def test_subtract_summed_runs(self):
# Load a vanadium workspace for this test
sample_empty_number = "100"
ws_file_name = "POL" + sample_empty_number
original_ws = mantid.Load(ws_file_name)
mantid.AddSampleLog(Workspace=original_ws, LogName='gd_prtn_chrg', LogText="10.0", LogType='Number')
no_scale_ws = mantid.CloneWorkspace(InputWorkspace=original_ws, OutputWorkspace="test_subtract_sample_empty_ws")
# Subtracting from self should equal 0
returned_ws = common.subtract_summed_runs(ws_to_correct=no_scale_ws, instrument=ISISPowderMockInst(),
empty_sample_ws_string=sample_empty_number)
y_values = returned_ws.readY(0)
for i in range(returned_ws.blocksize()):
self.assertAlmostEqual(y_values[i], 0)
# Check what happens when we specify scale as a half
scaled_ws = common.subtract_summed_runs(ws_to_correct=original_ws, instrument=ISISPowderMockInst(),
scale_factor=0.75, empty_sample_ws_string=sample_empty_number)
scaled_y_values = scaled_ws.readY(0)
self.assertAlmostEqual(scaled_y_values[2], 0.20257424)
self.assertAlmostEqual(scaled_y_values[4], 0.31700152)
self.assertAlmostEqual(scaled_y_values[7], 0.35193970)
mantid.DeleteWorkspace(returned_ws)
mantid.DeleteWorkspace(scaled_ws)
def test_subtract_summed_runs(self):
# Load a vanadium workspace for this test
sample_empty_number = "100"
ws_file_name = "POL" + sample_empty_number
original_ws = mantid.Load(ws_file_name)
mantid.AddSampleLog(Workspace=original_ws,
LogName='gd_prtn_chrg',
LogText="10.0",
LogType='Number')
no_scale_ws = mantid.CloneWorkspace(
InputWorkspace=original_ws,
OutputWorkspace="test_subtract_sample_empty_ws")
# Subtracting from self should equal 0
returned_ws = common.subtract_summed_runs(
ws_to_correct=no_scale_ws,
instrument=ISISPowderMockInst(),
empty_sample_ws_string=sample_empty_number)
y_values = returned_ws.readY(0)
for i in range(returned_ws.blocksize()):
self.assertAlmostEqual(y_values[i], 0)
# Check what happens when we specify scale as a half
scaled_ws = common.subtract_summed_runs(
ws_to_correct=original_ws,
instrument=ISISPowderMockInst(),
scale_factor=0.75,
empty_sample_ws_string=sample_empty_number)
scaled_y_values = scaled_ws.readY(0)
self.assertAlmostEqual(scaled_y_values[2], 0.20257424)
self.assertAlmostEqual(scaled_y_values[4], 0.31700152)
self.assertAlmostEqual(scaled_y_values[7], 0.35193970)
mantid.DeleteWorkspace(returned_ws)
mantid.DeleteWorkspace(scaled_ws)
def test_subtract_summed_runs_throw_on_tof_mismatch(self):
# Create a sample workspace which will have mismatched TOF range
sample_ws = mantid.CreateSampleWorkspace()
ws_file_name = "100" # Load POL100
# This should throw as the TOF ranges do not match
with assertRaisesRegex(self, ValueError, "specified for this file do not have matching binning. Do the "):
common.subtract_summed_runs(ws_to_correct=sample_ws, instrument=ISISPowderMockInst(),
empty_sample_ws_string=ws_file_name)
mantid.DeleteWorkspace(sample_ws)
def test_subtract_summed_runs_throw_on_tof_mismatch(self):
# Create a sample workspace which will have mismatched TOF range
sample_ws = mantid.CreateSampleWorkspace()
mantid.AddSampleLog(Workspace=sample_ws, LogName='gd_prtn_chrg', LogText="10.0", LogType='Number')
ws_file_name = "100" # Load POL100
# This should throw as the TOF ranges do not match
with assertRaisesRegex(self, ValueError, "specified for this file do not have matching binning. Do the "):
common.subtract_summed_runs(ws_to_correct=sample_ws, instrument=ISISPowderMockInst(),
empty_sample_ws_string=ws_file_name)
mantid.DeleteWorkspace(sample_ws)
def create_van(instrument, run_details, absorb):
"""
Creates a splined vanadium run for the following instrument. Requires the run_details for the
vanadium workspace we will process and whether to apply absorption corrections.
