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Processing two-dimensional X-ray diffraction and small-angle scattering data in <i>DAWN 2</i>

Jacob FilikDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKAlun AshtonDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKPeter ChangDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKPhilip A. ChaterDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKSarah J. DayDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKMichael DrakopoulosDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKMatthew GerringDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKMichael HartDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKOxana V. MagdysyukDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKŠ. MichalikDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKAndrew J. SmithDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKChiu C. TangDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKNicholas J. TerrillDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKMichael T. WharmbyDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UKH. WilhelmDiamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK
2017en
ABI

Abstract

A software package for the calibration and processing of powder X-ray diffraction and small-angle X-ray scattering data is presented. It provides a multitude of data processing and visualization tools as well as a command-line scripting interface for on-the-fly processing and the incorporation of complex data treatment tasks. Customizable processing chains permit the execution of many data processing steps to convert a single image or a batch of raw two-dimensional data into meaningful data and one-dimensional diffractograms. The processed data files contain the full data provenance of each process applied to the data. The calibration routines can run automatically even for high energies and also for large detector tilt angles. Some of the functionalities are highlighted by specific use cases.

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Cited by 30 references