5re7 8.07 0.1673 0.225 0.1902 0.2393 0.0069 0.2262 -1.90 0.1813 0.2320 0.0067 0.2156 -2.45 0.1879 0.2394 0.0069 0.2235 -2.30 1.1893 0.50 0.03 0.03 96 0 0 6 5 NA 0 0.473 0.409 0.429 -1.570 -1.643 -1.461 -1.134 -0.933 -0.813 -1.450 -0.650 -0.387 -0.342 -0.334 -0.308 1.318 0.310 0.312 0.984 0.555 0.540 20 12 15 12 12 14 NA NA NA REFMAC_5.8.0238 2020 1.79 1.79 55.08 24133 1204 5.0 1204 7.9 113.118 52.802 52.802 90 103.125 90 30.07 33.83 ISOT SIMP 1.3 0.9 0.9 0 1 REDO 0 0 'C 1 2 1' 0 0 14 1 0.006 0.003 0.003 0.863 0.859 0.850 1.79 0.957 0.958 1.29 0.938 0.938 0.00 0.91260 0 34.69 X-ray 99.4 0 0 1 0 2024-03-30 3 0 52 61 62 84 29 33 68 81 18 14 NA NA NA 69 67 0 0 0.525 0.512 0.517 0.538 0.553 0.570 0.0569 -1.21 -1.59 -1.49 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 0.9649 0.9535 0.9618 0.9507 0.9644 0.9532 F 1.0 15
