Inspecting Processing Results using EXI
EXI provides an interface to the data collection logs and the results from automated data processing pipelines launched after a data collection is complete. To access these records, follow the link to the processing run provided in MXCuBE3 or follow these directions to log in to EXI on a browser window and select you current proposal number. Click on the following links for directions to inspect the processing results.
When you log in to EXI and select a proposal you will be directed to the table of sessions for that proposal. By default, they will be ordered in inverse order of creation, i.e. the most recent session will be listed first. Click on the date to access all the data collections in the session.
- The data collections for a session are displayed in inverse order of creation. You can also filter the list per container or display a brief summary by using the icons top left of the screen. The list shows a brief summary of the experiment parameters, an image snapshot (this will be weak for small oscillation angles) a crystal snapshot (if they have been collected) and a plot of the mean I/sigmaI as a function of resolution.
- For a given collection you can click on the Beamline parameters, Data collection or Sample buttons to see additional information on the experimental parameters and beamline status during data collection.
- To look at the autoprocessing results, click on Last collect results. This shows a summary of the processing results for different pipelines results. Clicking on the name of the pipeline will access some plots and log and results files generated during data processing. You can click on the files to display the contents or, if you are browsing from your own computer, you can also download the files.
Note: The data processing results are displayed on a browser tab. The easiest way to go back to the data collection list is to return to the original tab
- If you have measured energy scans and XRF spectra for a sample, click on Energy scan or Fluorescence spectra buttons to display the resulting scan plots and analysis.
If you would like to look at the results on disk, change the directory to /data/visitors/biomax/’proposal’/’date’ . This directory should be visible to any person listed in the proposal from any beamline computer or data processing HPC cluster. Under there, go to the process subdirectory and select the relevant subdirectories for the protein and crystal data group. The results are stored under the directories of the form xds_’crystal_’protein’_’run’_’point’ and are grouped by pipeline. If there are no results, look at the EDNA_’pid’.err file (it is always named EDNA regardless of the pipeline) to see the error. If in doubt what the error means, consult with the beamline staff.
Note that, even if the pipeline completes, you may be able to get better results if you process the data manually either at home or MAX IV. The XDS.INP file that can be found in each process subdirectory for each data set is a good starting point to rerun XDS with the same or different options. Please see the documentation on manual data reduction for more help on this topic.