New software package for simple and fast analysis of SAXS Data

Now available at the PETRA III beamline P03

DPDAK Workflow

Work- and dataflow during an experiment at beamline, e.g. PETRA III at DESY, with online data analysis by DPDAK. The raw data (e.g. detector images, motor positions) are read instantly by the DPDAK framework. Depending on the used plug-ins, a resulting data set of reduced data (curves, maps, etc.) is produced and stored in a database. The results can be accessed by the user via a graphical user interface (GUI). (Credit: W. Wagermaier / P. Fratzl (MPI für Kolloid- und Grenzflächenforschung Golm))

Bright 3rd generation synchrotron sources like PETRA III at DESY enable deep insights into matter. However, the experiments performed at these facilities are producing a constantly increasing amount of data resulting in a huge number of files to be processed to finally retrieve the required results.

Therefore an efficient data processing and online analysis is becoming more and more crucial, since appropriate software for fast and bespoke data handling of such experiments is rarely available.  Furthermore it is often necessary to perform online data reduction and analysis during the measurement in order to interactively optimize the experiment.

In order to enable and facilitate the high-througput data evaluation, scientists from DESY, Max-Planck-Institut für Kolloid- und Grenzflächenforschung Golmand other institutions have developed an open source software package, called DPDAK (directly programmable data analysis kit) for experiments at microbeam and SAXS/WAXS beamlines. A detailed description and tests of this new software were published in Journal of Applied Crystallography recently.

The software package is suited for simple and fast off- and online analysis of scanning SAXS data on biological samples and microfluidic systems as well as for a comprehensive analysis of GISAXS data. The DPDAK software makes the calibration and correction of raw data, one- or two-dimensional integrations, fitting and further analysis of the data feasible, including the extraction of certain parameters.  The tests at DESY and BESSY were very successful, proving its reliability in a variety of scanning and in-situ GISAXS and SAXS investigations. The new programme is now available for all users at the beamline P03 (MiNaXS) at PETRA III.

Original publication
"A customizable software for fast reduction and analysis of large X-ray scattering data sets: applications of the new DPDAK package to small-angle X-ray scattering and grazing-incidence small-angle X-ray scattering",  G. Benecke, W. Wagermaier, C. Li, M. Schwartzkopf, G. Flucke, R. Hoerth, I. Zizak, M. Burghammer, E. Metwalli, P. Müller-Buschbaum, M. Trebbin, S. Förster, O. Paris, S. V. Roth and P. Fratzl, J. Appl. Cryst. (2014). 47, 1797-1803, (published online: 1 Oct 2014), DOI: 10.1107/S1600576714019773

DPDAK Webpage