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beambusters library to refine the detector center for crystallography data processing.
beambusters library. Python library to refine the detector center of diffraction patterns.
For more information, see: https://github.com/anananacr/beambusters
Python 3.10
pip install bblib
To utilize the methods CenterOfMass
, FriedelPairs
, MinimizePeakFWHM
and CircleDetection
it is required to have two configuration dictionaries, one for PeakFinder8 and another one for this library itself. The following snippet shows the general structure for both (parameters not used in your case can be omitted):
config = {
"plots_flag": ...,
"search_radius": ...,
"pf8": {
"max_num_peaks": ...,
"adc_threshold": ...,
"minimum_snr": ...,
"min_pixel_count": ...,
"max_pixel_count": ...,
"local_bg_radius": ...,
"min_res": ...,
"max_res": ...
},
"offset": {
"x": ...,
"y": ...
},
"peak_region":{
"min": ...,
"max": ...
},
"canny":{
"sigma": ...,
"low_threshold": ...,
"high_threshold": ...
},
"bragg_peaks_positions_for_center_of_mass_calculation": ...,
"pixels_for_mask_of_bragg_peaks": ...,
"polarization": {
"apply_polarization_correction": ...,
"axis": ...,
"value": ...
}
}
PF8Info = {
"max_num_peaks":
"adc_threshold":
"minimum_snr": ...,
"min_pixel_count": ...,
"max_pixel_count": ...,
"local_bg_radius": ...,
"min_res": ...,
"max_res": ...,
"pf8_detector_info": ...,
"bad_pixel_map_filename": ...,
"bad_pixel_map_hdf5_path": ...,
"pixel_maps": ...,
"pixel_resolution": ...,
"_shifted_pixel_maps":...
}
The pf8_detector_info
parameter is a dictionary containing the detector layout information:
pf8_detector_info = {
"asic_nx": ...,
"asic_ny": ...,
"nasics_x": ...,
"nasics_y": ...
}
The pixel_maps
parameter is a dictionary containing the pixel maps numpy array:
pixel_maps = {
"x": ...,
"y": ...,
"z": ...,
"radius": ...,
"phi": ...
}
The methods FriedelPairs
, MinimizePeakFWHM
and CircleDetection
need a plots_info
parameter if you want to save plots:
plots_info = {
"file_name": ...,
"folder_name": ...,
"root_path": ...,
"value_auto": ...,
"value_max": ...,
"value_min": ...,
"axis_lim_auto": ...,
"xlim_min": ...,
"xlim_max": ...,
"ylim_min": ...,
"ylim_max": ...,
"color_map": ...,
"marker_size": ...
}
To calculate the refined detector center of raw data frame as a numpy array using the following methods:
from bblib.methods import CenterOfMass
center_of_mass_method = CenterOfMass(config=config, PF8Config=PF8Config, plots_info=plots_info)
center_coordinates_from_center_of_mass = center_of_mass_method(
data = ...
)
from bblib.methods import CircleDetection
circle_detection_method = CircleDetection(config=config, PF8Config=PF8Config, plots_info=plots_info)
center_coordinates_from_circle_detection = circle_detection_method(
data = ...
)
The FriedelPairs
and MinimizePeakFWHMmethod
need an initial guess for the refined detector center coordinates initial_guess = [x_0, y_0]
from bblib.methods import MinimizePeakFWHM
minimize_peak_fwhm_method = MinimizePeakFWHM(
config=config, PF8Config=PF8Config, plots_info=plots_info
)
center_coordinates_from_minimize_peak_fwhm = minimize_peak_fwhm_method(
data = ..., initial_guess = ...
)
from bblib.methods import FriedelPairs
friedel_pairs_method = FriedelPairs(
config=config, PF8Config=PF8Config, plots_info=plots_info
)
center_coordinates_from_friedel_pairs = friedel_pairs_method(
data = ..., initial_guess= ...
)
Ana Carolina Rodrigues (2021 - 2024)
Email: sc.anarodrigues@gmail.com
FAQs
beambusters library to refine the detector center for crystallography data processing.
We found that bblib demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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