More chemical information
Atoms declared as missing (per asymmetric unit): Scatterer type : O Number : 0.00000 Average value of B for these scatterers : 49.81370 Standard dev. of B for these scatterers : 4.98137 Coefficients from lookup table: 3.04850 13.27710 2.28680 5.70110 1.54630 0.32390 0.86700 32.90890 0.25080 0.00000 There are 1 scatterer types and 0.00000 non-H atoms in the asymmetric unit.