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XRD strain analysis package. Efficient analysis and visulisation of diffraction data.

Project Description

PyXe is a package developed to address bottlenecks in the diffraction-strain analysis workflow. It is vital that X-ray diffraction data acquired during synchrotron beamtimes is analysed in as close to real time as is possible. This allows for a tight feedback loop and ensures that decisions regarding acquisition and experimental parameters are optimized.

The pyXe package therefore aims to allow for the efficient analysis and visualization of diffraction data acquired from these large scale facilities. It achieves this through the extraction of strain from individual peaks (i.e. not a Reitveld type refinement). Peak fitting routines can be run over 1D, 2D and 3D data sets. Peaks and strain are extracted as a function of azimuthal position (either detector position or caking angle). The resultant strain data is then further interrogated to facilitate the calculation of principal and shear strains. Analysed data is stored in the hdf5 file format and can be easily reloaded and visualised.

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