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

摘要

We present general algorithms to convert scattering data of linear and areadetectors recorded in various scattering geometries to reciprocal spacecoordinates. The presented algorithms work for any goniometer configurationincluding popular four-circle, six-circle and kappa goniometers. We avoid theuse of commonly employed approximations and therefore provide algorithms whichwork also for large detectors at small sample detector distances. A recipe fordetermining the necessary detector parameters including mostly ignoredmisalignments is given. The algorithms are implemented in a freely availableopen-source package.