Ultra-scaled FinFET transistors bear unique fingerprint-like device-to-device differences attributed to random single impurities. This paper describes how, through correlation of experimental data with multimillion atom tight-binding simulations using the NEMO 3-D code, it is possible to identify the impuritys chemical species and determine their concentration, local electric field and depth below the Si/SiO$_{mathrm{2}}$ interface. The ability to model the excited states rather than just the ground state is the critical component of the analysis and allows the demonstration of a new approach to atomistic impurity metrology.