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https://github.com/anananacr/serialx-manaca

Automatic data processing pipeline for Serial Crystallography on Manacá beamline (Sirius, LNLS, Brazil). Scripts communicates with CrystFEL packages and handle snapshot/still-diffraction images.

https://github.com/anananacr/serialx-manaca

Science Score: 26.0%

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Repository

Automatic data processing pipeline for Serial Crystallography on Manacá beamline (Sirius, LNLS, Brazil). Scripts communicates with CrystFEL packages and handle snapshot/still-diffraction images.

Basic Info
  • Host: GitHub
  • Owner: anananacr
  • Language: Python
  • Default Branch: main
  • Homepage:
  • Size: 18.7 MB
Statistics
  • Stars: 1
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created over 4 years ago · Last pushed about 2 years ago
Metadata Files
Readme

README.md

Serial crystallography at Manacá

Automatic data processing pipeline for Serial Crystallography on Manacá beamline (Sirius, LNLS, Brazil). Scripts communicates with CrystFEL[1] packages and handle snapshot/still-diffraction images.

  • Python 3.8.12
  • CrystFEL: 0.10.1

Tested on dataset referenced in Crystfel's tutorial (0.10.1) https://gitlab.desy.de/thomas.white/crystfel/-/blob/3619f795/doc/articles/tutorial.rst

Commands:

  • First, edit proc_config.py with your correct parameters

python3 runcrystfel.py -m indexnocell>out.txt&

python3 runcrystfel.py -m index_all>out.txt&

python3 runcrystfel.py -m merge_all>out.txt&

python3 runcrystfel.py -m fom_plots

python3 runcrystfel.py -m export_mtz

References: 1. T. A. White, R. A. Kirian, A. V. Martin, A. Aquila, K. Nass, A. Barty and H. N. Chapman. "CrystFEL: a software suite for snapshot serial crystallography". J. Appl. Cryst. 45 (2012), p335–341. doi:10.1107/S0021889812002312

Owner

  • Name: Ana Carolina Rodrigues
  • Login: anananacr
  • Kind: user
  • Location: Hamburg, Germany
  • Company: CFEL - DESY

PhD student in Physics.

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