From 78fc4be8c63c0e548ef63c169072dea0ae97b993 Mon Sep 17 00:00:00 2001
From: Antti Soininen <soininen@ill.fr>
Date: Thu, 25 Oct 2018 17:56:17 -0400
Subject: [PATCH] Improve ComputeCalibrationCoefVan
- Add property to enable/disable the Debye-Waller factor correction
- Add support for time series temperature sample log
- Add support for giving the temperature log entry name in the IPF
- Update IN4, IN5, IN6 IPFs
Re #18457
---
.../algorithms/ComputeCalibrationCoefVan.py | 74 ++++++------
.../ComputeCalibrationCoefVanTest.py | 107 ++++++++++++++----
.../ComputeCalibrationCoefVan-v1.rst | 26 ++---
.../release/v3.14.0/direct_inelastic.rst | 5 +
instrument/IN4_Parameters.xml | 18 +--
instrument/IN5_Parameters.xml | 10 +-
instrument/IN6_Parameters.xml | 10 +-
7 files changed, 163 insertions(+), 87 deletions(-)
diff --git a/Framework/PythonInterface/plugins/algorithms/ComputeCalibrationCoefVan.py b/Framework/PythonInterface/plugins/algorithms/ComputeCalibrationCoefVan.py
index 0b4774fd4de..bb5a9befbf8 100644
--- a/Framework/PythonInterface/plugins/algorithms/ComputeCalibrationCoefVan.py
+++ b/Framework/PythonInterface/plugins/algorithms/ComputeCalibrationCoefVan.py
@@ -9,15 +9,15 @@ from __future__ import (absolute_import, division, print_function)
from mantid.api import (PythonAlgorithm, AlgorithmFactory,
MatrixWorkspaceProperty, Progress, InstrumentValidator,
ITableWorkspaceProperty)
-from mantid.kernel import Direction, FloatBoundedValidator, Property
+from mantid.kernel import Direction, FloatBoundedValidator, FloatTimeSeriesProperty, Property
import numpy as np
from scipy import integrate
import scipy as sp
class ComputeCalibrationCoefVan(PythonAlgorithm):
- """ Calculate coefficients to normalize by Vanadium and correct Debye
- Waller factor
+ """Calculate coefficients to normalize by Vanadium and correct Debye
+ Waller factor
"""
def __init__(self):
@@ -31,22 +31,20 @@ class ComputeCalibrationCoefVan(PythonAlgorithm):
self.DebyeT = 389.0 # K, Debye temperature for Vanadium
def category(self):
- """ Return category
- """
+ """Return category."""
return "CorrectionFunctions\\EfficiencyCorrections"
def name(self):
- """ Return summary
- """
+ """Return algorithm's name."""
return "ComputeCalibrationCoefVan"
def summary(self):
+ """Return summary."""
return ("Calculate coefficients for detector efficiency correction " +
"using the Vanadium data.")
def PyInit(self):
- """ Declare properties
- """
+ """Declare properties."""
self.declareProperty(MatrixWorkspaceProperty(
"VanadiumWorkspace", "",
direction=Direction.Input,
@@ -65,13 +63,12 @@ class ComputeCalibrationCoefVan(PythonAlgorithm):
validator=FloatBoundedValidator(lower=0.0),
direction=Direction.Input,
doc=("Temperature during the experiment (in " +
- "Kelvins) if the 'temperature' sample log " +
- "is missing or needs to be overriden."))
- return
+ "Kelvins) if temperature is not given in the sample logs " +
+ "or needs to be overriden."))
+ self.declareProperty("EnableDWF", True, "Enable or disable the Debye-Waller correction.")
def validateInputs(self):
- """ Validate the inputs
- """
+ """Validate the inputs."""
issues = dict()
inws = self.getProperty("VanadiumWorkspace").value
run = inws.getRun()
@@ -100,30 +97,37 @@ class ComputeCalibrationCoefVan(PythonAlgorithm):
return issues
def get_temperature(self):
- """Return the temperature
- """
- if not self.getProperty("Temperature").isDefault:
- return self.getProperty("Temperature").value
+ """Return the temperature."""
