deriv_voigt_thy

TRXASprefitpack.mathfun.deriv_voigt_thy(e: ndarray, thy_peak: ndarray, fwhm_G: float, fwhm_L: float, peak_factor: Union[float, ndarray], policy: Optional[str] = 'shift') → ndarray[source]

Calculates derivative of normalized voigt broadened theoretically calculated lineshape spectrum

Parameters

  • e – energy

  • thy_peak – theoretical calculated peak position and intensity

  • fwhm_G – full width at half maximum of gaussian shape

  • fwhm_L – full width at half maximum of lorenzian shape

  • peak_factor – Peak factor, its behavior depends on policy.

  • policy ({'shift', 'scale', 'both'}) –

    Policy to match discrepency between experimental data and theoretical spectrum.

    • ’shift’ : Default option, shift peak position by peak_factor

    • ’scale’ : scale peak position by peak_factor

    • ’both’ : both shift and scale peak postition.

    peak_factor should be equal to the pair of shift_factor and scale_factor.

Returns

derivative of normalized voigt broadened theoritical lineshape spectrum

Note

  • 1st column: df/d(fwhm_G)

  • 2nd column: df/d(fwhm_L)

if policy is shift or scale,

  • 3rd column: df/d(peak_factor)

if policy is both

  • 3rd column: df/d(peak_factor[0]), peak_factor[0]: shift factor

  • 4th column: df/d(peak_factor[1]), peak_factor[1]: scale factor