hexrd.wppf.peakfunctions module
- hexrd.wppf.peakfunctions.calc_Iobs_pvfcj(uvw, p, xy, xy_sf, shkl, eta_mixing, HL, SL, xn, wn, tth, dsp, hkl, tth_list, Icalc, spectrum_expt, spectrum_sim)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute Iobs for each reflection given all parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to compute the final intensities
- hexrd.wppf.peakfunctions.calc_Iobs_pvpink(alpha, beta, uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list, Icalc, spectrum_expt, spectrum_sim)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute Iobs for each reflection given all parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to compute the final intensities
- hexrd.wppf.peakfunctions.calc_Iobs_pvtch(uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list, Icalc, spectrum_expt, spectrum_sim)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute Iobs for each reflection given all parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to compute the final intensities
- hexrd.wppf.peakfunctions.calc_rwp(spectrum_sim, spectrum_expt, weights, P)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details calculate the rwp given all the input parameters. moved outside of the class to allow numba implementation P : number of independent parameters in fitting
- hexrd.wppf.peakfunctions.computespectrum_pvfcj(uvw, p, xy, xy_sf, shkl, eta_mixing, HL, SL, tth, dsp, hkl, tth_list, Iobs, xn, wn)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute the spectrum given all the input parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to generate the final spectrum
- hexrd.wppf.peakfunctions.computespectrum_pvpink(alpha, beta, uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list, Iobs)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute the spectrum given all the input parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to generate the final spectrum
- hexrd.wppf.peakfunctions.computespectrum_pvtch(uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list, Iobs)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/31/2021 SS 1.0 original @details compute the spectrum given all the input parameters. moved outside of the class to allow numba implementation this is called for multiple wavelengths and phases to generate the final spectrum
- hexrd.wppf.peakfunctions.mpeak_nparams_dict = {'gaussian': 3, 'lorentzian': 3, 'pvoigt': 4, 'split_pvoigt': 6}
Calgliotti and Lorentzian FWHM functions
- hexrd.wppf.peakfunctions.pvfcj(uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list, HoL, SoL, xn, wn)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 04/02/2021 SS 1.0 original @details pseudo voight convolved with the slit functions xn, wn are the Gauss-Legendre weights and abscissae supplied using the scipy routine
- hexrd.wppf.peakfunctions.pvoight_pink_beam(alpha, beta, uvw, p, xy, xy_sf, shkl, eta_mixing, tth, dsp, hkl, tth_list)[source]
@author Saransh Singh, Lawrence Livermore National Lab @date 03/22/2021 SS 1.0 original @details compute the pseudo voight peak shape for the pink beam using von dreele’s function