Takes the XML metadata from an EPU session that used AFIS (Aberration Free Image Shift) for faster acquisition and organizes the collected micrograph movies into RELION Optics Groups. In RELION version 3.1 where these groups were introduced they can be used to further reduce the effects of high-order aberrations on the data induced by collecting using large amounts of beam-image shift.
There is a Notebook here that goes through how the processing is done and then a script that is for actual processing.
It should be consistent across older versions of Python, but this was what I tested it using:
- Python (Version >= 3.7.6)
- numpy (Version >= 1.18.1)
- scikit-learn (Version >= 0.22.1)
- matplotlib (Version >= 3.1.3)
usage: EPU_Group_AFIS.py [-h] --xml_dir XML_DIR [--n_clusters N_CLUSTERS]
[--apix APIX] [--mtf_fn MTF_FN] [--voltage VOLTAGE]
[--cs CS] [--q0 Q0] [--ftype FTYPE]
[--movie_dir MOVIE_DIR] [--output_fn OUTPUT_FN]
[--quiet]
Create Optics Groups from EPU AFIS data
optional arguments:
-h, --help show this help message and exit
--xml_dir XML_DIR, -i XML_DIR
Path to directory with EPU record metadata XML files.
[REQUIRED]
--n_clusters N_CLUSTERS, -n N_CLUSTERS
Number of Optics Groups (1 = interactively choose. [1]
--apix APIX Pixel size of micrographs. [1.00]
--mtf_fn MTF_FN Path to MTF STAR file. [MTF.star]
--voltage VOLTAGE Voltage of micrscope in keV. [300.0]
--cs CS Spherical Aberration of objective lens in mm. [2.7]
--q0 Q0 Fraction of amplitude contrast [0 - 1]. [0.1]
--ftype FTYPE Filetype of micrograph movies. [mrc]
--movie_dir MOVIE_DIR, -d MOVIE_DIR
Path to directory with micrograph movies. [.]
--output_fn OUTPUT_FN, -o OUTPUT_FN
Path to output STAR file. [movies.star]
--quiet, -q Run non-interactively with no plotting. [False]
Writted by Dustin Morado 20.06.2020
Distributed under the MIT License please see LICENSE.txt for more information.