| 1 | ###################################################################### |
|---|
| 2 | #Python Script Generated by GeneratePythonScript Algorithm |
|---|
| 3 | ###################################################################### |
|---|
| 4 | import mantid.simpleapi as api |
|---|
| 5 | |
|---|
| 6 | # 1. Load data |
|---|
| 7 | LoadAscii( |
|---|
| 8 | Filename=r'NOM_11848-4.dat', |
|---|
| 9 | OutputWorkspace='NOM_11848-4',Unit='TOF') |
|---|
| 10 | |
|---|
| 11 | # 2. Create inputs |
|---|
| 12 | CreateLeBailFitInput( |
|---|
| 13 | ReflectionsFile=r'LB4853b2.hkl', |
|---|
| 14 | FullprofParameterFile=r'nom_bank4.irf', |
|---|
| 15 | Bank='4', |
|---|
| 16 | LatticeConstant='4.1568899999999998', |
|---|
| 17 | InstrumentParameterWorkspace='NOM_Bank4_ProfileTable', |
|---|
| 18 | BraggPeakParameterWorkspace='LaB6_BraggPeaksTable') |
|---|
| 19 | |
|---|
| 20 | # 3. Create background parameter workspace |
|---|
| 21 | bkgdws = api.CreateEmptyTableWorkspace(OutputWorkspace="NOM_Bank4_BackgroundParameters") |
|---|
| 22 | bkgdws.addColumn("str", "Name") |
|---|
| 23 | bkgdws.addColumn("double", "Value") |
|---|
| 24 | bkgdws.addRow(["A0", 0.7]) |
|---|
| 25 | bkgdws.addRow(["A1", -7.99912e-05]) |
|---|
| 26 | bkgdws.addRow(["A2", -2.62568e-08]) |
|---|
| 27 | bkgdws.addRow(["A3", 6.85818e-12 ]) |
|---|
| 28 | bkgdws.addRow(["A4", -6.2969e-16 ]) |
|---|
| 29 | bkgdws.addRow(["A5", 2.5987e-20 ]) |
|---|
| 30 | bkgdws.addRow(["A6", -4.04945e-25]) |
|---|
| 31 | |
|---|
| 32 | |
|---|
| 33 | print bkgdws.name() |
|---|
| 34 | |
|---|
| 35 | # 4. Preview |
|---|
| 36 | LeBailFit(InputWorkspace='NOM_11848-4', |
|---|
| 37 | OutputWorkspace='NOM_11848-4_MC_20000', |
|---|
| 38 | InputParameterWorkspace='NOM_Bank4_ProfileTable', |
|---|
| 39 | OutputParameterWorkspace='DummyX', |
|---|
| 40 | InputHKLWorkspace='LaB6_BraggPeaksTable', |
|---|
| 41 | OutputPeaksWorkspace='DummyY', |
|---|
| 42 | FitRegion='2390,18500', |
|---|
| 43 | Function='Calculation', |
|---|
| 44 | BackgroundParametersWorkspace='NOM_Bank4_BackgroundParameters', |
|---|
| 45 | PeakRadius='8', |
|---|
| 46 | UseInputPeakHeights='0') |
|---|
