## examples/feffit/doc_feffit7.lar # # this revisits the example in doc_feffit1.lar, but # setting refine_bkg=True to cause the background to # be refined with the fit. # read data cu_data = read_ascii('../xafsdata/cu_metal_rt.xdi') autobk(cu_data.energy, cu_data.mutrans, group=cu_data, rbkg=0.9, kw=2) # define fitting parameter group pars = param_group(amp = guess(1.0, min=0), del_e0 = guess(1.0), sig2 = guess(0.01, min=0), del_r = guess(-0.01, min=-0.25, max=0.25)) # define a Feff Path, give expressions for Path Parameters path1 = feffpath('feffcu01.dat', s02 = 'amp', e0 = 'del_e0', sigma2 = 'sig2', deltar = 'del_r') # set tranform / fit ranges trans = feffit_transform(kmin=3, kmax=16, kw=2, dk=4, window='kaiser', rmin=1.0, rmax=3.0) # define dataset to include data, pathlist, transform dset = feffit_dataset(data=cu_data, paths=[path1], epsilon_k=0.002, transform=trans, refine_bkg=True) out = feffit(pars, dset) print(feffit_report(out)) plot_chifit(dset) # if hasattr(out.datasets[0].data, 'bkgk'): mbkg = group(k=out.datasets[0].data.k, chi=out.datasets[0].data.bkgk) # plot(mbkg.k, mbkg.chi*mbkg.k**2, label='fitted bkg (1x)', win=1) plot(mbkg.k, (out.datasets[0]._chi-out.datasets[0]._bkg)*mbkg.k**2, label='chi-bkg', win=1) # xftf(mbkg, kmin=trans.kmin, kmax=trans.kmax, kweight=trans.kweight, dk=trans.dk, kwindow=trans.window) plot(mbkg.r, mbkg.chir_mag, label='fitted bkg (1x)', win=2) #endif