Work-in-progress ...



Under some circumstances there might be problems in getting autoPROC to run, complete successfully or giving the expected results. Here, we try to address those issues - if this is incomplete or doesn't cover the problem you are encountering, please contact us at

The program doesn't run

To test if the program is correctly installed, run

% process -h

which should return the online help menu. Otherwise:

autoPROC doesn't work

The first thing to try: does it work with all defaults, ie.

% process -d 01 > 01.lis 2>&1      # sh/bash/ksh/zsh
  - or -
% process -d 01 >& 01.lis          # csh/tcsh

(make sure you don't have a ~/.autoPROC file with some specific settings: this will be read by every run).

A failure often manifests itself earlier on in the processing - so check the messages in standard output (01.lis in the example above) carefully: they try to give useful information.

Indexing is failing or wrong

Please first check the page about beamline-specific settings.

            % process beam="1234 5678" ...
            % process BeamCentreFrom=header:y,x ...
      % process wave=1.01234 dist=456.78 autoPROC_XdsKeyword_OSCILLATION_RANGE=1.50 ...

See also the page about beamline-settings.

I get the wrong spacegroup

Apart from the more philosophical question, what the 'correct' spacegroup is:

The scaling part crashes

Please first check the examples for scaling to see if the simplest scaling might work. It is also possible that some particularly poor data creates problems during scaling: one could try to limit the scaling initially to only a subset of images (known to show good diffraction patterns).

Results are worse than with program X

Not much we can help here - unless we get some details about