Published August 17, 2022 | Version v3

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

  • 1. LBL
  • 2. PSI
  • 3. Ronin Institute

Description

This is a 4 image lysozyme datasets derived from https://doi.org/10.5281/zenodo.3352357.  The specific 4 images are able to be processed by the software package DIALS using commands in the linked dataset above.  The images were rounded to integer and compressed to save file space using this script:

import shutil, h5py
import numpy as np

shutil.copyfile('../lyso009a_0087.JF07T32V01_master.h5', 'lyso009a_0087.JF07T32V01_master_4img.h5')
h5 = h5py.File('lyso009a_0087.JF07T32V01_master_4img.h5', 'r+')

data = h5["entry/data/data"][()]
del h5["entry/data/data"]
h = h5["entry/data"]
subset = data[5:9].astype(np.int32)
h.create_dataset("data", subset.shape, subset.dtype, subset, compression="gzip", compression_opts=9)

h5.close()

The .expt file was created by dials.import and is useful for regression testing in DIALS.

Files

Files (95.6 MB)

Name Size Download all
md5:f0745b78f4980353a246ada24ba661c0
94.9 MB Download
md5:2dbb446f7e5667d346f5d944ba29e5ff
702.1 kB Download

Additional details

Related works

Is derived from
Dataset: 10.5281/zenodo.3352357 (DOI)

References

  • Bernstein HJ et. al (2020). "Gold Standard for macromolecular crystallography diffraction data." IUCrJ 7, 784-792.