Jungfraujoch/docs/python_client/docs/RugnuxLiveRefinement.md

RugnuxLiveRefinement

The placed model refined against the merge it was placed on, as the report's REFINE_ keys state it. Set where a placed model was refined or its refinement failed; absent where the model was not placed or refinement was skipped. On a machine without a GPU it runs on the CPU, slower, and the run's deadline or cancel can cut it.

Properties

Name	Type	Description	Notes
performed	bool	Refinement ran; false with `reason` where it failed
cancelled	bool	The deadline or a cancel cut the refinement short: the weight trials that ran were chosen among, the rest left out (cut before the first, the model is the placement's)
reason	str	Why refinement did not run to the end; empty otherwise
on_gpu	bool
seconds	float	Wall time of the refinement
r_work	float	R-work of the refined model (after the restrained stage, else after the rigid body and grouped B)	[optional]
r_free	float	R-free of the refined model, on the same reflections as `r_work`	[optional]
rmsd_bonds_a	float	RMS deviation of the bond lengths from the dictionary, where the restrained stage ran	[optional]
rmsd_angles_deg	float	RMS deviation of the bond angles from the dictionary, where the restrained stage ran	[optional]
blob_count	int	Unexplained blobs of the refined model's mFo-DFc map (above 3 sigma, peaking above 4)
blobs	List[RugnuxLiveBlob]	The strongest blobs, at most 50, strongest first

Example

from jfjoch_client.models.rugnux_live_refinement import RugnuxLiveRefinement

# TODO update the JSON string below
json = "{}"
# create an instance of RugnuxLiveRefinement from a JSON string
rugnux_live_refinement_instance = RugnuxLiveRefinement.from_json(json)
# print the JSON string representation of the object
print(RugnuxLiveRefinement.to_json())

# convert the object into a dict
rugnux_live_refinement_dict = rugnux_live_refinement_instance.to_dict()
# create an instance of RugnuxLiveRefinement from a dict
rugnux_live_refinement_from_dict = RugnuxLiveRefinement.from_dict(rugnux_live_refinement_dict)

[Back to Model list] [Back to API list] [Back to README]