Module for MTZ file I/O and manipulation
ExperimentalData
(input_reflection_file)[source]¶Bases: object
Class to create a temporary mtz containing all the columns needed for SIMBAD from input reflection file
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Methods
add_array_to_mtz_dataset (miller_array, …) |
Function to add cctbx miller array obj to cctbx mtz dataset obj |
create_amplitude_array (intensity_array) |
Function to create a cctbx amplitude array from an cctbx intensity array |
create_anomalous_amplitude_array (…) |
Function to create a cctbx anomalous amplitude array from a cctbx anomalous intensity array |
create_anomalous_intensity_array (…) |
Function to create a cctbx anomalous intensity array from a cctbx anomalous amplitude array |
create_intensity_array (amplitude_array) |
Function to create a cctbx intensity array from a cctbx amplitude array |
create_merged_intensity_array (…) |
Function to create a cctbs intensity array from a cctbx anomalous intensity array |
create_reconstructed_amplitude_array (…) |
Function to create a cctbx reconstructed amplitude array from a cctbx anomalous amplitude array |
get_array_types (all_miller_arrays) |
Function to check array types contained within cctbx obj |
output_mtz (output_mtz_file) |
Function to output an mtz file from processed miller arrays |
process_miller_arrays () |
Function to process the miller arrays needed for SIMBAD |
add_array_to_mtz_dataset
(miller_array, column_root_label)[source]¶Function to add cctbx miller array obj to cctbx mtz dataset obj
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create_amplitude_array
(intensity_array)[source]¶Function to create a cctbx amplitude array from an cctbx intensity array
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create_anomalous_amplitude_array
(anomalous_intensity_array)[source]¶Function to create a cctbx anomalous amplitude array from a cctbx anomalous intensity array
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create_anomalous_intensity_array
(anomalous_amplitude_array)[source]¶Function to create a cctbx anomalous intensity array from a cctbx anomalous amplitude array
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create_intensity_array
(amplitude_array)[source]¶Function to create a cctbx intensity array from a cctbx amplitude array
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create_merged_intensity_array
(anomalous_intensity_array)[source]¶Function to create a cctbs intensity array from a cctbx anomalous intensity array
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create_reconstructed_amplitude_array
(anomalous_amplitude_array)[source]¶Function to create a cctbx reconstructed amplitude array from a cctbx anomalous amplitude array
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get_array_types
(all_miller_arrays)[source]¶Function to check array types contained within cctbx obj
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output_mtz
(output_mtz_file)[source]¶Function to output an mtz file from processed miller arrays
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process_miller_arrays
()[source]¶Function to process the miller arrays needed for SIMBAD
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