How theRfactor changes as molecules become larger
Frederik Christian Krebs · Journal of Applied Crystallography · 2000
TheRfactors and the numbers of independent atoms for the entire set of molecular organic structures contained in the Cambridge Structural Database were retrieved and analysed. The averageRfactor for all structures containing the same number of independent atoms was plotted against the number of independent atoms. A clear correlation was observed. The plot is suggested to give a graphical overview of how values of theRfactor for large-molecule structures with 200–1000 independent atoms increase as the number of independent atoms increases.