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mantidproject
mantid
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5b37024e
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5b37024e
authored
9 years ago
by
Elliot Oram
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Update to QLRun to deal with odd naming convention in fortran code
Refs #13826
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24426c26
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docs/source/algorithms/QLRun-v1.rst
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5b37024e
.. algorithm::
.. summary::
...
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@@ -19,14 +20,41 @@ exp[-2\pi(\sigma k)\beta]. This, in the energy to time FT transformation, is \ps
Usage
-----
**Example - a basic example using QLRun**
sample = Load('irs26176_graphite002_red.nxs')
resolution = Load('irs26173_graphite002_red.nxs')
**Example - QLRun**
.. testcode:: QLRunExample
# Load in test data
sampleWs = Load('irs26176_graphite002_red.nxs')
resWs = Load('irs26173_graphite002_red.nxs')
# Run QLRun algorithm
QLRun(Program="QL", SampleWorkspace=sampleWs, ResolutionWorkspace=resWs, MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, Elastic=False, Background="Sloping", FixedWidth=False, UseResNorm=False, WidthFile="", Loop=True, Save=False, Plot="None")
outputName = 'samp_QLd_Workspace_0'
# capture first fitted workspace
result_ws = mtd[outputName]
# Print the result
print "The Y values of the first fitted workspace are:"
print "data : %.5f" %(result_ws.readY(0)[0])
print "fit.1 : %.5f" %(result_ws.readY(1)[0])
print "diff.1: %.5f" %(result_ws.readY(2)[0])
print "fit.2 : %.5f" %(result_ws.readY(3)[0])
print "diff.2: %.5f" %(result_ws.readY(4)[0])
Output:
QLRun(Program="QL", SampleWorkspace=sample, ResolutionWorkspace=resolution, MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, Elastic=false, Background="Sloping", FixedWidth=false, UseResNorm=false, WidthFile="", Loop=true, Save=false, Plot="None")
.. testoutput:: QLRunExample
:options: +NORMALIZE_WHITESPACE
.. code-block:: python
The Y values of the first fitted workspace are:
data : 0.02540
fit.1 : 0.01906
diff.1: -0.00635
fit.2 : 0.01732
diff.2: -0.00808
.. categories::
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