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Whitfield, Ross
wand
Commits
5c1b729b
Commit
5c1b729b
authored
Oct 22, 2018
by
Whitfield, Ross
Browse files
Update integration/KCl_IntegratePeaksUsingClusters.py
parent
fb2baee9
Changes
1
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integration/KCl_IntegratePeaksUsingClusters.py
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5c1b729b
...
...
@@ -5,12 +5,20 @@ q=ConvertWANDSCDtoQ(InputWorkspace='KCl', NormalisationWorkspace='Vana_26613', K
FindPeaksMD
(
InputWorkspace
=
'q_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
1000
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks'
)
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q'
,
PeaksWorkspace
=
'peaks'
,
Threshold
=
25000
,
OutputWorkspace
=
'integrated'
,
OutputWorkspaceMD
=
'labeled'
)
FindUBUsingLatticeParameters
(
PeaksWorkspace
=
'peaks'
,
a
=
6.292
,
b
=
6.292
,
c
=
6.292
,
alpha
=
90
,
beta
=
90
,
gamma
=
90
)
IndexPeaks
(
PeaksWorkspace
=
'peaks'
)
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q'
,
PeaksWorkspace
=
'peaks'
,
Threshold
=
5000
,
OutputWorkspace
=
'integrated'
,
OutputWorkspaceMD
=
'labeled'
)
q2
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
KeepTemporaryWorkspaces
=
True
,
BinningDim0
=
'-8.01,8.01,801'
,
BinningDim1
=
'-0.81,0.81,81'
,
BinningDim2
=
'-8.01,8.01,801'
)
FindPeaksMD
(
InputWorkspace
=
'q2_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
1000
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks2'
)
FindPeaksMD
(
InputWorkspace
=
'q2_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
1800
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks2'
)
FindUBUsingLatticeParameters
(
PeaksWorkspace
=
'peaks2'
,
a
=
6.292
,
b
=
6.292
,
c
=
6.292
,
alpha
=
90
,
beta
=
90
,
gamma
=
90
)
IndexPeaks
(
PeaksWorkspace
=
'peaks2'
)
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q2'
,
PeaksWorkspace
=
'peaks2'
,
Threshold
=
25
000
,
OutputWorkspace
=
'integrated2'
,
OutputWorkspaceMD
=
'labeled2'
)
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q2'
,
PeaksWorkspace
=
'peaks2'
,
Threshold
=
60
000
,
OutputWorkspace
=
'integrated2'
,
OutputWorkspaceMD
=
'labeled2'
)
q2bck
=
mtd
[
'q2'
]
-
0.2
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q2bck'
,
PeaksWorkspace
=
'peaks2'
,
Threshold
=
60000
,
OutputWorkspace
=
'integratedbkg2'
,
OutputWorkspaceMD
=
'labeledbkg2'
)
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