:param instrument: The instrument object that will be used to supply various instrument specific methods
:param run_details: The run details associated with this vanadium run
:param absorb: Boolean flag whether to apply absorption corrections
:return: Processed workspace group in dSpacing (but not splined)
"""
van = run_details.vanadium_run_numbers
# Always sum a range of inputs as its a vanadium run over multiple captures
input_van_ws_list = common.load_current_normalised_ws_list(
run_number_string=van,
instrument=instrument,
input_batching=INPUT_BATCHING.Summed)
input_van_ws = input_van_ws_list[
0] # As we asked for a summed ws there should only be one returned
corrected_van_ws = common.subtract_summed_runs(
ws_to_correct=input_van_ws,
empty_sample_ws_string=run_details.empty_runs,
instrument=instrument)
# Crop the tail end of the data on PEARL if they are not capturing slow neutrons
corrected_van_ws = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=corrected_van_ws)
if absorb:
corrected_van_ws = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=corrected_van_ws)
aligned_ws = mantid.AlignDetectors(
InputWorkspace=corrected_van_ws,
CalibrationFile=run_details.offset_file_path)
focused_vanadium = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
focused_spectra = common.extract_ws_spectra(focused_vanadium)
focused_spectra = instrument._crop_van_to_expected_tof_range(
focused_spectra)
d_spacing_group, tof_group = instrument._output_focused_ws(
processed_spectra=focused_spectra,
run_details=run_details,
output_mode="mods")
_create_vanadium_splines(focused_spectra, instrument, run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
common.remove_intermediate_workspace(corrected_van_ws)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_vanadium)
common.remove_intermediate_workspace(focused_spectra)
return d_spacing_group
def test_subtract_summed_runs_throw_on_tof_mismatch(self):
# Create a sample workspace which will have mismatched TOF range
sample_ws = mantid.CreateSampleWorkspace()
mantid.AddSampleLog(Workspace=sample_ws,
LogName='gd_prtn_chrg',
LogText="10.0",
LogType='Number')
ws_file_name = "POL100" # Load POL100
empty_ws = mantid.Load(ws_file_name)
# This should throw as the TOF ranges do not match
with self.assertRaisesRegex(
ValueError,
"specified for this file do not have matching binning. Do the "
):
common.subtract_summed_runs(ws_to_correct=sample_ws,
empty_sample=empty_ws)
mantid.DeleteWorkspace(sample_ws)
def create_van(instrument, run_details, absorb):
"""
Creates a splined vanadium run for the following instrument. Requires the run_details for the
vanadium workspace we will process and whether to apply absorption corrections.
:param instrument: The instrument object that will be used to supply various instrument specific methods
:param run_details: The run details associated with this vanadium run
:param absorb: Boolean flag whether to apply absorption corrections
:return: Processed workspace group in dSpacing (but not splined)
"""
van = run_details.vanadium_run_numbers
# Always sum a range of inputs as its a vanadium run over multiple captures
input_van_ws_list = common.load_current_normalised_ws_list(run_number_string=van, instrument=instrument,
input_batching=INPUT_BATCHING.Summed)
input_van_ws = input_van_ws_list[0] # As we asked for a summed ws there should only be one returned
corrected_van_ws = common.subtract_summed_runs(ws_to_correct=input_van_ws,
empty_sample_ws_string=run_details.empty_runs,
instrument=instrument)
# Crop the tail end of the data on PEARL if they are not capturing slow neutrons
corrected_van_ws = instrument._crop_raw_to_expected_tof_range(ws_to_crop=corrected_van_ws)
if absorb:
corrected_van_ws = instrument._apply_absorb_corrections(run_details=run_details,
ws_to_correct=corrected_van_ws)
else:
# Assume that create_van only uses Vanadium runs
mantid.SetSampleMaterial(InputWorkspace=corrected_van_ws, ChemicalFormula='V')
aligned_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
CalibrationFile=run_details.offset_file_path)
focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
focused_spectra = common.extract_ws_spectra(focused_vanadium)
focused_spectra = instrument._crop_van_to_expected_tof_range(focused_spectra)
d_spacing_group, tof_group = instrument._output_focused_ws(processed_spectra=focused_spectra,
run_details=run_details)
