MD simulation model, that is done in many currently used methods. On the other hand, our approach is free from assumptions about the number and timescales of rotation modes present in the system, as well as from arbitrary scaling of simulation results that are required to interpret spin relaxation time data and reproduce experimental results when deploying other methods. These advances enable the interpretation of spin relaxation times for systems that are beyond the scope of current approaches due to the large amounts of data required for parameter fitting, such as complex protein aggregates containing lipids or detergents.