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Quest-v1.rst

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Description

This is a variation of the stretched exponential option of Quasi. For each spectrum a fit is performed for a grid of β and σ values. The distribution of goodness of fit values is plotted.

This routine was originally part of the MODES package. Note that this algorithm uses F2Py and is currently only supported on windows.

Usage

Example - a basic example using Quest to fit a reduced workspace.

def createSampleWorkspace(name, random=False):
    """ Creates a sample workspace with a single lorentzian that looks like IRIS data"""
    import os
    function = "name=Lorentzian,Amplitude=8,PeakCentre=5,FWHM=0.7"
    ws = CreateSampleWorkspace("Histogram", Function="User Defined", UserDefinedFunction=function, XUnit="DeltaE", Random=True, XMin=0, XMax=10, BinWidth=0.01)
    ws = CropWorkspace(ws, StartWorkspaceIndex=0, EndWorkspaceIndex=9)
    ws = ScaleX(ws, -5, "Add")
    ws = ScaleX(ws, 0.1, "Multiply")

    #load instrument and instrument parameters
    LoadInstrument(ws, InstrumentName='IRIS')
    path = os.path.join(config['instrumentDefinition.directory'], 'IRIS_graphite_002_Parameters.xml')
    LoadParameterFile(ws, Filename=path)
    ws = RenameWorkspace(ws, OutputWorkspace=name)
    return ws


ws = createSampleWorkspace("irs26173_graphite002_red", random=True)
res = createSampleWorkspace("irs26173_graphite002_res")

ResNorm(VanNumber='26176', ResNumber='26173', InputType='Workspace', ResInputType='Workspace', Instrument='irs', Analyser='graphite002', Plot='None')
Quest(SamNumber='26176', ResNumber='26173', ResNormNumber='26176', InputType='Workspace', ResInputType='Workspace', ResNormInputType='Workspace', Instrument='irs', Analyser='graphite002', )