_create_vanadium_splines(focused_spectra, instrument, run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
common.remove_intermediate_workspace(corrected_van_ws)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_vanadium)
common.remove_intermediate_workspace(focused_spectra)
return d_spacing_group
def test_subtract_summed_runs_no_current(self):
# Load a vanadium workspace for this test
sample_empty_number = "100"
ws_file_name = "POL" + sample_empty_number
original_ws = mantid.Load(ws_file_name)
ws_to_correct = mantid.CloneWorkspace(InputWorkspace=original_ws)
empty_ws = mantid.CloneWorkspace(InputWorkspace=original_ws)
empty_ws = empty_ws * 0.3
returned_ws = common.subtract_summed_runs(ws_to_correct=ws_to_correct,
empty_sample=empty_ws)
y_values = returned_ws.readY(0)
original_y_values = original_ws.readY(0)
# subtraction should be skipped leaving original values
for i in range(returned_ws.blocksize()):
self.assertAlmostEqual(y_values[i], original_y_values[i])
mantid.DeleteWorkspace(ws_to_correct)
mantid.DeleteWorkspace(empty_ws)
mantid.DeleteWorkspace(returned_ws)
def test_subtract_summed_runs(self):
# Load a vanadium workspace for this test
sample_empty_number = "100"
ws_file_name = "POL" + sample_empty_number
original_ws = mantid.Load(ws_file_name)
# add a current to ensure subtract_summed_runs gets past initial check
mantid.AddSampleLog(Workspace=original_ws,
LogName='gd_prtn_chrg',
LogText="10.0",
LogType='Number')
no_scale_ws = mantid.CloneWorkspace(InputWorkspace=original_ws)
empty_ws = mantid.CloneWorkspace(InputWorkspace=original_ws)
empty_ws = empty_ws * 0.3
returned_ws = common.subtract_summed_runs(ws_to_correct=no_scale_ws,
empty_sample=empty_ws)
y_values = returned_ws.readY(0)
original_y_values = original_ws.readY(0)
for i in range(returned_ws.blocksize()):
self.assertAlmostEqual(y_values[i], original_y_values[i] * 0.7)
mantid.DeleteWorkspace(no_scale_ws)
mantid.DeleteWorkspace(empty_ws)
mantid.DeleteWorkspace(returned_ws)
def _focus_one_ws(input_workspace, run_number, instrument,
perform_vanadium_norm, absorb, sample_details,
vanadium_path):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty and user hasn't turned empty subtraction off
if not common.runs_overlap(run_number, run_details.empty_runs
) and instrument.should_subtract_empty_inst():
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace,
instrument=instrument,
empty_sample_ws_string=run_details.empty_runs)
# Subtract a sample empty if specified
if run_details.sample_empty:
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace,
instrument=instrument,
empty_sample_ws_string=run_details.sample_empty,
scale_factor=instrument._inst_settings.sample_empty_scale)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
# Correct for absorption / multiple scattering if required
if absorb:
input_workspace = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(
InputWorkspace=input_workspace,
Geometry=common.generate_sample_geometry(sample_details),
Material=common.generate_sample_material(sample_details))
# Align
aligned_ws = mantid.AlignDetectors(
InputWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(
instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(
workspace_list=output_spectra, bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(
output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
def _focus_one_ws(ws, run_number, instrument, perform_vanadium_norm, absorb):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs
input_workspace = common.subtract_summed_runs(
ws_to_correct=ws,
instrument=instrument,
empty_sample_ws_string=run_details.empty_runs)
# Subtract a sample empty if specified
if run_details.sample_empty:
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace,
instrument=instrument,
empty_sample_ws_string=run_details.sample_empty,
scale_factor=instrument._inst_settings.sample_empty_scale)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
# Correct for absorption / multiple scattering if required
if absorb:
input_workspace = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=input_workspace)
# Align
aligned_ws = mantid.AlignDetectors(
InputWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(
instrument=instrument,
run_number=run_number,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(
workspace_list=output_spectra, bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(
