5rf2 8.07 0.1817 0.2216 0.1901 0.2276 0.0053 0.2209 -1.26 0.1870 0.2262 0.0053 0.2173 -1.68 0.1890 0.2245 0.0052 0.2197 -0.92 1.1622 0.50 0.10 0.10 41 0 0 5 7 NA 0 0.409 0.359 0.359 -1.687 -1.712 -1.427 -0.599 -0.662 -0.661 -0.662 -0.376 -0.167 -0.404 -0.328 -0.302 1.316 0.531 0.537 0.975 0.690 0.682 7 10 12 16 13 18 NA NA NA REFMAC_5.8.0238 2020 1.53 1.53 54.90 37976 1847 4.9 1847 13.3 112.671 52.715 52.715 90 102.96 90 23.04 26.16 ISOT SIMP 1.5 1.2 1.2 0 1 REDO 0 0 'C 1 2 1' 0 0 7 4 0.003 0.004 0.010 0.888 0.890 0.875 1.53 0.967 0.967 0.00 0.949 0.950 0.31 0.91260 0 35.13 X-ray 98.0 0 0 1 0 2024-03-30 4 0 67 65 79 87 24 35 81 56 36 25 NA NA NA 67 65 0 0 0.544 0.532 0.527 0.558 0.557 0.562 0.0443 -0.79 -1.07 -0.58 T F 0 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.9509 0.9473 0.9466 0.9413 0.9459 0.9406 F 1.8 57
