def _spline_old_background(in_workspace):
van_stripped = mantid.ConvertUnits(InputWorkspace=in_workspace, Target="dSpacing")
# remove bragg peaks before spline
van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=0)
van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=2)
van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=15, Tolerance=6, WorkspaceIndex=3)
van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=40, Tolerance=12, WorkspaceIndex=1)
van_stripped = mantid.StripPeaks(InputWorkspace=van_stripped, FWHM=60, Tolerance=12, WorkspaceIndex=1)
# Mask low d region that is zero before spline
for reg in range(0, 4):
if reg == 1:
van_stripped = mantid.MaskBins(InputWorkspace=van_stripped, XMin=0, XMax=0.14, SpectraList=reg)
else:
van_stripped = mantid.MaskBins(InputWorkspace=van_stripped, XMin=0, XMax=0.06, SpectraList=reg)
van_stripped = mantid.ConvertUnits(InputWorkspace=van_stripped, Target="TOF")
splined_ws_list = []
for i in range(0, 4):
out_ws_name = "spline" + str(i+1)
if i == 1:
coeff = 80
else:
coeff = 100
splined_ws_list.append(mantid.SplineBackground(InputWorkspace=van_stripped, OutputWorkspace=out_ws_name,
WorkspaceIndex=i, NCoeff=coeff))
common.remove_intermediate_workspace(van_stripped)
return splined_ws_list
def _spline_new_background(in_workspace, num_splines, instrument_version):
# Remove bragg peaks before spline
alg_range, unused = _get_instrument_ranges(instrument_version)
van_stripped = _strip_peaks_new_inst(in_workspace, alg_range)
van_stripped = mantid.ConvertUnits(InputWorkspace=van_stripped, Target="TOF")
splined_ws_list = _perform_spline_range(instrument_version, num_splines, van_stripped)
common.remove_intermediate_workspace(van_stripped)
return splined_ws_list
def _run_attenuate_workspace(self, input_workspace):
if self._old_atten_file is None: # For old API support
attenuation_path = self._attenuation_full_path
else:
attenuation_path = self._old_atten_file
wc_attenuated = mantid.PearlMCAbsorption(attenuation_path)
wc_attenuated = mantid.ConvertToHistogram(InputWorkspace=wc_attenuated, OutputWorkspace=wc_attenuated)
wc_attenuated = mantid.RebinToWorkspace(WorkspaceToRebin=wc_attenuated, WorkspaceToMatch=input_workspace,
OutputWorkspace=wc_attenuated)
pearl_attenuated_ws = mantid.Divide(LHSWorkspace=input_workspace, RHSWorkspace=wc_attenuated)
common.remove_intermediate_workspace(workspace_name=wc_attenuated)
return pearl_attenuated_ws
def _spline_new2_background(in_workspace, num_splines, instrument_version):
# remove bragg peaks before spline
alg_range, unused = _get_instrument_ranges(instrument_version)
van_stripped_ws = _strip_peaks_new_inst(in_workspace, alg_range)
# run twice on low angle as peaks are very broad
for i in range(0, 2):
van_stripped_ws = mantid.StripPeaks(InputWorkspace=van_stripped_ws, FWHM=100, Tolerance=10,
WorkspaceIndex=12)
van_stripped_ws = mantid.StripPeaks(InputWorkspace=van_stripped_ws, FWHM=60, Tolerance=10,
WorkspaceIndex=13)
van_stripped_ws = mantid.ConvertUnits(InputWorkspace=van_stripped_ws, Target="TOF")
splined_ws_list = _perform_spline_range(instrument_version, num_splines, van_stripped_ws)
common.remove_intermediate_workspace(van_stripped_ws)
return splined_ws_list
def _run_get_monitor(self, run_number, input_dir, spline_terms):
load_monitor_ws = common._load_monitor(run_number, input_dir=input_dir, instrument=self)
get_monitor_ws = mantid.ConvertUnits(InputWorkspace=load_monitor_ws, Target="Wavelength")
common.remove_intermediate_workspace(load_monitor_ws)
lmin, lmax = self._get_lambda_range()
get_monitor_ws = mantid.CropWorkspace(InputWorkspace=get_monitor_ws, XMin=lmin, XMax=lmax)
ex_regions = numpy.zeros((2, 4))
ex_regions[:, 0] = [3.45, 3.7]
ex_regions[:, 1] = [2.96, 3.2]
ex_regions[:, 2] = [2.1, 2.26]
ex_regions[:, 3] = [1.73, 1.98]
# ConvertToDistribution(works)
for reg in range(0, 4):
get_monitor_ws = mantid.MaskBins(InputWorkspace=get_monitor_ws, XMin=ex_regions[0, reg],
XMax=ex_regions[1, reg])
monitor_ws = mantid.SplineBackground(InputWorkspace=get_monitor_ws, WorkspaceIndex=0, NCoeff=spline_terms)
common.remove_intermediate_workspace(get_monitor_ws)
return monitor_ws
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)