calc_broad

calc_broad: calculates voigt broadened theoritical calc spectrum

• usage: calc_broad [-h] [–scale_energy] [-o OUT] peak e_min e_max e_step A fwhm_G fwhm_L peak_factor

• positional arguments:

  • peak filename for calculated line shape spectrum

  • e_min minimum energy

  • e_max maximum energy

  • e_step energy step

  • A scale factor

  • fwhm_G Full Width at Half Maximum of gaussian shape

  • fwhm_L Full Width at Half Maximum of lorenzian shape

• optional arguments:

  • -h, –help show this help message and exit

  • –policy {shift,scale,both} Policy to match discrepency between experimental data and theoretical spectrum.

    • ‘shift’: constant shift peak position

    • ‘scale’: constant scale peak position

    • ‘both’: shift and scale peak position

  • –shift_factor SHIFT_FACTOR parameter to shift peak position of thoretical spectrum

  • –scale_factor SCALE_FACTOR paramter to scale peak position of theoretical spectrum

  • -o OUT, –out OUT prefix for output files