5r81 8.07 0.182 0.2494 0.2078 0.2457 0.0078 0.2484 0.35 0.2010 0.2423 0.0077 0.2403 -0.26 0.2080 0.2499 0.0080 0.2486 -0.16 1.1953 0.50 0.01 0.01 132 0 0 7 7 NA 0 0.334 0.285 0.300 -1.623 -1.606 -1.378 -2.251 -1.335 -1.497 -2.713 -1.198 -1.266 -0.411 -0.260 -0.223 1.348 0.207 0.207 1.021 0.464 0.457 17 18 14 25 17 15 NA NA NA REFMAC_5.8.0238 2020 1.95 1.95 48.27 19192 985 5.1 985 6.7 113.78 53.49 53.49 90 101.7 90 44.70 48.36 ISOT SIMP 1.2 0.9 0.9 1 1 REDO 0 0 'C 1 2 1' 1 0 19 0 0.009 0.005 0.004 0.852 0.879 0.891 1.95 0.955 0.957 2.22 0.944 0.941 -0.60 0.91260 0 36.18 X-ray 99.7 0 0 1 0 2024-03-30 3 0 27 42 37 66 27 37 59 76 14 39 NA NA NA 64 62 0 0 0.508 0.509 0.505 0.502 0.533 0.536 0.0609 0.21 -0.17 -0.10 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 0.9576 0.9455 0.9590 0.9467 0.9574 0.9447 F 1.1 39