+ temperatureProperty = self.getProperty("Temperature")
+ if not temperatureProperty.isDefault:
+ return temperatureProperty.value
+ temperatureLogName = "temperature"
+ instrument = self.vanaws.getInstrument()
+ LOG_ENTRY = "temperature_log_entry"
+ if instrument.hasParameter(LOG_ENTRY, False):
+ temperatureLogName = instrument.getStringParameter(LOG_ENTRY)[0]
run = self.vanaws.getRun()
- if not run.hasProperty('temperature'):
+ if not run.hasProperty(temperatureLogName):
self.log().warning("No Temperature given and the 'temperature' " +
"sample log is not present in " +
self.vanaws.name() +
- " T=293K is assumed for Debye-Waller factor.")
+ ". T = 293K is assumed for Debye-Waller factor.")
return self.defaultT
try:
- temperature = float(run.getProperty('temperature').value)
+ temperature = run.getProperty(temperatureLogName)
+ if isinstance(temperature, FloatTimeSeriesProperty):
+ temperature = temperature.timeAverageValue()
+ else:
+ temperature = float(temperature.value)
+ return temperature
except ValueError as err:
self.log().warning("Error of getting temperature from the " +
- "sample log " + err + " T=293K is assumed " +
+ "sample log " + err + ". T = 293K is assumed " +
"for Debye-Waller factor.")
return self.defaultT
- return temperature
-
def PyExec(self):
- """ Main execution body
- """
+ """Main execution body."""
# returns workspace instance
self.vanaws = self.getProperty("VanadiumWorkspace").value
@@ -140,20 +144,21 @@ class ComputeCalibrationCoefVan(PythonAlgorithm):
integrate.execute()
prog_reporter.report("Computing DWFs")
outws = integrate.getProperty("OutputWorkspace").value
- # calculate array of Debye-Waller factors
prog_reporter.report("Applying DWFs")
- dwf = self.calculate_dwf()
- for idx in range(nhist):
- ys = outws.dataY(idx)
- ys /= dwf[idx]
- es = outws.dataE(idx)
- es /= dwf[idx]
+ if self.getProperty('EnableDWF').value:
+ # calculate array of Debye-Waller factors
+ dwf = self.calculate_dwf()
+ for idx in range(nhist):
+ ys = outws.dataY(idx)
+ ys /= dwf[idx]
+ es = outws.dataE(idx)
+ es /= dwf[idx]
prog_reporter.report("Done")
self.setProperty("OutputWorkspace", outws)
def calculate_dwf(self):
"""
- Calculates Debye-Waller factor according to
+ Calculate Debye-Waller factor according to
Sears and Shelley Acta Cryst. A 47, 441 (1991)
"""
run = self.vanaws.getRun()
@@ -165,6 +170,7 @@ class ComputeCalibrationCoefVan(PythonAlgorithm):
# T in K
temperature = self.get_temperature()
+ self.log().debug('Using T = {}K for the Debye-Waller factor.'.format(temperature))
# Wavelength, Angstrom
wlength = float(run.getLogData('wavelength').value)
# Vanadium mass, kg
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/ComputeCalibrationCoefVanTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/ComputeCalibrationCoefVanTest.py
index 54c3ee55af5..80883ff430b 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/ComputeCalibrationCoefVanTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/ComputeCalibrationCoefVanTest.py
@@ -7,9 +7,10 @@
from __future__ import (absolute_import, division, print_function)
import unittest
+from mantid.kernel import FloatTimeSeriesProperty
from mantid.simpleapi import (DeleteWorkspace, CreateSampleWorkspace,
- AddSampleLog, EditInstrumentGeometry,
- CloneWorkspace, CompareWorkspaces, FindEPP)
+ AddSampleLog, AddTimeSeriesLog, EditInstrumentGeometry,
+ CloneWorkspace, CompareWorkspaces, FindEPP, SetInstrumentParameter)
from testhelpers import run_algorithm
from mantid.api import AnalysisDataService
from scipy.constants import N_A, hbar, k
@@ -28,10 +29,13 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
self._table = FindEPP(input_ws, OutputWorkspace="table")
AddSampleLog(self._input_ws, LogName='wavelength', LogText='4.0',
LogType='Number', LogUnit='Angstrom')
- # These ranges correspond to 6*FWHM of the gaussian above,
- # the integration ranges of ComputeCalibrationCoefVan.
