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