QMRITools`
QMRITools`
FitSpectra
FitSpectra[specBasis,spec,{st,end},dt,{lwvals,lwamsp}]
Fits the basis spectra from GetSpectraBasisFunctions to the spec overt the ppm range {st, end} and dt the dweltime.
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 strenght at which the simulations and fitting is perforemd. PaddingFactor 2 PaddingFactor is an option for PadFid, PadSpectra, ApodizePadFid, ApodizePadSpectra and FitSpectra. It Specifies with which factro to lengthen the fid. SplineSpacingFactor 1.5 SplineSpacingFactor is an option for FitSpectra and defines the distance between the bsplien points relative the the mean linewithd 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, lineshape and shift are fitted. InitializeFit Automatic InitializeFit is an option for FitSpectra and is used to set initila values for the global fit {gami,epsi,{phi0i,phi1i},lineshape}. FitLineShape False FitLineShape is an option for FitSpectra and when True allows to fit the lineshap. If False a voigt lineshape is used. SpectraOutputPlots False SpectraOutputPlots is an option for FitSpectra. If True the automatica calibration plot for the initial fit are generated. ReadoutType "Fid" ReadoutType is an option for FitSpectra and padding and apodization fucntions. Value can be "Fid" or "Echo".