4 image cytochrome dataset with per-shot spectra recorded on the Jungfrau 16M detector at SwissFEL in NeXus format
Description
Cytochrome data recorded in 2019 on the Jungfrau 16M detector recorded at SwissFEL including per-shot spectra measure each SASE pulse.
First a NeXus master file was created using scripts in cctbx.xfel:
libtbx.python `libtbx.find_in_repositories xfel`/swissfel/jf16m_cxigeom2nexus.py unassembled_file=run_000795.JF07T32V01.h5 geom_file=16M_bernina_backview_optimized_adu_quads.geom wavelength=1.3038 detector_distance=163.9 output_file=./run_000795.JF07T32V01_master_spectrum.h5 beam_file=run_000795.BSREAD.h5 include_spectra=True
Then it was sliced down to 4 images that successfully index using the attached script, sliceit.py
The file can be processed by DIALS using this command:
dials.stills_process run_000795.JF07T32V01_master_spectrum_4img.h5 indexing.phil
Where the indexing phil refers to the attached mask and refined geometry file, both produced by DIALS.
Files
Files
(132.9 MB)
Additional details
References
- Bernstein HJ et. al (2020). "Gold Standard for macromolecular crystallography diffraction data." IUCrJ 7, 784-792.