5re8 8.07 0.1903 0.2483 0.2057 0.2580 0.0076 0.2445 -1.78 0.2089 0.2533 0.0074 0.2483 -0.68 0.2137 0.2565 0.0075 0.2540 -0.33 1.1884 0.50 0.01 0.01 93 0 0 8 11 NA 0 0.461 0.396 0.389 -1.591 -1.615 -1.358 -1.972 -1.705 -1.468 -1.955 -1.067 -0.693 -0.476 -0.359 -0.297 1.349 0.213 0.214 0.999 0.483 0.470 19 21 21 19 20 14 NA NA NA REFMAC_5.8.0238 2020 1.81 1.81 55.03 23138 1164 5.0 1164 8.0 112.962 52.752 52.752 90 102.994 90 31.94 31.38 ISOT SIMP 1.3 0.9 0.9 0 1 REDO 0 0 'C 1 2 1' 0 1 8 6 0.006 0.005 0.005 0.876 0.878 0.894 1.81 0.958 0.955 -3.70 0.929 0.931 0.36 0.91260 0 34.27 X-ray 99.5 0 0 1 0 2024-03-30 3 0 32 43 52 78 28 38 68 72 26 42 NA NA NA 69 66 0 0 0.511 0.504 0.514 0.538 0.542 0.579 0.0564 -1.17 -0.43 -0.21 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 0.9458 0.9296 0.9459 0.9303 0.9218 0.9070 F 0.9 11
