3tit 8.13 0.19226 0.23493 0.1990 0.2422 0.0061 0.2335 -1.43 0.1767 0.2224 0.0056 0.2073 -2.70 0.1762 0.2244 0.0056 0.2067 -3.16 1.1732 0.10 0.10 0.10 15 0 0 11 12 NA 0 -0.369 -0.311 -0.246 -0.761 -0.694 -0.794 -1.110 -0.459 -0.536 -1.576 -1.288 -1.175 -0.225 -0.206 -0.204 1.141 0.555 0.543 0.867 0.714 0.700 6 9 7 17 16 17 NA NA NA REFMAC_5.5.0110 2011 1.99 1.99 37.71 31260 1583 5.1 1583 11.1 108.01 83.14 53.48 90 104.63 90 27.87 34.58 ISOT SIMP 1.0 0.7 0.7 1 2 REDO 1 0 'C 1 2 1' 20 0 8 0 0.003 0.004 0.012 0.886 0.888 0.882 1.99 0.941 0.954 15.57 0.917 0.931 2.70 0.91841 0 63.63 X-ray 98.9 0 0 1 0 2025-02-19 3 0 52 69 60 68 62 61 81 51 34 30 NA NA NA 32 37 0 0 0.504 0.528 0.522 0.521 0.544 0.543 0.0487 -0.90 -1.75 -2.06 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 0.9666 0.9526 0.9729 0.9604 0.9733 0.9610 F 1.0 28 0 8644.0
