68 image lysozyme dataset recorded on the Jungfrau 16M detector at SwissFEL and formatted as a NeXus file

Data provided by Meitian Wang at PSI and master file revised May 2020 for full NXmx compliance.

To create a new NeXus master file, assuming DIALS is installed in the folder $DIALS, use this command:

libtbx.python $DIALS/modules/cctbx_project/xfel/swissfel/jf16m_cxigeom2nexus.py unassembled_file=lyso009a_0087.JF07T32V01.h5 geom_file=16M_bernina_backview_optimized_adu_quads.geom wavelength=1.368479 detector_distance=97.830 mask_file=lyso009a_0087.JF07T32V01.mask.h5 nexus_details.start_time=2018-01-00T00:00:00.000 nexus_details.end_time=2018-01-00T00:00:02.720Z nexus_details.end_time_estimated=2018-01-00T00:00:02.720Z nexus_details.sample_name=Lysozyme nexus_details.total_flux=1000000000000

Some notes about the parameters:
- Geometry file is in CrystFEL format but has been realigned to group the modules hierarchically into quadrants.
- Wavelength is a single wavelength for the whole dataset, but options exist to do 1 wavelength per image, or a whole spectrum per image.
- Start and end times are example timestamps for illustration. End times are estimated for 68 frames using a 25 Hz recording rate.
- Total flux of 1e12 photons is an estimate.

View the data using DIALS: dials.image_viewer lyso009a_0087.JF07T32V01_master.h5

Process the data using DIALS, treating the images as stills, assuming 64 cores available on the system:
dials.stills_process mp.nproc=64 lyso009a_0087.JF07T32V01_master.h5 dispersion.gain=10 known_symmetry.space_group=P43212 known_symmetry.unit_cell=77,77,37,90,90,90 refinement_protocol.d_min_start=2.5

Download DIALS at dials.github.io.