title: xrayutilities: a versatile tool for reciprocal space conversion of scattering data recorded with linear and area detectors.
abstract: General algorithms to convert scattering data of linear and area detectors recorded in various scattering geometries to reciprocal space coordinates are presented. These algorithms work for any goniometer configuration including popular four-circle, six-circle and kappa goniometers. The use of commonly employed approximations is avoided and therefore the algorithms 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.
authors.affiliation: Institute of Semiconductor and Solid State Physics, Johannes Kepler University, Altenbergerstrasse 69, A-4040 Linz, Austria.
authors.forename: Dominik
authors.initials: D
authors.lastname: Kriegner
authors.forename: Eugen
authors.initials: E
authors.lastname: Wintersberger
authors.forename: Julian
authors.initials: J
authors.lastname: Stangl
keywords: X-ray scattering; computer programs; data analysis; reciprocal space
references.citation: Acta Crystallogr D Biol Crystallogr. 2006 Jan;62(Pt 1):48-57
references.pmid: 16369093
references.citation: Appl Opt. 1982 Aug 1;21(15):2758-69
references.pmid: 20396114