Going in the same direction some composite peak in metabolic profile also requires manual zones creation that are then assigned to different atoms.
In this case we look at the choline headgroup of phospholipids of HDL and LDL fractions, that are arbitrarily divided into 3 areas with "high" correlation with LDL, HDL and H4PL. So, the same atom but in different subfraction of particles.
Going in the same direction some composite peak in metabolic profile also requires manual zones creation that are then assigned to different atoms. In this case we look at the choline headgroup of phospholipids of HDL and LDL fractions, that are arbitrarily divided into 3 areas with "high" correlation with LDL, HDL and H4PL. So, the same atom but in different subfraction of particles.
Originally posted by @jwist in https://github.com/cheminfo/nmrium/issues/1359#issuecomment-1027453077