def generate_solid_angle_corrections(self, run_details):
solid_angle_vanadium_ws = common.load_current_normalised_ws(run_number_string=run_details.vanadium,
instrument=self)
corrections = _calculate_solid_angle_efficiency_corrections(solid_angle_vanadium_ws)
mantid.SaveNexusProcessed(InputWorkspace=corrections, Filename=run_details.solid_angle_corr)
common.remove_intermediate_workspace(solid_angle_vanadium_ws)
return corrections
def create_van(instrument, van, empty, output_van_file_name, num_of_splines, absorb, gen_absorb):
input_van_ws = common.load_current_normalised_ws(run_number_string=van, instrument=instrument)
corrected_van_ws = common.subtract_sample_empty(ws_to_correct=input_van_ws, empty_sample_ws_string=empty,
instrument=instrument)
common.remove_intermediate_workspace(input_van_ws)
run_details = instrument._get_run_details(run_number=van)
corrected_van_ws = instrument. _apply_van_calibration_tof_rebinning(vanadium_ws=corrected_van_ws,
tof_rebin_pass=1, return_units="TOF")
corrected_van_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
CalibrationFile=run_details.calibration)
corrected_van_ws = instrument.apply_solid_angle_efficiency_corr(ws_to_correct=corrected_van_ws,
run_details=run_details)
if absorb:
corrected_van_ws = _apply_absorb_corrections(instrument=instrument,
run_details=run_details,
corrected_van_ws=corrected_van_ws, gen_absorb=gen_absorb)
focused_van_file = mantid.DiffractionFocussing(InputWorkspace=corrected_van_ws,
GroupingFileName=run_details.grouping)
# Optional
focused_van_file = instrument. _apply_van_calibration_tof_rebinning(vanadium_ws=focused_van_file,
tof_rebin_pass=2, return_units="dSpacing")
common.remove_intermediate_workspace(corrected_van_ws)
cycle_information = instrument._get_run_details(run_number=van)
splined_ws_list = instrument._spline_background(focused_van_file, num_of_splines,
cycle_information.instrument_version)
# Figure out who will provide the path name
if instrument._PEARL_filename_is_full_path():
out_van_file_path = output_van_file_name
elif output_van_file_name:
# The user has manually specified the output file
out_van_file_path = os.path.join(instrument.calibration_dir, output_van_file_name)
elif run_details.splined_vanadium:
out_van_file_path = run_details.splined_vanadium
else:
raise ValueError("The output name must be manually specified for this instrument/run")
append = False
for ws in splined_ws_list:
mantid.SaveNexus(Filename=out_van_file_path, InputWorkspace=ws, Append=append)
common.remove_intermediate_workspace(ws)
append = True
output_ws = mantid.LoadNexus(Filename=out_van_file_path, OutputWorkspace="Van_data")
return output_ws
def _run_focus(instrument, run_number, perform_attenuation, perform_vanadium_norm):
# Read
read_ws = common.load_current_normalised_ws(run_number_string=run_number, instrument=instrument)
input_workspace = instrument._do_tof_rebinning_focus(read_ws) # Rebins for PEARL
run_details = instrument._get_run_details(run_number=run_number)
# Check the necessary splined vanadium file has been created
if not os.path.isfile(run_details.splined_vanadium):
raise ValueError("Processed vanadium runs not found at this path: "
+ str(run_details.splined_vanadium) +
" \n\nHave you created a vanadium calibration with these settings yet?")
# Compensate for empty sample if specified
input_workspace = common.subtract_sample_empty(ws_to_correct=input_workspace, instrument=instrument,
empty_sample_ws_string=run_details.sample_empty)
# Align / Focus
input_workspace = mantid.AlignDetectors(InputWorkspace=input_workspace,
CalibrationFile=run_details.calibration)
input_workspace = instrument.apply_solid_angle_efficiency_corr(ws_to_correct=input_workspace,
run_details=run_details)
focused_ws = mantid.DiffractionFocussing(InputWorkspace=input_workspace,
GroupingFileName=run_details.grouping)
# Process
rebinning_params = instrument.calculate_focus_binning_params(sample=focused_ws)
calibrated_spectra = _divide_sample_by_vanadium(instrument=instrument, run_number=run_number,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm)
_apply_binning_to_spectra(spectra_list=calibrated_spectra, binning_list=rebinning_params)
# Output
processed_nexus_files = instrument._process_focus_output(calibrated_spectra, run_details=run_details,
attenuate=perform_attenuation)
# Tidy
common.remove_intermediate_workspace(read_ws)
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(focused_ws)
for ws in calibrated_spectra:
common.remove_intermediate_workspace(ws)
pass
return processed_nexus_files
def _do_silicon_calibration(self, runs_to_process, cal_file_name, grouping_file_name):
# TODO fix all of this as the script is too limited to be useful
create_si_ws = common.load_current_normalised_ws(run_number_string=runs_to_process, instrument=self)
cycle_details = self._get_label_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.load_current_normalised_ws(run_number_string=calibration_runs, instrument=self)
cycle_information = self._get_label_information(calibration_runs)
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 = 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)
