5r80 8.07 0.173 0.2346 0.1823 0.2417 0.0077 0.2179 -3.09 0.1797 0.2377 0.0076 0.2148 -3.01 0.1884 0.2439 0.0077 0.2252 -2.43 1.1952 0.80 0.03 0.03 112 0 0 8 9 NA 0 0.421 0.428 0.501 -1.521 -1.508 -1.188 -1.767 -1.579 -1.464 -2.143 -1.419 -1.120 -0.567 -0.379 -0.347 1.310 0.360 0.374 0.996 0.581 0.584 26 23 20 13 12 14 NA NA NA REFMAC_5.8.0238 2020 1.93 1.93 55.12 19175 991 5.2 991 6.7 112.891 53.03 53.03 90 102.457 90 40.18 42.91 ISOT SIMP 1.2 1.0 1.0 1 1 REDO 0 0 'C 1 2 1' 1 0 13 0 0.006 0.006 0.010 0.885 0.885 0.887 1.93 0.964 0.963 -1.33 0.934 0.934 0.00 0.91260 0 34.96 X-ray 98.7 0 0 1 0 2024-03-30 3 0 36 43 48 70 31 45 68 56 33 35 NA NA NA 67 70 0 0 0.515 0.522 0.523 0.546 0.545 0.552 0.0609 -2.15 -2.09 -1.63 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 0.9652 0.9519 0.9655 0.9524 0.9640 0.9494 F 1.0 19