output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
def _focus_one_ws(input_workspace,
run_number,
instrument,
perform_vanadium_norm,
absorb,
sample_details,
vanadium_path,
empty_can_subtraction_method,
paalman_pings_events_per_point=None):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty, user hasn't turned empty subtraction off, or
# The user has not supplied a sample empty
is_run_empty = common.runs_overlap(run_number, run_details.empty_inst_runs)
summed_empty = None
if not is_run_empty and instrument.should_subtract_empty_inst(
) and not run_details.sample_empty:
if os.path.isfile(run_details.summed_empty_inst_file_path):
logger.warning('Pre-summed empty instrument workspace found at ' +
run_details.summed_empty_inst_file_path)
summed_empty = mantid.LoadNexus(
Filename=run_details.summed_empty_inst_file_path)
else:
summed_empty = common.generate_summed_runs(
empty_sample_ws_string=run_details.empty_inst_runs,
instrument=instrument)
elif run_details.sample_empty:
scale_factor = 1.0
if empty_can_subtraction_method != 'PaalmanPings':
scale_factor = instrument._inst_settings.sample_empty_scale
# Subtract a sample empty if specified ie empty can
summed_empty = common.generate_summed_runs(
empty_sample_ws_string=run_details.sample_empty,
instrument=instrument,
scale_factor=scale_factor)
if absorb and empty_can_subtraction_method == 'PaalmanPings':
if run_details.sample_empty: # need summed_empty including container
input_workspace = instrument._apply_paalmanpings_absorb_and_subtract_empty(
workspace=input_workspace,
summed_empty=summed_empty,
sample_details=sample_details,
paalman_pings_events_per_point=paalman_pings_events_per_point)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
else:
raise TypeError(
"The PaalmanPings absorption method requires 'sample_empty' to be supplied."
)
else:
if summed_empty:
input_workspace = common.subtract_summed_runs(
ws_to_correct=input_workspace, empty_sample=summed_empty)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=input_workspace)
if absorb:
input_workspace = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(
InputWorkspace=input_workspace,
Geometry=sample_details.generate_sample_geometry(),
Material=sample_details.generate_sample_material())
# Align
mantid.ApplyDiffCal(InstrumentWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
aligned_ws = mantid.ConvertUnits(InputWorkspace=input_workspace,
Target="dSpacing")
solid_angle = instrument.get_solid_angle_corrections(
run_details.vanadium_run_numbers, run_details)
if solid_angle:
aligned_ws = mantid.Divide(LHSWorkspace=aligned_ws,
RHSWorkspace=solid_angle)
mantid.DeleteWorkspace(solid_angle)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
instrument.apply_calibration_to_focused_data(focused_ws)
calibrated_spectra = _apply_vanadium_corrections(
instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(
workspace_list=output_spectra, bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(
output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
def create_van(instrument, run_details, absorb):
"""
Creates a splined vanadium run for the following instrument. Requires the run_details for the
vanadium workspace we will process and whether to apply absorption corrections.
:param instrument: The instrument object that will be used to supply various instrument specific methods
:param run_details: The run details associated with this vanadium run
:param absorb: Boolean flag whether to apply absorption corrections
:return: Processed workspace group in dSpacing (but not splined)
"""
van = run_details.vanadium_run_numbers
# Always sum a range of inputs as its a vanadium run over multiple captures
input_van_ws_list = common.load_current_normalised_ws_list(
run_number_string=van,
instrument=instrument,
input_batching=INPUT_BATCHING.Summed)
input_van_ws = input_van_ws_list[
0] # As we asked for a summed ws there should only be one returned
instrument.create_solid_angle_corrections(input_van_ws, run_details)
if not (run_details.empty_runs is None):
summed_empty = common.generate_summed_runs(
empty_sample_ws_string=run_details.empty_runs,
instrument=instrument)
mantid.SaveNexus(Filename=run_details.summed_empty_file_path,
InputWorkspace=summed_empty)
corrected_van_ws = common.subtract_summed_runs(
ws_to_correct=input_van_ws, empty_sample=summed_empty)
