0.019 723.0 84.15 292.1 292.4 0.21 0.22 52.0 293.1 299.2 0.19 0.19 0.057 1454.0 98.7 350.9 346.1 0.17 0.18 66.0 332.3 329.1 0.14 0.14 0.095 1807.0 97.86 276.4 266.8 0.2 0.19 113.0 293.0 284.9 0.16 0.15 0.132 2143.0 97.91 188.7 185.7 0.24 0.27 103.0 177.6 178.5 0.26 0.28 0.17 2335.0 97.14 155.2 150.3 0.25 0.26 144.0 167.7 154.0 0.21 0.23 0.208 2577.0 96.12 140.9 129.5 0.26 0.27 151.0 138.2 130.8 0.27 0.28 0.245 2809.0 96.76 119.6 107.5 0.28 0.28 151.0 126.5 110.4 0.26 0.27 0.283 2916.0 93.73 93.9 87.9 0.3 0.29 165.0 87.9 84.5 0.34 0.31 0.321 2931.0 88.75 76.8 72.5 0.32 0.31 155.0 75.8 70.6 0.31 0.28 0.358 2874.0 83.09 60.8 59.3 0.34 0.32 162.0 62.5 58.9 0.33 0.32 0.396 3022.0 82.69 54.0 52.2 0.34 0.32 173.0 53.6 53.3 0.37 0.34 0.434 3170.0 83.43 48.0 45.8 0.35 0.31 178.0 44.7 44.0 0.39 0.33 0.471 3248.0 81.57 42.4 40.8 0.36 0.32 173.0 41.2 39.0 0.34 0.3 0.509 3316.0 80.92 38.2 36.2 0.37 0.32 192.0 38.4 36.9 0.34 0.29 0.547 3417.0 79.43 34.6 33.0 0.38 0.33 150.0 35.5 33.6 0.37 0.34 0.584 3427.0 77.12 32.3 30.1 0.4 0.35 166.0 33.7 30.7 0.41 0.36 0.622 3494.0 76.72 30.4 28.0 0.39 0.35 170.0 29.9 27.2 0.36 0.31 0.66 3493.0 74.92 29.1 25.7 0.39 0.36 187.0 28.7 26.0 0.37 0.33 0.697 3544.0 74.44 27.3 23.9 0.4 0.37 205.0 26.1 24.3 0.37 0.35 0.735 3401.0 69.25 26.3 22.5 0.41 0.38 182.0 23.2 20.7 0.43 0.41 M(4SSQ/LL) NR_used %_obs M(Fo_used) M(Fc_used) Rf_used WR_used NR_free M(Fo_free) M(Fc_free) Rf_free WR_free Rf_used o 5 b - 1 WR_used s 5 g - 1 Rf_free d 5 r - 1 WR_free ^ 5 c - 1 oneoversqrt Resolution / Å R factor oneoversqrt oneoversqrt 0.0192 518.0 0.919 205.0 0.855 723.0 0.901 0.981 0.0569 1173.0 0.949 281.0 0.872 1454.0 0.935 0.98 0.0946 1535.0 0.922 272.0 0.878 1807.0 0.915 0.98 0.1323 1872.0 0.863 271.0 0.812 2143.0 0.857 0.974 0.1699 2078.0 0.847 257.0 0.779 2335.0 0.839 0.964 0.2076 2318.0 0.852 259.0 0.825 2577.0 0.85 0.991 0.2453 2543.0 0.814 266.0 0.748 2809.0 0.807 0.996 0.283 2677.0 0.79 239.0 0.748 2916.0 0.787 0.963 0.3206 2720.0 0.76 211.0 0.69 2931.0 0.755 0.911 0.3583 2692.0 0.73 182.0 0.63 2874.0 0.724 0.868 0.396 2843.0 0.705 179.0 0.663 3022.0 0.703 0.845 0.4337 2988.0 0.724 182.0 0.646 3170.0 0.719 0.853 0.4713 3081.0 0.743 167.0 0.698 3248.0 0.741 0.853 0.509 3146.0 0.701 170.0 0.661 3316.0 0.699 0.836 0.5467 3256.0 0.691 161.0 0.67 3417.0 0.69 0.826 0.5844 3290.0 0.623 137.0 0.6 3427.0 0.623 0.8 0.622 3345.0 0.691 149.0 0.661 3494.0 0.689 0.835 0.6597 3355.0 0.678 138.0 0.624 3493.0 0.676 0.839 0.6974 3402.0 0.688 142.0 0.641 3544.0 0.686 0.853 0.7351 3270.0 0.662 131.0 0.616 3401.0 0.661 0.836 <4SSQ/LL> NREFa FOMa NREFc FOMc NREFall FOMall SigmaA_Fc1 FOMa o 5 b - 1 FOMc s 5 g - 1 FOMall d 5 r - 1 SigmaA_Fc1 ^ 5 c - 1 <4SSQ/LL> 0.019 723.0 84.15 302.3 307.0 0.19 0.2 52.0 303.3 321.4 0.21 0.21 0.057 1454.0 98.7 363.1 354.9 0.15 0.15 66.0 343.8 328.0 0.15 0.15 0.095 1807.0 97.86 286.1 274.8 0.17 0.16 113.0 303.2 298.0 0.16 0.15 0.132 2143.0 97.91 195.2 194.3 0.2 0.21 103.0 183.8 181.8 0.25 0.26 0.17 2335.0 97.14 160.6 161.0 0.19 0.21 144.0 173.5 163.7 0.22 0.23 0.208 2577.0 96.12 145.8 139.2 0.18 0.19 151.0 143.0 135.4 