Here we streamlined this process by defining quantitative quality measures for conformational ensembles of individual lipid molecules and membrane dimensions using C-H bond order parameters from NMR and X-ray scattering form factors . These measures enable automatic ranking of lipid bilayer simulations based on their quality against experiments. Qualities of order parameters were evaluated by first calculating the probabilities for each C-H bond order parameter to locate within experimental error, and then averaging the possibilities over different lipid segments (P hg , P sn1 ,P sn2 , and P total ). Qualities against X-ray scattering experiments (FF q ) were estimated as the difference in the experimental and simulated locations of the first form factor minimum. These measures are good proxies for membrane properties because they correlate with the membrane lateral packing and thickness (Figs. and). Ergodicity of conformational sampling of lipids was estimated by calculating τ rel , the convergence time of the slowest principal component divided by the simulation length.