LaueUtil

LaueUtil

About

LaueUtil toolkit is a suite of programs for processing datasets from pump-probe single-crystal Laue X-ray diffraction photo-crystallography experiments.

Currently, the software is compatible (data formats, experiment geometry assumptions) with the data from BioCARS ID 14 beamline at the Advanced Photon Source, Argonne National Laboratory.

LaueUtil is licensed under University at Buffalo Public License UBPL 1.0

Capabilities

• detection of diffraction spots
• spot integration (including optimizations for the ratio method)
• indexing (orientation matrix determination and hkl-assignment)

Documentation

Methods and algorithms are described in:

The LaueUtil toolkit for Laue Photocrystallography: I. Rapid orientation matrix determination for intermediate size unit-cell Laue data. J. Kalinowski, A. Makal and P. Coppens, J. Appl. Cryst. 44, 1182-1189 2011 (pdf)

The LaueUtil toolkit for Laue Photocrystallography: II. Spot finding and integration. J. Kalinowski, B. Fournier, A. Makal, and P. Coppens, J. Synchrotron Radiat., 19, 637-646 2012 (pdf)

There is also an initial users guide.