+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXD 2013/1 MACROMOLECULAR DIRECT AND PATTERSON METHODS + + Copyright(c) George M. Sheldrick 2000-2013 Multi-CPU version + + P21212_elastase_fa started at 16:38:17 on 19 Dec 2020 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ 12 threads running in parallel on 12 CPUs Read instructions and process reflection data ============================================= SHEL dmax 999.00 dmin 1.90 MIND mdis -1.500 mdeq -0.100 FRES res 2.5 SEED nrand 1 PATS np 100 npt 99999 nf 5 PSMF pres 2.5 psfac 0.340 FIND na 15 ncy 20 DSUL nss 0 dss 2.030 TANG ftan -0.900 fex 0.400 NTPR ntpr 100 SKIP min2 0.0 ESEL Emin 1.500 I/sigI 0.500 WEED fro 0.000 CCWT g 0.010 WEAK wwk 1.000 MAGI wd 0.000 d1 5.200 d2 6.500 NCS ncs 0 wn 5.000 tol 0.500 NTRY ntry 100 =============================================================================== 14865 unique data with d > 1.90A, mean(I/sigma) = 0.69, mean|E^2-1| = 0.957 1864 E > 1.500, average of 99.4 TPR for each phase, = 0.549 =============================================================================== Try 1, CPU 1, CC All/Weak 11.9 / 3.1, CFOM 15.0, best 15.0, PATFOM 2.75 Try 2, CPU 7, CC All/Weak 9.7 / 2.1, CFOM 11.8, best 15.0, PATFOM 2.17 Try 3, CPU 2, CC All/Weak 11.6 / 2.4, CFOM 14.0, best 15.0, PATFOM 2.49 Try 4, CPU 5, CC All/Weak 11.6 / 3.6, CFOM 15.3, best 15.3, PATFOM 2.47 Try 5, CPU 9, CC All/Weak 13.0 / 3.2, CFOM 16.1, best 16.1, PATFOM 2.59 Try 6, CPU12, CC All/Weak 11.5 / 4.1, CFOM 15.6, best 16.1, PATFOM 2.42 Try 7, CPU 8, CC All/Weak 10.6 / 2.2, CFOM 12.8, best 16.1, PATFOM 2.14 Try 8, CPU 3, CC All/Weak 10.7 / 2.7, CFOM 13.4, best 16.1, PATFOM 2.01 Try 9, CPU11, CC All/Weak 11.5 / 2.7, CFOM 14.2, best 16.1, PATFOM 2.65 Try 10, CPU10, CC All/Weak 13.5 / 5.9, CFOM 19.4, best 19.4, PATFOM 2.30 Try 11, CPU 4, CC All/Weak 12.6 / 2.6, CFOM 15.1, best 19.4, PATFOM 2.63 Try 12, CPU 6, CC All/Weak 12.5 / 3.2, CFOM 15.8, best 19.4, PATFOM 2.22 Try 13, CPU 1, CC All/Weak 12.5 / 2.4, CFOM 14.9, best 19.4, PATFOM 2.89 Try 14, CPU 7, CC All/Weak 11.0 / 1.7, CFOM 12.7, best 19.4, PATFOM 2.14 Try 15, CPU 9, CC All/Weak 9.4 / 1.3, CFOM 10.7, best 19.4, PATFOM 2.26 Try 16, CPU 5, CC All/Weak 12.1 / 2.7, CFOM 14.7, best 19.4, PATFOM 2.33 Try 17, CPU12, CC All/Weak 10.4 / 1.9, CFOM 12.2, best 19.4, PATFOM 2.87 Try 18, CPU 2, CC All/Weak 10.1 / 1.9, CFOM 12.0, best 19.4, PATFOM 2.44 Try 19, CPU 8, CC