All computer codes are in MATLAB. The following text files contain information on the unit cell atom positions in TIPS pentacene and rubrene:

-TIPS_unit cell_carbon.txt, TIPS_unit cell_hydrogen.txt, TIPS_unit cell_silicon.txt, 
-Rubrene_unit cell_carbon.txt, Rubrene_unit cell_hydrogen.txt

They are used as input for the MATLAB codes. 

A brief description of the codes are as follows ('X' is either [001]-oriented TIPS or Rubrene):

-'X_Bloch_wave.m' : intensity pendellsung for normal beam incidence, calculated using Bloch waves
-'X_multislice.m' : intensity pendellsung for normal beam incidence, calculated using multislice
-'X_cluster.m' : intensity pendellsung for normal beam incidence, calculated using scattering cluster algorithm

-'X_Bloch_wave_precession_depth.m' : intensity pendellsung for precession electron diffraction, calculated using Bloch waves
-'X_multislice_precession_depth.m' : intensity pendellsung for precession electron diffraction, calculated using multislice
-'X_cluster_precession_depth.m' : intensity pendellsung for precession electron diffraction, calculated using scattering cluster algorithm