- self._lowerBoundRange = slice(28, 73)
- self._upperBoundRange = slice(27, 74)
+ for i in range(input_ws.getNumberHistograms()):
+ y = input_ws.dataY(i)
+ y.fill(0.)
+ y[51] = 100.
+ e = input_ws.dataE(i)
+ e.fill(0.)
+ e[51] = 10.
def test_output(self):
outputWorkspaceName = "output_ws"
@@ -62,16 +66,9 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
self.assertTrue(alg_test.isExecuted())
wsoutput = AnalysisDataService.retrieve(outputWorkspaceName)
- # Check whether the sum is calculated correctly, for theta=0, dwf=1
- # The result should be somewhere between the full bin sums.
- y_sumMin = np.sum(self._input_ws.readY(0)[self._lowerBoundRange])
- y_sumMax = np.sum(self._input_ws.readY(0)[self._upperBoundRange])
- e_sumMin = np.sqrt(np.sum(np.square(self._input_ws.readE(0)[self._lowerBoundRange])))
- e_sumMax = np.sqrt(np.sum(np.square(self._input_ws.readE(0)[self._upperBoundRange])))
- self.assertLess(y_sumMin, wsoutput.readY(0)[0])
- self.assertGreater(y_sumMax, wsoutput.readY(0)[0])
- self.assertLess(e_sumMin, wsoutput.readE(0)[0])
- self.assertGreater(e_sumMax, wsoutput.readE(0)[0])
+ for i in range(wsoutput.getNumberHistograms()):
+ self.assertEqual(100., wsoutput.readY(i)[0])
+ self.assertEqual(10., wsoutput.readE(i)[0])
DeleteWorkspace(wsoutput)
@@ -108,6 +105,53 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
DeleteWorkspace(wsoutput)
+ def test_temperature_log_is_time_series(self):
+ outputWorkspaceName = "output_ws"
+ EditInstrumentGeometry(self._input_ws, L2="4,8", Polar="0,15",
+ Azimuthal="0,0", DetectorIDs="1,2")
+ AddTimeSeriesLog(
+ self._input_ws,
+ 'temperature',
+ '2010-09-14T04:20:12',
+ Value='0.0')
+ AddTimeSeriesLog(
+ self._input_ws,
+ 'temperature',
+ '2010-09-14T04:20:13',
+ Value='0.0')
+ AddTimeSeriesLog(
+ self._input_ws,
+ 'temperature',
+ '2010-09-14T04:20:14',
+ Value='0.0')
+ alg_test = run_algorithm("ComputeCalibrationCoefVan",
+ VanadiumWorkspace=self._input_ws,
+ EPPTable=self._table,
+ OutputWorkspace=outputWorkspaceName)
+ self.assertTrue(alg_test.isExecuted())
+ wsoutput = AnalysisDataService.retrieve(outputWorkspaceName)
+
+ self._checkDWF(wsoutput, 0.0)
+
+ def test_temperature_log_name_from_IPF(self):
+ self._input_ws.mutableRun().addProperty('sample.temperature', 0.0, True)
+ EditInstrumentGeometry(self._input_ws, L2="4,8", Polar="0,15",
+ Azimuthal="0,0", DetectorIDs="1,2")
+ SetInstrumentParameter(
+ Workspace=self._input_ws,
+ ParameterName="temperature_log_entry",
+ ParameterType="String",
+ Value="sample.temperature")
+ outputWorkspaceName = "output_ws"
+ alg_test = run_algorithm("ComputeCalibrationCoefVan",
+ VanadiumWorkspace=self._input_ws,
+ EPPTable=self._table,
+ OutputWorkspace=outputWorkspaceName)
+ self.assertTrue(alg_test.isExecuted())
+ wsoutput = AnalysisDataService.retrieve(outputWorkspaceName)
+
+ self._checkDWF(wsoutput, 0.)