All/Weak 10.3 / 0.9, CFOM 11.1, best 19.4, PATFOM 1.99 Try 20, CPU 3, CC All/Weak 13.3 / 2.6, CFOM 15.9, best 19.4, PATFOM 3.08 Try 21, CPU11, CC All/Weak 11.1 / 1.9, CFOM 13.1, best 19.4, PATFOM 2.48 Try 22, CPU 4, CC All/Weak 10.4 / 3.4, CFOM 13.8, best 19.4, PATFOM 2.28 Try 23, CPU10, CC All/Weak 10.7 / 1.4, CFOM 12.2, best 19.4, PATFOM 2.06 Try 24, CPU 6, CC All/Weak 12.1 / 3.5, CFOM 15.6, best 19.4, PATFOM 2.23 Try 25, CPU 1, CC All/Weak 12.5 / 4.4, CFOM 16.9, best 19.4, PATFOM 2.29 Try 26, CPU 7, CC All/Weak 11.8 / 3.1, CFOM 14.9, best 19.4, PATFOM 2.45 Try 27, CPU 8, CC All/Weak 13.8 / 3.3, CFOM 17.1, best 19.4, PATFOM 3.04 Try 28, CPU 9, CC All/Weak 10.7 / 1.6, CFOM 12.3, best 19.4, PATFOM 2.33 Try 29, CPU12, CC All/Weak 15.1 / 4.9, CFOM 20.0, best 20.0, PATFOM 2.38 Try 30, CPU11, CC All/Weak 12.7 / 5.0, CFOM 17.7, best 20.0, PATFOM 2.83 Try 31, CPU 3, CC All/Weak 13.4 / 5.6, CFOM 19.0, best 20.0, PATFOM 3.44 Try 32, CPU 5, CC All/Weak 10.9 / 3.1, CFOM 13.9, best 20.0, PATFOM 2.39 Try 33, CPU 2, CC All/Weak 11.8 / 2.3, CFOM 14.2, best 20.0, PATFOM 2.13 Try 34, CPU10, CC All/Weak 10.8 / 3.6, CFOM 14.4, best 20.0, PATFOM 2.74 Try 35, CPU 6, CC All/Weak 10.0 / 2.5, CFOM 12.5, best 20.0, PATFOM 2.16 Try 36, CPU 4, CC All/Weak 11.9 / 3.7, CFOM 15.6, best 20.0, PATFOM 3.16 Try 37, CPU 1, CC All/Weak 11.2 / 3.7, CFOM 14.9, best 20.0, PATFOM 2.19 Try 38, CPU 7, CC All/Weak 12.8 / 3.5, CFOM 16.2, best 20.0, PATFOM 2.79 Try 39, CPU 8, CC All/Weak 13.3 / 4.1, CFOM 17.3, best 20.0, PATFOM 2.71 Try 40, CPU 9, CC All/Weak 9.7 / 1.2, CFOM 10.9, best 20.0, PATFOM 2.31 Try 41, CPU12, CC All/Weak 12.2 / 3.1, CFOM 15.2, best 20.0, PATFOM 3.05 Try 42, CPU11, CC All/Weak 13.1 / 2.7, CFOM 15.8, best 20.0, PATFOM 2.87 Try 43, CPU 3, CC All/Weak 11.6 / 3.5, CFOM 15.1, best 20.0, PATFOM 2.37 Try 44, CPU 5, CC All/Weak 11.4 / 1.7, CFOM 13.1, best 20.0, PATFOM 2.99 Try 45, CPU10, CC All/Weak 11.6 / 3.7, CFOM 15.3, best 20.0, PATFOM 2.43 Try 46, CPU 2, CC All/Weak 12.1 / 2.7, CFOM 14.8, best 20.0, PATFOM 2.31 Try 47, CPU 6, CC All/Weak 11.6 / 3.8, CFOM 15.5, best 20.0, PATFOM 2.38 Try 48, CPU 4, CC All/Weak 12.3 / 2.4, CFOM 14.6, best 20.0, PATFOM 2.69 Try 49, CPU 1, CC All/Weak 9.2 / 1.2, CFOM 10.5, best 20.0, PATFOM 2.59 Try 50, CPU 7, CC All/Weak 11.4 / 2.3, CFOM 13.6, best 20.0, PATFOM 2.25 Try 51, CPU 8, CC All/Weak 10.5 / 2.5, CFOM 13.1, best 20.0, PATFOM 2.57 Try 52, CPU 9, CC All/Weak 