# Crop the tail end of the data on PEARL if they are not capturing slow neutrons
corrected_van_ws = instrument._crop_raw_to_expected_tof_range(
ws_to_crop=corrected_van_ws)
if absorb:
corrected_van_ws = instrument._apply_absorb_corrections(
run_details=run_details, ws_to_correct=corrected_van_ws)
else:
# Assume that create_van only uses Vanadium runs
mantid.SetSampleMaterial(InputWorkspace=corrected_van_ws,
ChemicalFormula='V')
mantid.ApplyDiffCal(InstrumentWorkspace=corrected_van_ws,
CalibrationFile=run_details.offset_file_path)
aligned_ws = mantid.ConvertUnits(InputWorkspace=corrected_van_ws,
Target="dSpacing")
solid_angle = instrument.get_solid_angle_corrections(
run_details.run_number, run_details)
if solid_angle:
aligned_ws = mantid.Divide(LHSWorkspace=aligned_ws,
RHSWorkspace=solid_angle)
mantid.DeleteWorkspace(solid_angle)
focused_vanadium = mantid.DiffractionFocussing(
InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
# convert back to TOF based on engineered detector positions
mantid.ApplyDiffCal(InstrumentWorkspace=focused_vanadium,
ClearCalibration=True)
focused_spectra = common.extract_ws_spectra(focused_vanadium)
focused_spectra = instrument._crop_van_to_expected_tof_range(
focused_spectra)
d_spacing_group, tof_group = instrument._output_focused_ws(
processed_spectra=focused_spectra, run_details=run_details)
_create_vanadium_splines(focused_spectra, instrument, run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group,
tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
common.remove_intermediate_workspace(corrected_van_ws)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_vanadium)
common.remove_intermediate_workspace(focused_spectra)
return d_spacing_group
def _focus_one_ws(input_workspace, run_number, instrument, perform_vanadium_norm, absorb, sample_details,
vanadium_path):
run_details = instrument._get_run_details(run_number_string=run_number)
if perform_vanadium_norm:
_test_splined_vanadium_exists(instrument, run_details)
# Subtract empty instrument runs, as long as this run isn't an empty and user hasn't turned empty subtraction off
if not common.runs_overlap(run_number, run_details.empty_runs) and instrument.should_subtract_empty_inst():
input_workspace = common.subtract_summed_runs(ws_to_correct=input_workspace, instrument=instrument,
empty_sample_ws_string=run_details.empty_runs)
# Subtract a sample empty if specified
if run_details.sample_empty:
input_workspace = common.subtract_summed_runs(ws_to_correct=input_workspace, instrument=instrument,
empty_sample_ws_string=run_details.sample_empty,
scale_factor=instrument._inst_settings.sample_empty_scale)
# Crop to largest acceptable TOF range
input_workspace = instrument._crop_raw_to_expected_tof_range(ws_to_crop=input_workspace)
# Correct for absorption / multiple scattering if required
if absorb:
input_workspace = instrument._apply_absorb_corrections(run_details=run_details, ws_to_correct=input_workspace)
else:
# Set sample material if specified by the user
if sample_details is not None:
mantid.SetSample(InputWorkspace=input_workspace,
Geometry=common.generate_sample_geometry(sample_details),
Material=common.generate_sample_material(sample_details))
# Align
aligned_ws = mantid.AlignDetectors(InputWorkspace=input_workspace,
CalibrationFile=run_details.offset_file_path)
# Focus the spectra into banks
focused_ws = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
calibrated_spectra = _apply_vanadium_corrections(instrument=instrument,
input_workspace=focused_ws,
perform_vanadium_norm=perform_vanadium_norm,
vanadium_splines=vanadium_path)
output_spectra = instrument._crop_banks_to_user_tof(calibrated_spectra)
bin_widths = instrument._get_instrument_bin_widths()
if bin_widths:
# Reduce the bin width if required on this instrument
output_spectra = common.rebin_workspace_list(workspace_list=output_spectra,
bin_width_list=bin_widths)
# Output
d_spacing_group, tof_group = instrument._output_focused_ws(output_spectra, run_details=run_details)
common.keep_single_ws_unit(d_spacing_group=d_spacing_group, tof_group=tof_group,
unit_to_keep=instrument._get_unit_to_keep())
# Tidy workspaces from Mantid
common.remove_intermediate_workspace(input_workspace)
common.remove_intermediate_workspace(aligned_ws)
common.remove_intermediate_workspace(focused_ws)
common.remove_intermediate_workspace(output_spectra)
return d_spacing_group
