Ticket #6747: setup_preview-2.py

File setup_preview-2.py, 6.5 KB (added by Wenduo Zhou, 7 years ago)
Line 
1######################################################################
2#Python Script Generated by GeneratePythonScript Algorithm
3######################################################################
4LoadAscii(Filename=r'NOM_11848-4.dat',OutputWorkspace='NOM_11848-4',Unit='TOF')
5CreateLeBailFitInput(ReflectionsFile=r'LB4853b2.hkl',FullprofParameterFile=r'nom60b4.irf',Bank='4',LatticeConstant='4.1568899999999998',InstrumentParameterWorkspace='Bank4InstrumentParameterTable1',BraggPeakParameterWorkspace='BraggPeakParameterTable1')
6ProcessBackground(InputWorkspace='NOM_11848-4',OutputWorkspace='NOM_11848-4_Background',Options='SelectBackgroundPoints',LowerBound='2390',UpperBound='18500',BackgroundPoints='2391,2435,2551,3313,4030,5314,5780,7470,8250,10090,10400,12243,14000,15520,17000,18076,18490',NoiseTolerance='0.10000000000000001')
7Fit(Function='name=Polynomial,n=6,A0=0.735996,A1=-8.00661e-05,A2=-2.62779e-08,A3=6.85811e-12,A4=-6.29727e-16,A5=2.5987e-20,A6=-4.04945e-25',InputWorkspace='NOM_11848-4_Background',MaxIterations='1000',Minimizer='Levenberg-MarquardtMD',CreateOutput='1',Output='NOM_11848-4_Background',StartX='2390',EndX='18500')
8LeBailFit(InputWorkspace='NOM_11848-4',OutputWorkspace='NOM_11848-4_InitGuess',InputParameterWorkspace='Bank4InstrumentParameterTable1',OutputParameterWorkspace='TempTable',InputHKLWorkspace='BraggPeakParameterTable1',OutputPeaksWorkspace='BraggPeakParameterTable2',FitRegion='2390,18500',Function='Calculation',BackgroundParametersWorkspace='NOM_11848-4_Background_Parameters',PeakRadius='8',UseInputPeakHeights='0',Minimizer='Levenberg-Marquardt',MinimumPeakHeight='0.0001')
9FitPowderDiffPeaks(InputWorkspace='NOM_11848-4',OutputWorkspace='Bank4FittedPeaks',BraggPeakParameterWorkspace='BraggPeakParameterTable2',InstrumentParameterWorkspace='Bank4InstrumentParameterTable1',OutputBraggPeakParameterWorkspace='BraggPeakParameterTable2_0',OutputBraggPeakParameterDataWorkspace='BraggPeakParameterTable2_P',OutputZscoreWorkspace='BraggPeakParameterTable2_Zscore',MinTOF='10300',MaxTOF='18500',UseGivenPeakCentreTOF='0',MinimumPeakHeight='0.050000000000000003',PeaksCorrelated='1',MinimumHKL='12,12,12',RightMostPeakHKL='2,1,0',RightMostPeakLeftBound='17236',RightMostPeakRightBound='18170')
10UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1',Column='FitOrTie',NewStringValue='tie')
11UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1',Column='FitOrTie',ParameterNames='Dtt1',NewStringValue='fit')
12RefinePowderInstrumentParameters(InputPeakPositionWorkspace='BraggPeakParameterTable2_P',OutputPeakPositionWorkspace='NOM_11848-4_PeakPositions_Dtt1',InputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1',OutputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_01',RefinementAlgorithm='OneStepFit')
13UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_01',Column='FitOrTie',NewStringValue='tie')
14UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_01',Column='FitOrTie',ParameterNames='Dtt1t',NewStringValue='fit')
15RefinePowderInstrumentParameters(InputPeakPositionWorkspace='BraggPeakParameterTable2_P',OutputPeakPositionWorkspace='NOM_11848-4_PeakPositions_Dtt1t',InputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_01',OutputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_02',RefinementAlgorithm='OneStepFit')
16UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_02',Column='FitOrTie',NewStringValue='tie')
17UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_02',Column='FitOrTie',ParameterNames='Zerot',NewStringValue='fit')
18RefinePowderInstrumentParameters(InputPeakPositionWorkspace='BraggPeakParameterTable2_P',OutputPeakPositionWorkspace='NOM_11848-4_PeakPositions_Zerot',InputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_02',OutputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_03',RefinementAlgorithm='OneStepFit')
19UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_03',Column='FitOrTie',NewStringValue='tie')
20UpdatePeakParameterTableValue(InputWorkspace='Bank4InstrumentParameterTable1_03',Column='FitOrTie',ParameterNames='Zerot,Dtt1,Dtt1t',NewStringValue='fit')
21RefinePowderInstrumentParameters(InputPeakPositionWorkspace='BraggPeakParameterTable2_P',OutputPeakPositionWorkspace='NOM_11848-4_PeakPositions_All',InputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_03',OutputInstrumentParameterWorkspace='Bank4InstrumentParameterTable1_04',RefinementAlgorithm='OneStepFit')
22RenameWorkspace(InputWorkspace='Bank4InstrumentParameterTable1_04',OutputWorkspace='Bank4InstrumentParameterTable1_Step2')
23ProcessBackground(InputWorkspace='NOM_11848-4',OutputWorkspace='NOM_11848-4_Background',Options='SelectBackgroundPoints',LowerBound='2390',UpperBound='18500',BackgroundPoints='2391,2435,2551,3313,4030,5314,5780,7470,8250,10090,10400,12243,14000,15520,17000,18076,18490',NoiseTolerance='0.10000000000000001')
24Fit(Function='name=Polynomial,n=6,A0=0.735996,A1=-8.00661e-05,A2=-2.62779e-08,A3=6.85811e-12,A4=-6.29727e-16,A5=2.5987e-20,A6=-4.04945e-25',InputWorkspace='NOM_11848-4_Background',MaxIterations='1000',Minimizer='Levenberg-MarquardtMD',CreateOutput='1',Output='NOM_11848-4_Background',StartX='2390',EndX='18500')
25LeBailFit(InputWorkspace='NOM_11848-4',OutputWorkspace='CalculatedPattern0',InputParameterWorkspace='Bank4InstrumentParameterTable1_Step2',OutputParameterWorkspace='Bank4InstrumentParameterTable1_0',InputHKLWorkspace='BraggPeakParameterTable1',OutputPeaksWorkspace='BraggPeakParameterTable2_0',FitRegion='2390,18500',Function='Calculation',BackgroundParametersWorkspace='NOM_11848-4_Background_Parameters',PeakRadius='8',UseInputPeakHeights='0',Minimizer='Levenberg-Marquardt')
26
27DeleteWorkspace(Workspace="Bank4InstrumentParameterTable1")
28DeleteWorkspace(Workspace="Bank4InstrumentParameterTable1_01")
29DeleteWorkspace(Workspace="Bank4InstrumentParameterTable1_02")
30DeleteWorkspace(Workspace="Bank4InstrumentParameterTable1_03")
31#DeleteWorkspace(Workspace="BraggPeakParameterTable1")
32DeleteWorkspace(Workspace="BraggPeakParameterTable2")
33DeleteWorkspace(Workspace="TempTable")
34DeleteWorkspace(Workspace="NOM_11848-4_InitGuess")
35DeleteWorkspace(Workspace="NOM_11848-4_PeakPositions_Dtt1")
36DeleteWorkspace(Workspace="NOM_11848-4_PeakPositions_Dtt1t")
37DeleteWorkspace(Workspace="NOM_11848-4_PeakPositions_Zerot")
38DeleteWorkspace(Workspace="NOM_11848-4_PeakPositions_All")
39#DeleteWorkspace(Workspace="")
40#DeleteWorkspace(Workspace="")
41#DeleteWorkspace(Workspace="")