7dgk 8.04 0.2057 0.2512 0.2081 0.2542 0.0066 0.2448 -1.42 0.2146 0.2538 0.0066 0.2525 -0.20 0.2148 0.2504 0.0065 0.2527 0.35 1.1764 0.80 0.05 0.05 10 0 0 18 3 NA 0 3.060 3.111 3.114 0.743 0.983 0.982 -1.234 0.665 0.892 -2.725 -1.916 -1.602 1.708 1.767 1.786 2.361 0.553 0.527 1.091 0.609 0.593 25 21 16 13 12 9 NA NA NA REFMAC_5.8.0258 2020 1.75 1.75 33.06 29414 1470 5.0 1470 10.4 55.202 62.409 82.553 90.00 90.00 90.00 37.22 38.50 ISOT SIMP 1.1 0.8 0.8 0 2 none 1 0 'P 21 21 21' 0 1 1 1 0.040 0.033 0.022 0.940 0.940 0.947 1.75 0.962 0.960 -3.09 0.946 0.947 0.26 1.00000 0 38.50 X-ray 99.5 0 0 1 0 2023-12-02 3 0 47 93 44 66 93 95 23 37 93 96 NA NA NA 100 100 0 0 0.512 0.537 0.547 0.516 0.538 0.555 0.0501 -0.90 -0.13 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 0.9583 0.9443 0.9483 0.9355 0.9487 0.9362
