Difference between revisions of "Cctbx.prime"

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(Step-by-step guidelines to post-refine and merge XFEL stills with prime.)
 
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prime: post-refinement and merging
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'''prime: post-refinement and merging'''
  
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Overview
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Step-by-step guidelines to post-refine and merge XFEL diffraction images. For more detail and citation, see
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This document covers the use of post-refinement and merging program, prime, which is part of the cctbx open source software. The program reads in integration results from cctbx.xfel data-processing software suite (Hattne, J et al., 2014) that processes “still” diffraction images from X-ray free-electron laser then refines scale factors, crystal orientations, unit-cell dimensions, crystal mosaicity, and energy spectral dispersion (for SASE spectrum), and merge equivalent observations using weighted sigmas and output the merged mtz file.
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Running post-refinement
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Enabling X-ray free electron laser crystallography for challenging biological systems from a limited number of crystals
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Post-refinement program is available in command line mode:
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[DOI: http://dx.doi.org/10.7554/eLife.05421]
 
   
 
   
 
>prime.postrefine input.phil
 
>prime.postrefine input.phil

Revision as of 20:46, 1 May 2015

prime: post-refinement and merging

Step-by-step guidelines to post-refine and merge XFEL diffraction images. For more detail and citation, see

Enabling X-ray free electron laser crystallography for challenging biological systems from a limited number of crystals [DOI: http://dx.doi.org/10.7554/eLife.05421]

>prime.postrefine input.phil

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