def _calibration_processing(calibration_dir, calibration_runs, cross_correlate_params, get_det_offset_params, grouping_file_name, input_ws, instrument, offset_file, rebin_1_params, rebin_2_params): calibration_ws = input_ws if calibration_ws.getAxis(0).getUnit().unitID() != WORKSPACE_UNITS.d_spacing: calibration_ws = mantid.Rebin(InputWorkspace=input_ws, Params=rebin_1_params) calibration_ws = mantid.ConvertUnits(InputWorkspace=calibration_ws, Target="dSpacing") spectrum_list = [] for i in range(0, calibration_ws.getNumberHistograms()): try: calibration_ws.getDetector(i) except RuntimeError: pass else: spectrum_list.append(i) calibration_ws = mantid.ExtractSpectra(InputWorkspace=calibration_ws, WorkspaceIndexList=spectrum_list) rebinned = mantid.Rebin(InputWorkspace=calibration_ws, Params=rebin_2_params) cross_correlated = mantid.CrossCorrelate(InputWorkspace=rebinned, **cross_correlate_params) # Offsets workspace must be referenced as string so it can be deleted, as simpleapi doesn't recognise it as a ws offsets_ws_name = "offsets" mantid.GetDetectorOffsets(InputWorkspace=cross_correlated, GroupingFileName=offset_file, OutputWorkspace=offsets_ws_name, **get_det_offset_params) rebinned_tof = mantid.ConvertUnits(InputWorkspace=rebinned, Target="TOF") aligned = mantid.AlignDetectors(InputWorkspace=rebinned_tof, CalibrationFile=offset_file) grouping_file = os.path.join(calibration_dir, grouping_file_name) focused = mantid.DiffractionFocussing(InputWorkspace=aligned, GroupingFileName=grouping_file, OutputWorkspace=instrument._generate_output_file_name(calibration_runs) + "_grouped") print("Saved cal file to " + offset_file) common.remove_intermediate_workspace([calibration_ws, rebinned, cross_correlated, rebinned_tof, offsets_ws_name]) return focused
def create_calibration(calibration_runs, instrument, offset_file_name, grouping_file_name, calibration_dir, rebin_1_params, rebin_2_params, cross_correlate_params, get_det_offset_params): """ Create a calibration file from (usually) a ceria run :param calibration_runs: Run number(s) for this run :param instrument: The PEARL instrument object :param offset_file_name: Name of the file to write detector offset information to :param grouping_file_name: Name of grouping calibration file :param calibration_dir: Path to directory containing calibration information :param rebin_1_params: Parameters for the first rebin step (as a string in the usual format) :param rebin_2_params: Parameters for the second rebin step (as a string in the usual format) :param cross_correlate_params: Parameters for CrossCorrelate (as a dictionary PropertyName: PropertyValue) :param get_det_offset_params: Parameters for GetDetectorOffsets (as a dictionary PropertyName: PropertyValue) """ input_ws_list = common.load_current_normalised_ws_list( run_number_string=calibration_runs, instrument=instrument, input_batching=INPUT_BATCHING.Summed) input_ws = input_ws_list[0] calibration_ws = mantid.Rebin(InputWorkspace=input_ws, Params=rebin_1_params) if calibration_ws.getAxis( 0).getUnit().unitID() != WORKSPACE_UNITS.d_spacing: calibration_ws = mantid.ConvertUnits(InputWorkspace=calibration_ws, Target="dSpacing") rebinned = mantid.Rebin(InputWorkspace=calibration_ws, Params=rebin_2_params) cross_correlated = mantid.CrossCorrelate(InputWorkspace=rebinned, **cross_correlate_params) offset_file = os.path.join(calibration_dir, offset_file_name) # Offsets workspace must be referenced as string so it can be deleted, as simpleapi doesn't recognise it as a ws offsets_ws_name = "offsets" mantid.GetDetectorOffsets(InputWorkspace=cross_correlated, GroupingFileName=offset_file, OutputWorkspace=offsets_ws_name, **get_det_offset_params) rebinned_tof = mantid.ConvertUnits(InputWorkspace=rebinned, Target="TOF") aligned = mantid.AlignDetectors(InputWorkspace=rebinned_tof, CalibrationFile=offset_file) grouping_file = os.path.join(calibration_dir, grouping_file_name) focused = mantid.DiffractionFocussing( InputWorkspace=aligned, GroupingFileName=grouping_file, OutputWorkspace=instrument._generate_output_file_name(calibration_runs) + "_grouped") common.remove_intermediate_workspace([ calibration_ws, rebinned, cross_correlated, rebinned_tof, aligned, offsets_ws_name ]) return focused
def _do_silicon_calibration(self, runs_to_process, cal_file_name, grouping_file_name): create_si_ws = common._read_ws(number=runs_to_process, instrument=self) cycle_details = self._get_cycle_information(runs_to_process) instrument_version = cycle_details["instrument_version"] if instrument_version == "new" or instrument_version == "new2": create_si_ws = mantid.Rebin(InputWorkspace=create_si_ws, Params="100,-0.0006,19950") create_si_d_spacing_ws = mantid.ConvertUnits(InputWorkspace=create_si_ws, Target="dSpacing") if instrument_version == "new2": create_si_d_spacing_rebin_ws = mantid.Rebin(InputWorkspace=create_si_d_spacing_ws, Params="1.71,0.002,2.1") create_si_cross_corr_ws = mantid.CrossCorrelate(InputWorkspace=create_si_d_spacing_rebin_ws, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=1063, XMin=1.71, XMax=2.1) elif instrument_version == "new": create_si_d_spacing_rebin_ws = mantid.Rebin(InputWorkspace=create_si_d_spacing_ws, Params="1.85,0.002,2.05") create_si_cross_corr_ws = mantid.CrossCorrelate(InputWorkspace=create_si_d_spacing_rebin_ws, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=943, XMin=1.85, XMax=2.05) elif instrument_version == "old": create_si_d_spacing_rebin_ws = mantid.Rebin(InputWorkspace=create_si_d_spacing_ws, Params="3,0.002,3.2") create_si_cross_corr_ws = mantid.CrossCorrelate(InputWorkspace=create_si_d_spacing_rebin_ws, ReferenceSpectra=500, WorkspaceIndexMin=1, WorkspaceIndexMax=1440, XMin=3, XMax=3.2) else: raise NotImplementedError("The instrument version is not supported for creating a silicon calibration") common.remove_intermediate_workspace(create_si_d_spacing_ws) common.remove_intermediate_workspace(create_si_d_spacing_rebin_ws) calibration_output_path = self.calibration_dir + cal_file_name create_si_offsets_ws = mantid.GetDetectorOffsets(InputWorkspace=create_si_cross_corr_ws, Step=0.002, DReference=1.920127251, XMin=-200, XMax=200, GroupingFileName=calibration_output_path) create_si_aligned_ws = mantid.AlignDetectors(InputWorkspace=create_si_ws, CalibrationFile=calibration_output_path) grouping_output_path = self.calibration_dir + grouping_file_name create_si_grouped_ws = mantid.DiffractionFocussing(InputWorkspace=create_si_aligned_ws, GroupingFileName=grouping_output_path) del create_si_offsets_ws, create_si_grouped_ws
def _create_calibration(self, calibration_runs, offset_file_name, grouping_file_name): input_ws = common._read_ws(number=calibration_runs, instrument=self) cycle_information = self._get_cycle_information(calibration_runs) # TODO move these hard coded params to instrument specific if cycle_information["instrument_version"] == "new" or cycle_information["instrument_version"] == "new2": input_ws = mantid.Rebin(InputWorkspace=input_ws, Params="100,-0.0006,19950") d_spacing_cal = mantid.ConvertUnits(InputWorkspace=input_ws, Target="dSpacing") d_spacing_cal = mantid.Rebin(InputWorkspace=d_spacing_cal, Params="1.8,0.002,2.1") if cycle_information["instrument_version"] == "new2": cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=1063, XMin=1.8, XMax=2.1) elif cycle_information["instrument_version"] == "new": cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=943, XMin=1.8, XMax=2.1) else: cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=500, WorkspaceIndexMin=1, WorkspaceIndexMax=1440, XMin=1.8, XMax=2.1) if self._old_api_uses_full_paths: # Workaround for old API setting full paths grouping_file_path = grouping_file_name offset_file_path = offset_file_name else: offset_file_path = self.calibration_dir + offset_file_name grouping_file_path = self.calibration_dir + grouping_file_name # Ceo Cell refined to 5.4102(3) so 220 is 1.912795 offset_output_path = mantid.GetDetectorOffsets(InputWorkspace=cross_cor_ws, Step=0.002, DReference=1.912795, XMin=-200, XMax=200, GroupingFileName=offset_file_path) del offset_output_path # This isn't used so delete it to keep linters happy aligned_ws = mantid.AlignDetectors(InputWorkspace=input_ws, CalibrationFile=offset_file_path) cal_grouped_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws, GroupingFileName=grouping_file_path) common.remove_intermediate_workspace(d_spacing_cal) common.remove_intermediate_workspace(cross_cor_ws) common.remove_intermediate_workspace(aligned_ws) common.remove_intermediate_workspace(cal_grouped_ws)
def create_calibration(self, calibration_runs, offset_file_name, grouping_file_name): input_ws_list = common.load_current_normalised_ws_list( run_number_string=calibration_runs, instrument=self, input_batching=INPUT_BATCHING.Summed) input_ws = input_ws_list[0] run_details = self._get_run_details(calibration_runs) if run_details.instrument_version == "new" or run_details.instrument_version == "new2": input_ws = mantid.Rebin(InputWorkspace=input_ws, Params="100,-0.0006,19950") d_spacing_cal = mantid.ConvertUnits(InputWorkspace=input_ws, Target="dSpacing") d_spacing_cal = mantid.Rebin(InputWorkspace=d_spacing_cal, Params="1.8,0.002,2.1") if run_details.instrument_version == "new2": cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=1063, XMin=1.8, XMax=2.1) elif run_details.instrument_version == "new": cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=20, WorkspaceIndexMin=9, WorkspaceIndexMax=943, XMin=1.8, XMax=2.1) else: cross_cor_ws = mantid.CrossCorrelate(InputWorkspace=d_spacing_cal, ReferenceSpectra=500, WorkspaceIndexMin=1, WorkspaceIndexMax=1440, XMin=1.8, XMax=2.1) if self._old_api_uses_full_paths: # Workaround for old API setting full paths grouping_file_path = grouping_file_name offset_file_path = offset_file_name else: offset_file_path = os.path.join(self.calibration_dir, offset_file_name) grouping_file_path = os.path.join(self.calibration_dir, grouping_file_name) # Ceo Cell refined to 5.4102(3) so 220 is 1.912795 offset_output_path = mantid.GetDetectorOffsets( InputWorkspace=cross_cor_ws, Step=0.002, DReference=1.912795, XMin=-200, XMax=200, GroupingFileName=offset_file_path) del offset_output_path # This isn't used so delete it to keep linters happy aligned_ws = mantid.AlignDetectors(InputWorkspace=input_ws, CalibrationFile=offset_file_path) cal_grouped_ws = mantid.DiffractionFocussing( InputWorkspace=aligned_ws, GroupingFileName=grouping_file_path) common.remove_intermediate_workspace(d_spacing_cal) common.remove_intermediate_workspace(cross_cor_ws) common.remove_intermediate_workspace(aligned_ws) common.remove_intermediate_workspace(cal_grouped_ws)