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Content:


What is autoPROC?

  • autoPROC is a system/toolbox for automatic processing of X-Ray diffraction data (mainly MX), making use of external programs like XDS/XSCALE, CCP4, POINTLESS and AIMLESS.
  • Additional functionality is provided for topics like (among many others):
    • analysis of anisotropy (via our STARANISO package), multiple lattices
    • handling of e.g. ice-rings and multi-axis goniostats
    • automatic processing of multi-orientation, multi-wavelength, interleaved or inverse-beam datasets
    • automatic decision making regarding likely high-resolution limits
  • A large number of tools and programs are included (about 70 scripts with over 50000 lines as well as 35 additional programs with over 240000 lines of Fortran, C and C++ code).
  • Through this additional functionality and unique features, it attempts to provide an expert system for (1) high throughput and fully automated as well as (2) highly specialised and advanced data processing.
  • It is widely used within the automatic processing options at beamlines and synchrotrons worldwide, processing hundreds of datasets a day in a fully automated manner.
  • When using autoPROC or deploying it as part of your automated pipelines, please reference it as described here and provide adequate information to users.