+
def test_temperature_input_overrides_sample_log(self):
self._input_ws.mutableRun().addProperty('temperature', 567.0, True)
outputWorkspaceName = "output_ws"
@@ -136,6 +180,25 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
self.assertTrue(CompareWorkspaces(backup, self._input_ws)[0])
DeleteWorkspace(backup)
+ def test_disabled_debye_waller_correction(self):
+ outputWorkspaceName = "output_ws"
+
+ # change theta to make dwf != 1
+ EditInstrumentGeometry(self._input_ws, L2="4,8", Polar="0,15",
+ Azimuthal="0,0", DetectorIDs="1,2")
+ alg_test = run_algorithm("ComputeCalibrationCoefVan",
+ VanadiumWorkspace=self._input_ws,
+ EPPTable=self._table,
+ OutputWorkspace=outputWorkspaceName,
+ EnableDWF=False)
+ self.assertTrue(alg_test.isExecuted())
+ wsoutput = AnalysisDataService.retrieve(outputWorkspaceName)
+ for i in range(wsoutput.getNumberHistograms()):
+ self.assertEqual(100., wsoutput.readY(i)[0])
+ self.assertEqual(10., wsoutput.readE(i)[0])
+
+ DeleteWorkspace(wsoutput)
+
def tearDown(self):
if AnalysisDataService.doesExist(self._input_ws.name()):
DeleteWorkspace(self._input_ws)
@@ -144,6 +207,8 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
DeleteWorkspace(self._table)
def _checkDWF(self, wsoutput, temperature):
+ self.assertEqual(100., wsoutput.readY(0)[0])
+ self.assertEqual(10., wsoutput.readE(0)[0])
if temperature == 0.0:
integral = 0.5
elif temperature == 293.0:
@@ -151,18 +216,12 @@ class ComputeCalibrationCoefVanTest(unittest.TestCase):
else:
raise RuntimeError("Unsupported temperature supplied to " +
"_checkDWF(). Use 0K or 293K only.")
- y_sumMin = np.sum(self._input_ws.readY(1)[self._lowerBoundRange])
- y_sumMax = np.sum(self._input_ws.readY(1)[self._upperBoundRange])
- e_sumMin = np.sqrt(np.sum(np.square(self._input_ws.readE(1)[self._lowerBoundRange])))
- e_sumMax = np.sqrt(np.sum(np.square(self._input_ws.readE(1)[self._upperBoundRange])))
mvan = 0.001*50.942/N_A
Bcoef = 3.0*integral*1e+20*hbar*hbar/(2.0*mvan*k*389.0)
dwf = np.exp(
-1.0*Bcoef*(4.0*np.pi*np.sin(0.5*np.radians(15.0))/4.0)**2)
- self.assertLess(y_sumMin/dwf, wsoutput.readY(1)[0])
- self.assertGreater(y_sumMax/dwf, wsoutput.readY(1)[0])
- self.assertLess(e_sumMin/dwf, wsoutput.readE(1)[0])
- self.assertGreater(e_sumMax/dwf, wsoutput.readE(1)[0])
+ self.assertEqual(100./dwf, wsoutput.readY(1)[0])
+ self.assertEqual(10./dwf, wsoutput.readE(1)[0])
if __name__ == "__main__":
diff --git a/docs/source/algorithms/ComputeCalibrationCoefVan-v1.rst b/docs/source/algorithms/ComputeCalibrationCoefVan-v1.rst
index b8e71df999a..89d292a4627 100644
--- a/docs/source/algorithms/ComputeCalibrationCoefVan-v1.rst
+++ b/docs/source/algorithms/ComputeCalibrationCoefVan-v1.rst
@@ -9,9 +9,15 @@
Description
-----------
-Algorithm creates a workspace with detector sensitivity correction coefficients using the given Vanadium workspace. The correction coefficients are calculated as follows.
+Algorithm creates a workspace with detector sensitivity correction coefficients using the given Vanadium workspace. The correction coefficients are calculated as follows.
