All the physical parameters of the elements composing the sample are passed to the Monte Carlo code MCSHAPE using to the following input files, automatically selected after the reading of the SAMPLE.DAT file. The data for each element in the SAMPLE.DAT file are found within the directory labeled with the chemical symbol of the element and contained in the folder ELEMENTS. The formats of the data files are explained below.

ASCII filename contained data file format CONFIG.DAT atomic configuration of the atom, including density [g/cm3], atomic weight, number and properties of the electronic shells (see an example for Iodine) format FYS.DAT values of the form factors F (Rayleigh scattering) and of the function of incoherent scattering S (Compton scattering), depending on the values of the variable X, defined as where E is the energy of the incoming photon and theta is the scattering angle format CROSS.DAT values of the total cross sections [cm-1] for the three types of collisions considered (photoelectric effect, Rayleigh and Compton scattering) depending on the energy interval [1,1001] keV, with a step of  20 eV. format COMP.DAT electronic configuration of the considered atom format JQxx.DAT values of the cumulative function for the Compton profile of the shell xx, as a function of the momentum of the electron,  tabulated for 3000 values from 0 to 100, in units of  h/2me². format

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