Python interface update
Various updates to Python interface to include peak set merging and computation of quality metrics.
- Added computation of quality metrics to
Experiment
, along with associated data structures - Improved
autoindex.py
to iterate over a parameter to find values that will work - Updated
workflow.py
andexperiment.py
to include data merging and quality metric calculation - Fixed a bug in which the reference cell is instantiated with angles in the wrong units.
- Added a logger to the python scripts via
logging
library.