1 | # Load file and create input workspaces |
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2 | LoadAscii(Filename="PG3_15035-3.dat", OutputWorkspace="PG3_15035", Unit="TOF") |
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3 | |
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4 | CreateLeBailFitInput(FullprofParameterFile=r'pg3_bank3_step_b40k.irf',GenerateBraggReflections='1', |
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5 | LatticeConstant='4.1568899999999998',InstrumentParameterWorkspace='PG3_Bank3',BraggPeakParameterWorkspace='ReflectionTable') |
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6 | |
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7 | Load(Filename="PG3_15035_BkgdParameters.nxs", OutputWorkspace="PG3_15035_BkgdParameters") |
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8 | |
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9 | # Set up sequential refinement |
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10 | RefinePowderDiffProfileSeq( |
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11 | InputWorkspace = "PG3_15035", |
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12 | WorkspaceIndex = 0, |
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13 | InputProfileWorkspace = "PG3_Bank3", |
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14 | InputBraggPeaksWorkspace = "ReflectionTable", |
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15 | InputBackgroundParameterWorkspace = "PG3_15035_BkgdParameters", |
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16 | StartX = 10000., |
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17 | EndX = 79000., |
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18 | FunctionOption = "Setup", |
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19 | ProfileType = "Thermal neutron Back-to-back exponential convoluted with pseudo-voigt", |
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20 | BackgroundType = "Polynomial", |
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21 | ProjectID = "Test001") |
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22 | |
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