TY - JOUR
T1 - A customizable software for fast reduction and analysis of large X-ray scattering data sets
T2 - Applications of the new DPDAK package to small-angle X-ray scattering and grazing-incidence small-angle X-ray scattering
AU - Benecke, Gunthard
AU - Wagermaier, Wolfgang
AU - Li, Chenghao
AU - Schwartzkopf, Matthias
AU - Flucke, Gero
AU - Hoerth, Rebecca
AU - Zizak, Ivo
AU - Burghammer, Manfred
AU - Metwalli, Ezzeldin
AU - Müller-Buschbaum, Peter
AU - Trebbin, Martin
AU - Förster, Stephan
AU - Paris, Oskar
AU - Roth, Stephan V.
AU - Fratzl, Peter
N1 - Publisher Copyright:
© 2014 International Union of Crystallography.
PY - 2014/10
Y1 - 2014/10
N2 - 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 of DPDAK for 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 of DPDAK and the possibilities and limitations are discussed.
AB - 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 of DPDAK for 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 of DPDAK and the possibilities and limitations are discussed.
KW - computer programs
KW - data analysis
KW - data reduction
KW - grazing-incidence small-angle X-ray scattering
KW - small-angle X-ray scattering
UR - http://www.scopus.com/inward/record.url?scp=84907500305&partnerID=8YFLogxK
U2 - 10.1107/S1600576714019773
DO - 10.1107/S1600576714019773
M3 - Article
AN - SCOPUS:84907500305
SN - 0021-8898
VL - 47
SP - 1797
EP - 1803
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
IS - 5
ER -