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Jungfraujoch/docs/python_client/docs/IndexingSettings.md
Filip Leonarski 06949caf1a
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v1.0.0-rc.112 (#18)
This is an UNSTABLE release and not recommended for production use (please use rc.11 instead).

* jfjoch_broker: Experimental rotation (3D) indexing
* jfjoch_broker: Minor fix to error in optimizer potentially returning NaN values

Reviewed-on: #18
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-30 17:39:22 +01:00

2.8 KiB

IndexingSettings

Settings for crystallography indexing

Properties

Name Type Description Notes
algorithm IndexingAlgorithm [default to IndexingAlgorithm.FFBIDX]
fft_max_unit_cell_a float Largest unit cell to be indexed by FFT algorithm; parameter value affects execution time of FFT [default to 250]
fft_min_unit_cell_a float Smallest unit cell to be indexed by FFT algorithm; parameter value affects execution time of FFT [default to 10.0]
fft_high_resolution_a float Highest resolution of spots used for FFT algorithm; parameter value affects execution time of FFT. There is also correlation between smallest unit cell and max resolution, which need to be checked for very small systems. [default to 2.0]
fft_num_vectors int Number of search directions for the FFT algorithm; parameter value affects execution time of FFT. [default to 16384]
tolerance float Acceptance tolerance for spots after the indexing run - the larger the number, the more spots will be accepted
thread_count int Thread count for indexing algorithm
geom_refinement_algorithm GeomRefinementAlgorithm
unit_cell_dist_tolerance float Relative distance tolerance for unit cell vs. reference; Lattices outside given tolerance will be ignored [default to 0.05]
viable_cell_min_spots int Minimum number of indexed spots required for a cell to be considered viable [default to 10]
index_ice_rings bool Include spots marked as ice rings in the indexing run. If `dataset_settings` doesn't have `detect_ice_rings` on, this option will have no effect on processing. [default to False]
rotation_indexing bool [default to False]
rotation_indexing_min_angular_range_deg float [default to 20.0]
rotation_indexing_angular_stride_deg float [default to 0.5]

Example

from jfjoch_client.models.indexing_settings import IndexingSettings

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

# convert the object into a dict
indexing_settings_dict = indexing_settings_instance.to_dict()
# create an instance of IndexingSettings from a dict
indexing_settings_from_dict = IndexingSettings.from_dict(indexing_settings_dict)

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