3wg3 8.04 0.1400 0.1559 0.1364 0.1521 0.0022 0.1617 4.36 0.1167 0.1367 0.0020 0.1384 0.85 0.1165 0.1359 0.0019 0.1381 1.16 1.1856 0.30 1.50 1.80 18 0 0 3 6 NA 0 2.221 2.200 2.207 -0.217 -0.227 -0.166 0.115 0.138 0.130 0.173 0.228 0.392 -0.467 -0.484 -0.510 0.635 0.673 0.726 0.639 0.739 0.764 4 4 4 24 21 21 NA NA NA REFMAC_5.6.0117 2013 1.35 1.35 30.23 98506 4914 5.0 4914 31.2 102.921 102.921 74.694 90.00 90.00 120.00 17.25 20.61 ANISOT SIMP 1.0 0.7 0.7 0 0 none 1 0 'P 65' 54 0 47 4 0.002 0.002 0.001 0.909 0.914 0.913 1.35 0.976 0.980 19.94 0.972 0.977 4.94 1.00000 0 61.42 X-ray 99.5 0 0 1 0 2023-11-18 4 0 82 83 94 95 78 79 87 92 63 68 NA NA NA 99 99 0 0 0.514 0.510 0.513 0.583 0.592 0.589 0.0359 2.19 0.40 0.53 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 0.9912 0.9885 0.9938 0.9906 0.9938 0.9904
