Diffraction Experiment Toolbox
A cctbx-style toolbox to describe single-crystal diffraction experiments, where a monochromatic beam is used to illuminate a sample which is rotated during the exposure and diffraction recorded on a flat area detector.
This toolbox will include code for:
- reading image headers
- transforming contents of image header to standard (i.e. imgCIF) frame
- python models of experiment
- reading a sequence into memory using existing cctbx image reading tools in iotbx
Initially implemented to support xia2 development, dxtbx is designed to be extensible, to support other applications and to make it easy to work with other detectors, with a generic approach to reading the data files.
A paper describing how to use dxtbx, as well as documenting its development and some of its applications, was published as J. Appl. Cryst. (2014) 47, 1459-1465.