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Whitfield, Ross
wand
Commits
067cb0b9
Commit
067cb0b9
authored
Oct 23, 2018
by
Whitfield, Ross
Browse files
Update integration/KCl.py
parent
5c1b729b
Changes
1
Hide whitespace changes
Inline
Side-by-side
integration/KCl
_IntegratePeaksUsingClusters
.py
→
integration/KCl.py
View file @
067cb0b9
LoadWANDSCD
(
IPTS
=
'7776'
,
RunNumbers
=
'26613'
,
OutputWorkspace
=
'Vana_26613'
,
Grouping
=
'4x4'
)
LoadWANDSCD
(
IPTS
=
'7776'
,
RunNumbers
=
'27976-29776'
,
OutputWorkspace
=
'KCl'
,
Grouping
=
'4x4'
)
q
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
KeepTemporaryWorkspaces
=
True
)
q
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
KeepTemporaryWorkspaces
=
True
,
BinningDim1
=
'-1.22,0.42,41'
)
FindPeaksMD
(
InputWorkspace
=
'q_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
100
0
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks'
)
FindPeaksMD
(
InputWorkspace
=
'q_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
25
0
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks'
)
FindUBUsingLatticeParameters
(
PeaksWorkspace
=
'peaks'
,
a
=
6.292
,
b
=
6.292
,
c
=
6.292
,
alpha
=
90
,
beta
=
90
,
gamma
=
90
)
FindUBUsingLatticeParameters
(
PeaksWorkspace
=
'peaks'
,
a
=
6.29
5
2
,
b
=
6.29
5
2
,
c
=
6.29
5
2
,
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
=
'-
0.8
1,0.
8
1,81'
,
BinningDim2
=
'-8.01,8.01,801'
)
q2
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
KeepTemporaryWorkspaces
=
True
,
BinningDim0
=
'-8.01,8.01,801'
,
BinningDim1
=
'-
1.2
1,0.
4
1,81'
,
BinningDim2
=
'-8.01,8.01,801'
)
FindPeaksMD
(
InputWorkspace
=
'q2_data'
,
PeakDistanceThreshold
=
0.5
,
MaxPeaks
=
100
,
DensityThresholdFactor
=
1800
,
CalculateGoniometerForCW
=
True
,
Wavelength
=
1.488
,
OutputWorkspace
=
'peaks2'
)
...
...
@@ -20,5 +20,13 @@ IndexPeaks(PeaksWorkspace='peaks2')
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q2'
,
PeaksWorkspace
=
'peaks2'
,
Threshold
=
60000
,
OutputWorkspace
=
'integrated2'
,
OutputWorkspaceMD
=
'labeled2'
)
q2bck
=
mtd
[
'q2'
]
-
0.2
IntegratePeaksUsingClusters
(
InputWorkspace
=
'q2bck'
,
PeaksWorkspace
=
'peaks2'
,
Threshold
=
60000
,
OutputWorkspace
=
'integratedbkg2'
,
OutputWorkspaceMD
=
'labeledbkg2'
)
# IntegratePeaksMDHKL
hkl
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
UBWorkspace
=
'peaks'
,
Frame
=
'HKL'
,
BinningDim0
=
'-0.42,0.42,41'
,
BinningDim1
=
'-8.02,8.02,401'
,
BinningDim2
=
'-8.02,8.02,401'
)
hkl2
=
ConvertWANDSCDtoQ
(
InputWorkspace
=
'KCl'
,
NormalisationWorkspace
=
'Vana_26613'
,
UBWorkspace
=
'peaks2'
,
Frame
=
'HKL'
,
BinningDim0
=
'-0.81,0.81,81'
,
BinningDim1
=
'-8.01,8.01,801'
,
BinningDim2
=
'-8.01,8.01,801'
)
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