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EMC-for-SMX

This program is designed to reconstruct the Bragg intensities from serial microcrystallography (SMX) data collected at storage ring synchrotron sources using the expand-maximize-compress (EMC) algorithm.

Our program reconstructs the 3D crystal intensity distribution using all the data frames simultaneously without requiring individual data frames to be able to be oriented by normal indexing methods.

The program was written in C and Python, with cbf as the default input data format. It is executed on Linux using the MPI parallelization framework. The required packages include:

  • Requirements for C: gcc, OpenMPI and OpenSSL.
  • Requirements for Python: Python2.7, NumPy, Matplotlib and FabIO.
  • Git, X Window System.

See the wiki page for the execution details.

Send comments, bug reports, etc. to Ti-Yen Lan ([email protected]).

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  • C 87.7%
  • Python 9.3%
  • Cuda 2.0%
  • Other 1.0%