… to its only element

…we have an extra key called empiricalscaling which is now also read

Parity with main

…able

…s calculations

…s calculations

…cribed on the SCM website, including compact block notation

…_adf down, after the vibrationalanalysis job is read

…ave to check if they are present first

…obs-has-a-different-folder-structure

Intensities are not written by default for some calculations, so we h…

…e been there