-1. Calculate the Debye-Waller factor according to Sears and Shelley *Acta Cryst. A* **47**, 441 (1991):
+#. Load the peak centre and sigma from the *EPPTable*. These values are used to calculate sum :math:`S_i` as
+
+ :math:`S_i = \sum_{x = x_C - 3\,\mathrm{fwhm}}^{x_C + 3\,\mathrm{fwhm}} Y_i(x)`
+
+ where :math:`x_C` is the peak centre position and :math:`Y_i(x)` is the corresponding to :math:`x` :math:`Y` value for i-th detector.
+
+#. (If *EnableDWF* is true) Calculate the Debye-Waller factor according to Sears and Shelley *Acta Cryst. A* **47**, 441 (1991):
:math:`D_i = \exp\left[-B_i\cdot\left(\frac{4\pi\sin\theta_i}{\lambda}\right)^2\right]`
@@ -21,19 +27,13 @@ Algorithm creates a workspace with detector sensitivity correction coefficients
:math:`J(y) = \int_0^1 x\cdot\mathrm{coth}\left(\frac{x}{2y}\right)\,\mathrm{d}x`
- where :math:`y=T/T_m` is the ratio of the temperature during the experiment :math:`T` to the Debye temperature :math:`T_m = 389K`, :math:`m_V` is the Vanadium atomic mass (in kg) and :math:`\theta_i` is the polar angle of the i-th detector. By default, the temperature is read from the 'temperature' entry in the sample logs. If the entry is missing, or incorrect, the *Temperature* input property can be used instead.
+ where :math:`y=T/T_m` is the ratio of the temperature during the experiment :math:`T` to the Debye temperature :math:`T_m = 389K`, :math:`m_V` is the Vanadium atomic mass (in kg) and :math:`\theta_i` is the polar angle of the i-th detector. By default, the temperature is read from the sample logs. The log entry can be given as the 'temperature_sample_log' in the IPF, otherwise 'temperature' entry is used. If the log is missing, or incorrect, the *Temperature* input property can be used instead.
.. warning::
- If the input *Temperature* is not specified or the sample log 'temperature' is not present in the given Vanadium workspace, or is set to an invalid value, T=293K will be taken for the Debye-Waller factor calculation. The algorithm will produce a warning in this case.
-
-2. Load the peak centre and sigma from the *EPPTable*. These values are used to calculate sum :math:`S_i` as
-
- :math:`S_i = \sum_{x = x_C - 3\,\mathrm{fwhm}}^{x_C + 3\,\mathrm{fwhm}} Y_i(x)`
-
- where :math:`x_C` is the peak centre position and :math:`Y_i(x)` is the corresponding to :math:`x` :math:`Y` value for i-th detector.
+ If no temperature is available, or is set to an invalid value, :math:`T` = 293K will be taken for the Debye-Waller factor calculation. The algorithm will produce a warning in this case.
-3. Finally, the correction coefficients :math:`K_i` are calculated as
+#. (If *EnableDWF* is true)Finally, the correction coefficients :math:`K_i` are calculated as
:math:`K_i = \frac{S_i}{D_i}`
@@ -71,11 +71,11 @@ Usage
wsVana = LoadMLZ(Filename='TOFTOFTestdata.nxs')
# find elastic peak positions
epptable = FindEPP(wsVana)
- # calculate correction coefficients
+ # calculate correction coefficients
wsCoefs = ComputeCalibrationCoefVan(wsVana, epptable)
print('Spectrum 4 of the output workspace is filled with: {}'.format(round(wsCoefs.readY(999)[0])))
- # wsCoefs can be used as rhs with Divide algorithm to apply correction to the data
+ # wsCoefs can be used as rhs with Divide algorithm to apply correction to the data
wsCorr = wsVana/wsCoefs
print('Spectrum 4 of the input workspace is filled with: {}'.format(round(wsVana.readY(999)[0], 1)))
print('Spectrum 4 of the corrected workspace is filled with: {}'.format(round(wsCorr.readY(999)[0], 5)))
diff --git a/docs/source/release/v3.14.0/direct_inelastic.rst b/docs/source/release/v3.14.0/direct_inelastic.rst
index c4f908a56f3..f16be24b49c 100644
--- a/docs/source/release/v3.14.0/direct_inelastic.rst
+++ b/docs/source/release/v3.14.0/direct_inelastic.rst
@@ -22,6 +22,11 @@ Improvements
############
- :ref:`DirectILLIntegrateVanadium <algm-DirectILLIntegrateVanadium>` now masks zero counting detectors from the integral.
