| 1 | # Data |
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| 2 | LoadAscii(Filename=r'VULCAN_22946_NOM.dat', |
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| 3 | OutputWorkspace='VULCAN_22946_NOM',Unit='TOF') |
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| 4 | |
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| 5 | # Reflections and starting profile parameters |
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| 6 | CreateLeBailFitInput(FullprofParameterFile=r'VULCAN_SNS_1.irf', |
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| 7 | GenerateBraggReflections='1',LatticeConstant='5.4313640000000003',InstrumentParameterWorkspace='Vulcan_B270_Profile', |
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| 8 | BraggPeakParameterWorkspace='GeneralReflectionTable') |
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| 9 | |
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| 10 | # Pre-refined background |
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| 11 | paramnames = ["Bkpos", "A0", "A1", "A2", "A3", "A4", "A5"] |
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| 12 | paramvalues = [11000.000, 0.034, 0.027, -0.129, 0.161, -0.083, .015] |
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| 13 | bkgdtablewsname = "VULCAN_22946_Bkgd_Parameter" |
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| 14 | CreateEmptyTableWorkspace(OutputWorkspace=bkgdtablewsname) |
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| 15 | ws = mtd[bkgdtablewsname] |
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| 16 | ws.addColumn("str", "Name") |
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| 17 | ws.addColumn("double", "Value") |
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| 18 | for i in xrange(len(paramnames)): |
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| 19 | ws.addRow([paramnames[i], paramvalues[i]]) |
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| 20 | |
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| 21 | # Examine profile |
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| 22 | ExaminePowderDiffProfile( |
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| 23 | InputWorkspace = "VULCAN_22946_NOM", |
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| 24 | LoadData = False, |
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| 25 | StartX = 7000., |
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| 26 | EndX = 33000., |
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| 27 | ProfileType = "Back-to-back exponential convoluted with PseudoVoigt", |
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| 28 | ProfileWorkspace = "Vulcan_B270_Profile", |
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| 29 | BraggPeakWorkspace = "GeneralReflectionTable", |
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| 30 | GenerateInformationWS = False, |
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| 31 | BackgroundParameterWorkspace = "VULCAN_22946_Bkgd_Parameter", |
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| 32 | ProcessBackground = False, |
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| 33 | BackgroundType = "FullprofPolynomial", |
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| 34 | BackgroundWorkspace = "Dummy", |
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| 35 | OutputWorkspace = "VULCAN_22946_Calculated") |
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| 36 | |
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