FitSpectra
QMRITools`
QMRITools`
FitSpectra
FitSpectra[specBasis,spec,{st,end},dt,{lwVals,lwAmps}]
Fits the basis spectra from GetSpectraBasisFunctions to the spec overt the ppm range {st, end} and dt the dwell time.
Details
- The following options can be given:
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SpectraNucleus "1H" SpectraNucleus is an option for GetSpectraBasisFunctions and FitSpectra and specifies which nucleus to Simulate or fit, see GyromagneticRatio. SpectraPpmShift 4.65 SpectraPpmShift is an option for GetSpectraBasisFunctions and FitSpectra and defines how much the center frequency is shifted, default is water at 4.65 ppm. SpectraFieldStrength 3 SpectraFieldStrength is an option for GetSpectraBasisFunctions and FitSpectra and sets the field strength at which the simulations and fitting is performed. PaddingFactor 2 PaddingFactor is an option for PadFid, PadSpectra, ApodizePadFid, ApodizePadSpectra and FitSpectra. It Specifies with which factor to lengthen the fid. SplineSpacingFactor 1.5 SplineSpacingFactor is an option for FitSpectra and defines the distance between the b-spline points relative the the mean linewidth of the peaks. FineTuneFit True FineTuneFit is an option for FitSpectra and when True it performs a second fitting run where for each peak is an individual linewidth, line shape and shift are fitted. InitializeFit Automatic InitializeFit is an option for FitSpectra and is used to set initial values for the global fit {gam, eps, {phi0, phi1}, line shape}. FitLineShape False FitLineShape is an option for FitSpectra and when True allows to fit the line shape. If False a voigt line shape is used. SpectraOutputPlots False SpectraOutputPlots is an option for FitSpectra. If True the automatic calibration plot for the initial fit are generated. ReadoutType "Fid" ReadoutType is an option for FitSpectra and padding and apodization functions. Value can be "Fid" or "Echo".