering data recorded with linear and area detectors

Abstract

We present general algorithms to convert scattering data of linear and area detectors recorded in various scattering geometries to reciprocal space coordinates. The presented algorithms work for any goniometer configuration including popular four-circle, six-circle and kappa goniometers. We avoid the use of commonly employed approximations and therefore provide algorithms which work also for large detectors at small sample detector distances. A recipe for determining the necessary detector parameters including mostly ignored misalignments is given. The algorithms are implemented in a freely available open-source package.

28 pages, 5 figures, submitted to the Journal of Applied Crystallography

References in corpus (2)

• PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
• Selective coherent x-ray diffractive imaging of displacement fields in (Ga,Mn)As/GaAs periodical wires

Cited by in corpus (21)

• Direct Bandgap Emission from Hexagonal Ge and SiGe Alloys
• Saturation of the anomalous Hall effect at high magnetic fields in altermagnetic RuO2
• Thickness dependence of the anomalous Hall effect in thin films of the topological semimetal Co${}_2$MnGa
• Powder diffraction in Bragg-Brentano geometry with straight linear detectors
• $\gamma$-phase Inclusions as Common Defects in Alloyed $\beta$-(Al${}_x$Ga${}_{1\text{-}x}$)${}_2$O${}_3$ and Doped $\beta$-Ga${}_2$O${}_3$ Films
• udkm1Dsim -- A Python toolbox for simulating 1D ultrafast dynamics in condensed matter
• Laser-Induced Transient Magnons in Sr3Ir2O7 Throughout the Brillouin Zone
• Defect-driven antiferromagnetic domain walls in CuMnAs films
• Mamba: a systematic software solution for beamline experiments at HEPS
• Synthesis of thin film infinite-layer nickelates by atomic hydrogen reduction: clarifying the role of the capping layer
• Measurement of spin dynamics in a layered nickelate using x-ray photon correlation spectroscopy: Evidence for intrinsic destabilization of incommensurate stripes at low temperatures
• Impact of magnetization and hyperfine field distribution on high magnetoelectric coupling strength in BaTiO${}_3$-BiFeO${}_3$ multilayers
• Mixed side-chain geometries for aggregation control of poly(fluorene-alt-bithiophene) and their effects on photophysics and charge transport
• Lattice-tunable substituted iron garnets for low-temperature magnonics
• RaDMaX online: a web-based program for the determination of strain and damage profiles in irradiated crystals using X-ray diffraction
• Time-resolved X-ray diffraction study of the structural dynamics in a ferroelectric thin film induced by sub-coercive fields
• Single-crystalline CrSb(0001) thin films grown by dc magnetron co-sputtering
• Bulk-like magnetic properties in MBE-grown unstrained, antiferromagnetic CuMnSb
• Ultrafast energy-dispersive soft-x-ray diffraction in the water window with a laser-driven source
• Evolution of the surface atomic structure of multielement oxide films: curse or blessing?
• Structure and magnetism of MnGe thin films grown with a nonmagnetic CrSi template