Dataset exploration (sfx.explore)

This submodule provides functions to explore and analyze crystallographic data during different steps of the process. To gather a full list of functions underneath this hood via the CLI, you can always use sfx.explore --help to print a list of accessible functions and help documents.

peak-dist

This provides information about the number of peaks detected in a stream file and provides a distribution of the amount of peaks detected per frame. Output is a png file and should be saved as such.

sfx.explore peak-dist data.stream --output peak_distribution.png --bins 50

consistent-crystals

Finds consistently indexed crystals within a stream file, plots distribution of these consecutive crystals.

sfx.explore consistent-crystals input.stream output.lst --plot dist.png