High-accuracy reconstruction of titanium x-ray emission spectra, including relative intensities, asymmetry and satellites, and ab initio determination of shake magnitudes for transition metals

High resolution x-ray spectroscopy has revealed a complex structure in the spectrum of core-ionized elements. To date, theoretical reproductions must be fitted to experimental results using fitting parameters to account for transition widths, energy corrections, spectator intensities and spectator broadening - up to 12 or more parameters depending on complexity. We provide here the first accurate reconstruction of the Kα spectra in titanium using only instrumental broadening widths as free parameters. We also determine structural systematics in observed shake processes in transition metals for the first time.