0.19 0.2 0.245 2809.0 96.76 123.8 118.0 0.18 0.18 151.0 130.9 121.2 0.19 0.21 0.283 2916.0 93.73 97.2 95.3 0.18 0.18 165.0 90.9 89.6 0.23 0.22 0.321 2931.0 88.75 79.5 79.6 0.18 0.17 155.0 78.4 80.2 0.21 0.2 0.358 2874.0 83.09 62.9 63.9 0.18 0.17 162.0 64.7 64.6 0.22 0.2 0.396 3022.0 82.69 55.9 56.4 0.18 0.16 173.0 55.4 57.5 0.2 0.17 0.434 3170.0 83.43 49.7 49.4 0.18 0.16 178.0 46.2 46.5 0.21 0.19 0.471 3248.0 81.57 43.9 43.8 0.19 0.16 173.0 42.7 42.0 0.2 0.17 0.509 3316.0 80.92 39.5 39.5 0.2 0.17 192.0 39.8 39.1 0.22 0.18 0.547 3417.0 79.43 35.8 36.1 0.21 0.17 150.0 36.7 35.9 0.22 0.19 0.584 3427.0 77.12 33.4 33.1 0.22 0.18 166.0 34.9 34.2 0.24 0.2 0.622 3494.0 76.72 31.4 30.6 0.22 0.18 170.0 30.9 30.5 0.23 0.19 0.66 3493.0 74.92 30.1 28.4 0.22 0.19 187.0 29.6 28.0 0.23 0.21 0.697 3544.0 74.44 28.3 26.3 0.24 0.21 205.0 27.0 25.4 0.27 0.23 0.735 3401.0 69.25 27.2 24.8 0.24 0.21 182.0 24.0 21.6 0.27 0.25 M(4SSQ/LL) NR_used %_obs M(Fo_used) M(Fc_used) Rf_used WR_used NR_free M(Fo_free) M(Fc_free) Rf_free WR_free oneoversqrt oneoversqrt oneoversqrt 0.0192 518.0 0.921 205.0 0.846 723.0 0.9 0.987 0.0569 1173.0 0.947 281.0 0.874 1454.0 0.933 0.986 0.0946 1535.0 0.923 272.0 0.867 1807.0 0.914 0.985 0.1323 1872.0 0.871 271.0 0.81 2143.0 0.864 0.976 0.1699 2078.0 0.863 257.0 0.784 2335.0 0.855 0.96 0.2076 2318.0 0.888 259.0 0.848 2577.0 0.884 0.991 0.2453 2543.0 0.889 266.0 0.862 2809.0 0.886 0.999 0.283 2677.0 0.892 239.0 0.833 2916.0 0.887 0.982 0.3206 2720.0 0.876 211.0 0.848 2931.0 0.874 0.945 0.3583 2692.0 0.875 182.0 0.776 2874.0 0.869 0.935 0.396 2843.0 0.892 179.0 0.858 3022.0 0.89 0.936 0.4337 2988.0 0.898 182.0 0.842 3170.0 0.895 0.948 0.4713 3081.0 0.9 167.0 0.845 3248.0 0.897 0.95 0.509 3146.0 0.867 170.0 0.854 3316.0 0.867 0.933 0.5467 3256.0 0.862 161.0 0.873 3417.0 0.863 0.924 0.5844 3290.0 0.849 137.0 0.814 3427.0 0.847 0.924 0.622 3345.0 0.863 149.0 0.81 3494.0 0.861 0.946 0.6597 3355.0 0.867 138.0 0.84 3493.0 0.866 0.966 0.6974 3402.0 0.842 142.0 0.846 3544.0 0.842 0.97 0.7351 3270.0 0.844 131.0 0.839 3401.0 0.844 0.986 <4SSQ/LL> NREFa FOMa NREFc FOMc NREFall FOMall SigmaA_Fc1 0.0 0.2783 0.2668 0.741 250301.0 13484.0 0.0284 1.426 4.57 2.469 0.17 1.0 0.227 0.2359 0.805 241026.0 13136.4 0.0299 1.371 2.898 1.47 0.163 2.0 0.2057 0.2194 0.837 235671.0 12917.0 0.0307 1.373 2.642 1.33 0.169 3.0 0.195 0.2111 0.854 232521.0 12787.8 0.0323 1.43 2.562 1.296 0.173 4.0 0.1898 0.2073 0.862 230729.0 12713.8 0.0327 1.434 2.485 1.259 0.175 5.0 0.1873 0.2056 0.867 229749.0 12676.0 0.0325 1.413 2.409 1.221 0.175 6.0 0.1861 0.2048 0.87 229236.0 12657.3 0.032 1.38 2.338 1.184 0.174 7.0 0.1854 0.2044 0.871 228920.0 12648.3 0.0321 1.38 2.312 1.172 0.177 8.0 0.1849 0.2044 0.872 228742.0 12645.4 0.0322 1.384 2.301 1.168 0.181 9.0 0.1848 0.2045 0.873 228632.0 12645.6 0.0323 1.388 2.296 1.166 0.187 10.0 0.1849 0.2045 0.873 228629.0 12648.1 0.0317 1.352 2.254 1.142 0.189 Ncyc Rfact Rfree FOM -LL -LLfree rmsBOND zBOND rmsANGL zANGL rmsCHIRAL Some label 1.0 1.0 2.0 1.0 1.5 1.5 3.0 3.0 2.0 5.0 7.5 0.5 My test y-label, whoot, whoop!!! My test r-y-label, whoo, true