Commit 07459eae authored by Whitfield, Ross's avatar Whitfield, Ross
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parent 8bbd5a50
......@@ -134,11 +134,7 @@ The workflow follows these step:
#. Use :math:`DIFC_{CC}` to convert the origonal data to d-spacing. DiffractionFocus allows for combining a portion of the instrument into a single spectrum for improved statistics
#. Pick an arbitrary constant, :math:`DIFC_{arb}` to convert this combined spectrum back to time-of-flight
#. PDCalibration the combined spectrum to determine a conversion constant :math:`DIFC_{PD}`
#. Do math (below) to combine :math:`DIFC_{CC}`, :math:`DIFC_{arb}`, and :math:`DIFC_{PD}` into a new calibration constant, :math:`DIFC_{eff}`
.. math::
DIFC_{eff} = \frac{DIFC_{PD}}{DIFC_{arb}} DIFC_{CC}
#. Use :ref:`CombineDiffCal <algm-CombineDiffCal>` to combine :math:`DIFC_{CC}`, :math:`DIFC_{arb}`, and :math:`DIFC_{PD}` into a new calibration constant, :math:`DIFC_{eff}`
.. testcode:: group_cal
......@@ -10,7 +10,7 @@ from mantid.simpleapi import (ConvertUnits, ExtractSpectra, Rebin,
DiffractionFocussing, PDCalibration,
Load, LoadMask, CombineDiffCal,
LoadDiffCal, LoadDetectorsGroupingFile,
SaveDiffCal, DeleteWorkspace)
SaveDiffCal, DeleteWorkspace, logger)
# Diamond peak positions in d-space
DIAMOND = (0.3117,0.3257,0.3499,0.4205,0.4645,
......@@ -48,7 +48,7 @@ def cc_calibrate_groups(data_ws,
:param Xmin: Xmin parameter for CrossCorrelate, default 1.22
:param Xmax: Xmax parameter for CrossCorrelate, default 1.30
:param MaxDSpaceShift: MaxDSpaceShift paramter for CrossCorrelate, default None
:return: Combinned DiffCal workspace from all the different groups
:return: Combined DiffCal workspace from all the different groups
if previous_calibration:
ApplyDiffCal(data_ws, CalibrationWorkspace=previous_calibration)
......@@ -133,9 +133,6 @@ def pdcalibration_groups(data_ws,
ConvertUnits(data_ws, Target='dSpacing', OutputWorkspace='_tmp_data_aligned')
DiffractionFocussing('_tmp_data_aligned', GroupingWorkspace=group_ws, OutputWorkspace='_tmp_data_aligned')
# Remove the following line after new CombineDiffCal algorithm is implemented as that will use the calibrated difc
ApplyDiffCal('_tmp_data_aligned', ClearCalibration=True)
ConvertUnits('_tmp_data_aligned', Target='TOF', OutputWorkspace='_tmp_data_aligned')
......@@ -239,7 +236,7 @@ def process_json(json_filename):
caldirectory = str(args.get('CalDirectory', os.path.abspath('.')))
calfilename = f'{caldirectory}/{instrument}_{calibrant}_{date}_{sample_env}.h5'
print('going to create calibration file: %s' % calfilename)
logger.information(f'going to create calibration file: {calfilename}')
filename = f'{instrument}_{calibrant}'
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