Untangle is a program designed to separate overlapping diffraction patterns from a set of crystals with slightly different orientations. At present, the program can read x files from the HKL Package and CCP4 MTZ files. It can output data files from which the offending reflections have been removed. A case study for a dataset from an aggregate with three dominant subcrystals can be found here.


The program archive includes HTML documentation, which you can also browse on-line.

Downloads and Setup

The current version is 0.7 and is available as a gzipped tar archive or a ZIP file, licensed under the GPL (version 2). Untangle consists of number of Python modules, which should be kept together in one directory.

Most of the functionality does not require any setting up. However, reading MTZ files requires the Computationals Crystallography Toolbox to be installed.