+- Changes to :ref:`ComputeCalibrationCoefVan <algm-ComputeCalibrationCoefVan>`:
+
+ - It is now possible to turn off the Debye-Waller correction
+ - The temperature sample log entry can be given in an instrument parameter ``temperature_sample_log``.
+ - The temperature sample log can now be a time series.
Bugfixes
########
diff --git a/instrument/IN4_Parameters.xml b/instrument/IN4_Parameters.xml
index f3df8a53cfc..c171988289b 100644
--- a/instrument/IN4_Parameters.xml
+++ b/instrument/IN4_Parameters.xml
@@ -7,7 +7,7 @@
<value val="direct" />
</parameter>
- <!-- Distance between sample and equatorial line of the detector. Mandatory
+ <!-- Distance between sample and equatorial line of the detector. Mandatory
if you want to correct the flight paths. -->
<parameter name="l2" type="string">
<value val="2.0" />
@@ -60,12 +60,14 @@
<parameter name="sample_logs_fail_tolerances" type="string">
<value val="0, 0, 0, 0.02, 5, 5" />
</parameter>
-
+ <parameter name="temperature_sample_log" type="string">
+ <value val="sample.temperature" />
+ </parameter>
</component-link>
<component-link name="wide_angle">
- <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
- See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
+ <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
+ See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
<value val="0.951*exp(-0.0887/sqrt(e))*(1-exp(-5.597/sqrt(e)))" />
@@ -73,8 +75,8 @@
</component-link>
<component-link name="rosace">
- <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
- See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
+ <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
+ See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
<value val="1-exp(-6.1343/sqrt(e))" />
@@ -82,8 +84,8 @@
</component-link>
<component-link name="monitors">
- <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
- See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
+ <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
+ See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
<value val="1" />
diff --git a/instrument/IN5_Parameters.xml b/instrument/IN5_Parameters.xml
index 52f5071317a..eb1d90293af 100644
--- a/instrument/IN5_Parameters.xml
+++ b/instrument/IN5_Parameters.xml
@@ -7,14 +7,14 @@
<value val="direct" />
</parameter>
- <!-- Distance between sample and equatorial line of the detector. Mandatory
+ <!-- Distance between sample and equatorial line of the detector. Mandatory
if you want to correct the flight paths. -->
<parameter name="l2" type="string">
<value val="4.0" />
</parameter>
- <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
- See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
+ <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
+ See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
<value val="1-exp(-5.6/sqrt(e))" />
@@ -73,7 +73,9 @@
<parameter name="sample_logs_fail_tolerances" type="string">
<value val="0, 0, 0" />
</parameter>
-
+ <parameter name="temperature_sample_log" type="string">
+ <value val="sample.temperature" />
+ </parameter>
</component-link>
</parameter-file>
diff --git a/instrument/IN6_Parameters.xml b/instrument/IN6_Parameters.xml
index ea90ca60c5d..23d0fa74669 100644
--- a/instrument/IN6_Parameters.xml
+++ b/instrument/IN6_Parameters.xml
@@ -7,14 +7,14 @@
<value val="direct" />
</parameter>
- <!-- Distance between sample and equatorial line of the detector. Mandatory
+ <!-- Distance between sample and equatorial line of the detector. Mandatory
if you want to correct the flight paths. -->
<parameter name="l2" type="string">
<value val="2.483" />
</parameter>
- <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
- See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
+ <!-- formula for Detector efficiency calculation. Algorithm: DetectorEfficiencyCorUser
+ See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
<!-- The xml escape sequence > below means 'greater than' -->
@@ -72,7 +72,9 @@
<parameter name="sample_logs_fail_tolerances" type="string">
<value val="0, 0, 0, 0.02, 5, 5" />
</parameter>
-
+ <parameter name="temperature_sample_log" type="string">
+ <value val="sample.temperature" />
+ </parameter>
</component-link>
</parameter-file>
--
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