diff --git a/scripts/Diffraction/isis_powder/gem.py b/scripts/Diffraction/isis_powder/gem.py
index efa851e31ac177f3d97f27fee9af394c1c065252..68e7e0b349b4f8ea8c9b22d32e135d10ff4c5070 100644
--- a/scripts/Diffraction/isis_powder/gem.py
+++ b/scripts/Diffraction/isis_powder/gem.py
@@ -44,6 +44,7 @@ class Gem(AbstractInst):
do_absorb_corrections=self._inst_settings.do_absorb_corrections)
def create_cal(self, **kwargs):
+ print(hasattr(self._inst_settings, "calibration_to_adjust"))
self._switch_texture_mode_specific_inst_settings(kwargs.get("texture_mode"))
self._inst_settings.update_attributes(kwargs=kwargs)
self._inst_settings.update_attributes(advanced_config=gem_advanced_config.get_calibration_variables())
@@ -58,8 +59,17 @@ class Gem(AbstractInst):
"Step": self._inst_settings.get_det_offsets_step,
"XMin": self._inst_settings.get_det_offsets_x_min,
"XMax": self._inst_settings.get_det_offsets_x_max}
-
- return gem_calibration_algs.create_calibration(calibration_runs=self._inst_settings.run_number,
+ if hasattr(self._inst_settings, "calibration_to_adjust"):
+ return gem_calibration_algs.create_calibration(calibration_runs=self._inst_settings.run_number,
+ instrument=self,
+ offset_file_name=run_details.offset_file_path,
+ grouping_file_name=run_details.grouping_file_path,
+ calibration_dir=self._inst_settings.calibration_dir,
+ rebin_1_params=self._inst_settings.cal_rebin_1,
+ rebin_2_params=self._inst_settings.cal_rebin_2,
+ cross_correlate_params=cross_correlate_params,
+ get_det_offset_params=get_detector_offsets_params)
+ return gem_calibration_algs.adjust_calibration(calibration_runs=self._inst_settings.run_number,
instrument=self,
offset_file_name=run_details.offset_file_path,
grouping_file_name=run_details.grouping_file_path,
@@ -67,7 +77,8 @@ class Gem(AbstractInst):
rebin_1_params=self._inst_settings.cal_rebin_1,
rebin_2_params=self._inst_settings.cal_rebin_2,
cross_correlate_params=cross_correlate_params,
- get_det_offset_params=get_detector_offsets_params)
+ get_det_offset_params=get_detector_offsets_params,
+ original_cal =self._inst_settings.cal_adjust)
def set_sample_details(self, **kwargs):
kwarg_name = "sample"
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_advanced_config.py b/scripts/Diffraction/isis_powder/gem_routines/gem_advanced_config.py
index 5039665eeded09d06b8fc0a1ef75bb27c49d2bed..7e59abb1ba6e4546208579d5e36dad697f15bd86 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_advanced_config.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_advanced_config.py
@@ -111,7 +111,7 @@ texture_mode_off ={"focused_cropping_values": focused_cropping_values,
calibration_params = {
"create_cal_rebin_1_params": "100,-0.0006,19950",
- "create_cal_rebin_2_params": "1,0.002,1.3",
+ "create_cal_rebin_2_params": "1.05,0.002,1.3",
"create_cal_cross_correlate_params": {
"cross_corr_reference_spectra": 5000,
"cross_corr_ws_index_min": 11,
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_calibration_algs.py b/scripts/Diffraction/isis_powder/gem_routines/gem_calibration_algs.py
index bfd316acb74d0c5954ef0dfcf4add31b38a6ce4d..c5c31ffcf88b9212734d701a22aa446082498dd3 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_calibration_algs.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_calibration_algs.py
@@ -1,5 +1,6 @@
from __future__ import (absolute_import, division, print_function)
+import csv
import os
import mantid.simpleapi as mantid
import isis_powder.routines.common as common
@@ -24,9 +25,44 @@ def create_calibration(calibration_runs, instrument, offset_file_name, grouping_
input_batching=INPUT_BATCHING.Summed)
input_ws = input_ws_list[0]
- calibration_ws = mantid.Rebin(InputWorkspace=input_ws, Params=rebin_1_params)
+ focused = _calibration_processing(calibration_dir, calibration_runs, cross_correlate_params, get_det_offset_params,
+ grouping_file_name, input_ws, instrument, offset_file_name, rebin_1_params,
+ rebin_2_params)
+ return focused
+
+
+def adjust_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, original_cal):
+ """
+ Create a calibration file from (usually) a ceria run
+ :param calibration_runs: Run number(s) for this run
+ :param instrument: The GEM 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]
+ input_ws = mantid.AlignDetectors(InputWorkspace=input_ws, CalibrationFile=original_cal)
+ offset_file = os.path.join(calibration_dir, offset_file_name)
+ focused = _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)
+ _adjust_cal_file(original_cal, offset_file)
+ return focused
+
+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()):
@@ -39,23 +75,36 @@ def create_calibration(calibration_runs, instrument, offset_file_name, grouping_
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)
- 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")
+ + "_grouped")
print("Saved cal file to " + offset_file)
- common.remove_intermediate_workspace([calibration_ws, rebinned, cross_correlated, rebinned_tof, aligned,
+ common.remove_intermediate_workspace([calibration_ws, rebinned, cross_correlated, rebinned_tof,
offsets_ws_name])
return focused
+
+
+def _adjust_cal_file(original_cal, generated_cal):
+ origin_ws = "origin{}"
+ gen_ws = "newCal{}"
+ out_ws = "adjusted_cal"
+ mantid.LoadCalFile(InstrumentName="Gem", MakeGroupingWorkspace=False, MakeMaskWorkspace=False,
+ MakeOffsetsWorkspace=True, WorkspaceName=origin_ws.format(''), CalFilename=original_cal)
+ mantid.LoadCalFile(InstrumentName="Gem", MakeGroupingWorkspace=False, MakeMaskWorkspace=False,
+ MakeOffsetsWorkspace=True, WorkspaceName=gen_ws.format(''), CalFilename=generated_cal)
+ mantid.Plus(LHSWorkspace=origin_ws.format("_offsets"), RHSWorkspace=gen_ws.format("_offsets"),
+ OutputWorkspace=out_ws)
+ mantid.SaveCalFile(OffsetsWorkspace=out_ws, Filename=generated_cal)
+ common.remove_intermediate_workspace([origin_ws.format("_offsets"), gen_ws.format("_offsets"),
+ origin_ws.format("_cal"), gen_ws.format("_cal")])
+
+
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_param_mapping.py b/scripts/Diffraction/isis_powder/gem_routines/gem_param_mapping.py
index 58f16cd25823403c08f83ea889f00b8f36ecfe06..b0aa3cd085cce00bde2f5443853e910733d99562 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_param_mapping.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_param_mapping.py
@@ -13,6 +13,7 @@ from isis_powder.routines.common_enums import INPUT_BATCHING, WORKSPACE_UNITS
# Maps friendly user name (ext_name) -> script name (int_name)
attr_mapping = \
[
+ ParamMapEntry(ext_name="calibration_to_adjust", int_name="cal_adjust", optional=True),
ParamMapEntry(ext_name="calibration_directory", int_name="calibration_dir"),
ParamMapEntry(ext_name="calibration_mapping_file", int_name="cal_mapping_path"),
ParamMapEntry(ext_name="config_file", int_name="config_file"),