Autoprocessing

 

There are two systems for data processing on the Structural Biology beamlines:

a) Grenoble Automatic Data procEssing  (GrenADES)

b) EDNA framework Fast Processing System (EDNA Autoprocessing)

 

 

Grenoble Automatic Data procEssing  (GrenADES)

 

  1. As soon as data collection is initiated, a fast auto processing run is started which should keep up with the images as they are being collected.  The directory containing these results can be found in PROCESSED_DATA/your_image_directory_name/xds_your_run/xds_fastproc
  2. Once data collection has stopped, a full autoprocessing run is performed in all reasonable bravais lattices. 
  3. Data, where significant anomalous signal is detected, are submitted automatically to the AutoRickshaw server.  Please read related terms and conditions.

 

 

Where are my autoprocessing results?

 

The directory structure is as follows:

PROCESSED_DATA/your_image_directory_name/xds_your_run/xds_parallelproc:  top level directory for full autoprocessing.  XDS files from the indexing run are kept here

PROCESSED_DATA /your_image_directory_name/xds_your_run/xds_parallelproc/SGnumber_unit_cell_dimensions : Directory for a given space group.  there are usually many of these off of the top level directory

 

  • Assuming that your data are indexable by the autoprocessing software, you should see subdirectories appear for each possible bravais lattice (most will be the lowest symmetry space group of the Bravais lattice, with the exception of the Pointless choice )

 

 

EDNA fast autoprocessing

The EDNA automatic data processing is started automatically by mxCuBE when data is collected.  

The processing is designed to be quick and uses a sequence of XDS, XSCALE, Pointless, Aimless, Truncate and Uniquify built within the EDNA framework. XSCALE is run to produced merge and unmerged data with and without anomalous ON.

 

Space group

If a space group and a unit cell are provided in ISPyB and/or provided in mxCuBE, the integration will use this information.


 

Data output

Results of the fast processing can be found in ./PROCESSED_DATA/xds_prefix_run1_1/results/fast_processing

 

Data uploaded to ISPYB

All data processing statistics, resulting mtz files and some log files are available though the ISPYB interface.