All checks were successful
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 8m53s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 9m40s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 8m25s
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 8m17s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 9m5s
Build Packages / Generate python client (push) Successful in 34s
Build Packages / Build documentation (push) Successful in 42s
Build Packages / Create release (push) Has been skipped
Build Packages / build:rpm (rocky8) (push) Successful in 8m35s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 8m2s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 8m40s
Build Packages / build:rpm (rocky9) (push) Successful in 9m14s
Build Packages / Unit tests (push) Successful in 1h15m9s
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>
2.8 KiB
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)