The folders contain the following raw data:

(1) DFT supercells: 64 atom boron defect supercells for phonon and Compton J(pz) simulations.
The .cell files can be opened in VESTA. The defects include:

2boron_int_cluster.cell - two boron interstitial clusters
3boron_int_cluster_confi_X.cell - three boron interstitial cluster configuration X (=1,2,3)
64_acceptor_cluster.cell - two boron acceptor cluster
b_silicon_64_acceptor.cell - single boron acceptor 
b_silicon_64_interstitial.cell - single boron interstitial

(2) Vibrational EELS: contains summed low loss EELS spectra (on-axis and off-axis) for B-doped Si
and elemental Si samples. Files to be opened in Gatan Digital Micrograph software.

(3) Compton EELS: contains bright field (BF) and dark field (DF) EELS spectra for B-doped Si
and elemental Si samples. DF spectra were acquired along 110 and 001 scattering vectors and contain the Compton profile.
BF spectra were acquired close to zero scattering angle. Files to be opened in Gatan Digital Micrograph software.

(4) Hall and SIMS data: contains data for Hall and SIMS measurements as Excel spreadsheets.

