title: A customizable software for fast reduction and analysis of large X-ray scattering data sets: applications of the newDPDAKpackage to small-angle X-ray scattering and grazing-incidence small-angle X-ray scattering.
abstract: X-ray scattering experiments at synchrotron sources are characterized by large and constantly increasing amounts of data. The great number of files generated during a synchrotron experiment is often a limiting factor in the analysis of the data, since appropriate software is rarely available to perform fast and tailored data processing. Furthermore, it is often necessary to perform online data reduction and analysis during the experiment in order to interactively optimize experimental design. This article presents an open-source software package developed to process large amounts of data from synchrotron scattering experiments. These data reduction processes involve calibration and correction of raw data, one- or two-dimensional integration, as well as fitting and further analysis of the data, including the extraction of certain parameters. The software,DPDAK(directly programmable data analysis kit), is based on a plug-in structure and allows individual extension in accordance with the requirements of the user. The article demonstrates the use ofDPDAKfor on- and offline analysis of scanning small-angle X-ray scattering (SAXS) data on biological samples and microfluidic systems, as well as for a comprehensive analysis of grazing-incidence SAXS data. In addition to a comparison with existing software packages, the structure ofDPDAKand the possibilities and limitations are discussed.
authors.affiliation: PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, Hamburg 22607, Germany ; Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany.
authors.forename: Gunthard
authors.initials: G
authors.lastname: Benecke
authors.affiliation: Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Wagermaier
authors.affiliation: Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany.
authors.forename: Chenghao
authors.initials: C
authors.lastname: Li
authors.affiliation: PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Matthias
authors.initials: M
authors.lastname: Schwartzkopf
authors.affiliation: PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Gero
authors.initials: G
authors.lastname: Flucke
authors.affiliation: Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany ; Berlin-Brandenburg School for Regenerative Therapies (BSRT), Charité - Universitätsmedizin Berlin, Augustenburger Platz 1, Berlin 13353, Germany.
authors.forename: Rebecca
authors.initials: R
authors.lastname: Hoerth
authors.affiliation: Institut für Nanometeroptik und Technologie, BESSY II, Helmholtz-Zentrum Berlin für Materialien und Energie (HZB), Albert-Einstein-Strasse 15, Berlin 12489, Germany.
authors.forename: Ivo
authors.initials: I
authors.lastname: Zizak
authors.affiliation: ID13, European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, Grenoble 38000, France ; Department of Analytical Chemistry, Ghent University, Krijgslaan 281, S12, B-9000 Ghent, Belgium.
authors.forename: Manfred
authors.initials: M
authors.lastname: Burghammer
authors.affiliation: Lehrstuhl für Funktionelle Materialien Pysik Department E13, Technische Universität München, James-Franck-Strasse 1, Garching 85747, Germany.
authors.forename: Ezzeldin
authors.initials: E
authors.lastname: Metwalli
authors.affiliation: Lehrstuhl für Funktionelle Materialien Pysik Department E13, Technische Universität München, James-Franck-Strasse 1, Garching 85747, Germany.
authors.forename: Peter
authors.initials: P
authors.lastname: Müller-Buschbaum
authors.affiliation: University of Bayreuth, Physical Chemistry 1, 101251, Bayreuth 95440, Germany.
authors.forename: Martin
authors.initials: M
authors.lastname: Trebbin
authors.affiliation: University of Bayreuth, Physical Chemistry 1, 101251, Bayreuth 95440, Germany.
authors.forename: Stephan
authors.initials: S
authors.lastname: Förster
authors.affiliation: Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany ; Institut für Physik, Montanuniversität Leoben, Franz-Josef Strasse 18, Leoben 8700, Austria.
authors.forename: Oskar
authors.initials: O
authors.lastname: Paris
authors.affiliation: PETRA III, Deutsches Elektronen-Synchrotron (DESY), Notkestrasse 85, Hamburg 22607, Germany.
authors.forename: Stephan V
authors.initials: SV
authors.lastname: Roth
authors.affiliation: Department of Biomaterials, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam, Brandenbug 14476, Germany.
authors.forename: Peter
authors.initials: P
authors.lastname: Fratzl
keywords: computer programs; data analysis; data reduction; grazing-incidence small-angle X-ray scattering; small-angle X-ray scattering