An expert system for automated reduction of X-Ray diffraction data from macromolecular crystals
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.github longer dust settling period Apr 12, 2018
Applications Compare start and end image bounds with range of found images Jul 31, 2018
Background converting print statements and other tiny changes Mar 19, 2018
Data Use preferred resolver for DOI links May 12, 2018
Decorators Add print_function import to all files, even if they don't contain pr… Mar 19, 2018
Driver Add print_function import to all files, even if they don't contain pr… Mar 19, 2018
DriverExceptions Add print_function import to all files, even if they don't contain pr… Mar 19, 2018
Experts pickle code review May 14, 2018
GUI converting print statements and other tiny changes Mar 19, 2018
Handlers Add in a few more features from CCP4ScalerA, some refactoring Sep 14, 2018
Interfaces xia2.ispyb_xml: include pipeline name in processingPrograms field Jun 13, 2018
Modules add helpful debug output Sep 20, 2018
Schema Implement dials.reindex reference reindexing for dials-full pipe Sep 14, 2018
Test Clean more clutter Sep 19, 2018
Toolkit Don't use cStringIO. It no longer exists in python 3 May 29, 2018
Wrappers Remove stray print() Sep 18, 2018
command_line Implemented dials scale for single sweep Sep 14, 2018
css dev.xia2.html: replace png images with coloured css divs Dec 7, 2015
doc/sphinx More Xia2 documentation fixes/updates Apr 13, 2018
lib use tabulate from pypi rather than our own copy (fixes #221) Apr 17, 2018
templates html output for xia2.multi_crystal_scale Jul 6, 2018
.gitignore Add expected xia2 regression test results Jul 3, 2018
.isort.cfg To sort imports: isort -y -ac -vb Oct 26, 2017
README.md clean up bare excepts, add future imports Oct 20, 2017
SConscript suspect none of this is required Aug 15, 2018
XIA2Version.py extract tests from a module Nov 4, 2017
__init__.py remove banner on DIALS side, is cleaner. Add DIALS citation though. Feb 26, 2018
conftest.py add yet another regression data fixture Sep 19, 2018
libtbx_config add mmtbx to require modules Mar 30, 2015
libtbx_refresh.py use tabulate from pypi rather than our own copy (fixes #221) Apr 17, 2018
license.txt Start cleaning clutter - from libtbx.find_clutter and libtbx.clean_cl… Jan 30, 2012
run_tests.py sort imports Mar 19, 2018

README.md

xia2

xia2 is an expert system to perform X-ray diffraction data processing on your behalf, using your software with little or no input from you. It will correctly handle multi-pass, multi-wavelength data sets as described later but it is not a data processing package. Specifically, if you use xia2 in published work please include the references for the programs it has used, which are printed at the end of the output. The system was initially written to support remote access to synchrotron facilities, however it may prove useful to anyone using MX, for example:

  • assisting new or novice users,
  • giving a second opinion to experts,
  • assisting busy users to allow them to focus on problem cases, or
  • providing reproducible processing.

The last of these may be most useful for users in a pharmaceutical setting, or people wishing to test or benchmark equipment, for example beamline scientists. In all cases however the usage of the program is the same.

Website: https://xia2.github.io
Source code: https://github.com/xia2/xia2
Support: xia2.support@gmail.com