DominicOram / imginfo

Extract useful meta-data for MX data processing

imginfo

IMGINFO is a C/C++ program to extract selected items from meta-data stored in HDF5 (so-called "master") files that are necessary for processing rotational MX data - e.g. with autoPROC (which comes with it's own version of this program).

Getting Started

You will need

• a C/C++ compiler
• the HDF5 tools "h5cc" and "h5c++"
• several external libraries and plugins

This should be achievable e.g. on Ubuntu 22.04 using the following commands (in the same directory with this source code):

sudo apt-get install hdf5-helpers

wget -O bitshuffle-master.zip \
  https://github.com/kiyo-masui/bitshuffle/archive/refs/heads/master.zip
unzip bitshuffle-master.zip

wget -O HDF5Plugin-master.zip \
  https://github.com/dectris/HDF5Plugin/archive/refs/heads/master.zip
unzip HDF5Plugin-master.zip

wget -O HDF5-External-Filter-Plugins-master.zip \
  https://github.com/nexusformat/HDF5-External-Filter-Plugins/archive/refs/heads/master.zip
unzip HDF5-External-Filter-Plugins-master.zip

Compilation should then just work with

make

Running

For help see

./imginfo -h

Authors

• Clemens Vonrhein
• Claus Flensburg
• Thomas Womack
• Gerard Bricogne

See also

• autoPROC: Vonrhein, C., Flensburg, C., Keller, P., Sharff, A., Smart, O., Paciorek, W., Womack, T. & Bricogne, G. (2011). Data processing and analysis with the autoPROC toolbox. Acta Cryst. D67, 293-302.

• Bernstein, H.J., Förster, A., Bhowmick, A., Brewster, A.S., Brockhauser, S., Gelisio, L., Hall, D.R., Leonarski, F., Mariani, V., Santoni, G. and Vonrhein, C., 2020. Gold Standard for macromolecular crystallography diffraction data. IUCrJ, 7(5), pp.784-792.

License

This project is licensed under the Mozilla Public License, v. 2.0 - see the LICENSE.md file for details. © 2007-2019 Global Phasing Ltd.

Acknowledgments

• All users provides us with examples of HDF5 datasets - especially our colleagues and collaborators at various synchrotrons and beamlines.

• Our colleagues of the HDRMX group.

• All members of the Global Phasing Consortium