File Manipulation (sfx.manip)

This submodule provides tools to manipulate and change files, rather than either exploring them for data analysis or comparing them against each other. To gather a full list of functions underneath this hood via the CLI, you can always use sfx.manip --help to print a list of accessible functions and help documents.

crystfel-to-meteor

Crystfel and meteor use different data in the creation of their difference maps. Crystfel uses intensities while meteor used amplitudes. This function provides a wrapped around a french-wilson to change these crystfel intensities to amplitudes useable by meteor. As mentioned previously in the meteor section of the documentation, this is done with

for i in *_crystfel.mtz; do sfx.manip crystfel-to-meteor $i; done

sample-crystals

Sample-crystals intakes a data.stream file and outputs a file with randomly downsampled crystals. You can either provide a number of crystals you would like out or a percentage of total crystals indexed.

sfx.manip sample-crystals data.stream output.stream --count 40000 --seed 2026

Which will write out a 40,000 crystal file to output.stream (assuming you have as many crystals)