14.1 / 4.4, CFOM 18.5, best 20.0, PATFOM 2.64 Try 53, CPU12, CC All/Weak 10.1 / 2.1, CFOM 12.2, best 20.0, PATFOM 2.54 Try 54, CPU11, CC All/Weak 11.7 / 3.5, CFOM 15.2, best 20.0, PATFOM 2.89 Try 55, CPU 3, CC All/Weak 11.5 / 3.6, CFOM 15.1, best 20.0, PATFOM 2.52 Try 56, CPU 5, CC All/Weak 12.8 / 3.3, CFOM 16.1, best 20.0, PATFOM 3.06 Try 57, CPU10, CC All/Weak 12.2 / 3.0, CFOM 15.2, best 20.0, PATFOM 2.65 Try 58, CPU 2, CC All/Weak 11.1 / 3.1, CFOM 14.2, best 20.0, PATFOM 1.90 Try 59, CPU 6, CC All/Weak 11.6 / 2.7, CFOM 14.3, best 20.0, PATFOM 2.42 Try 60, CPU 4, CC All/Weak 12.3 / 2.9, CFOM 15.2, best 20.0, PATFOM 2.24 Try 61, CPU 1, CC All/Weak 10.4 / 3.0, CFOM 13.4, best 20.0, PATFOM 1.65 Try 62, CPU 7, CC All/Weak 11.3 / 3.0, CFOM 14.3, best 20.0, PATFOM 2.09 Try 63, CPU12, CC All/Weak 11.8 / 3.0, CFOM 14.8, best 20.0, PATFOM 2.37 Try 64, CPU11, CC All/Weak 10.0 / 2.1, CFOM 12.1, best 20.0, PATFOM 2.73 Try 65, CPU 3, CC All/Weak 10.9 / 2.8, CFOM 13.6, best 20.0, PATFOM 1.96 Try 66, CPU 5, CC All/Weak 12.5 / 3.8, CFOM 16.3, best 20.0, PATFOM 2.60 Try 67, CPU10, CC All/Weak 9.3 / 1.8, CFOM 11.1, best 20.0, PATFOM 1.87 Try 68, CPU 8, CC All/Weak 9.9 / 0.8, CFOM 10.7, best 20.0, PATFOM 2.54 Try 69, CPU 2, CC All/Weak 12.5 / 5.9, CFOM 18.3, best 20.0, PATFOM 2.26 Try 70, CPU 6, CC All/Weak 12.6 / 4.1, CFOM 16.8, best 20.0, PATFOM 2.84 Try 71, CPU 4, CC All/Weak 12.6 / 4.0, CFOM 16.6, best 20.0, PATFOM 2.34 Try 72, CPU 9, CC All/Weak 13.6 / 3.6, CFOM 17.2, best 20.0, PATFOM 2.29 Try 73, CPU 1, CC All/Weak 11.1 / 2.9, CFOM 14.0, best 20.0, PATFOM 2.59 Try 74, CPU 7, CC All/Weak 10.4 / 2.6, CFOM 13.0, best 20.0, PATFOM 2.56 Try 75, CPU12, CC All/Weak 11.9 / 2.9, CFOM 14.8, best 20.0, PATFOM 2.11 Try 76, CPU11, CC All/Weak 11.8 / 4.0, CFOM 15.8, best 20.0, PATFOM 2.37 Try 77, CPU 3, CC All/Weak 13.7 / 4.3, CFOM 18.0, best 20.0, PATFOM 2.84 Try 78, CPU 8, CC All/Weak 10.4 / 2.4, CFOM 12.7, best 20.0, PATFOM 2.25 Try 79, CPU10, CC All/Weak 11.0 / 2.3, CFOM 13.4, best 20.0, PATFOM 2.95 Try 80, CPU 5, CC All/Weak 13.1 / 3.0, CFOM 16.0, best 20.0, PATFOM 2.76 Try 81, CPU 2, CC All/Weak 10.3 / 2.6, CFOM 12.9, best 20.0, PATFOM 2.28 Try 82, CPU 6, CC All/Weak 12.1 / 4.7, CFOM 16.8, best 20.0, PATFOM 2.74 Try 83, CPU 4, CC All/Weak 11.2 / 1.3, CFOM 12.4, best 20.0, PATFOM 2.12 Try 84, CPU 9, CC All/Weak 11.2 / 2.6, CFOM 13.8, best 20.0, PATFOM 2.15 Try 85, CPU 1, CC All/Weak 11.9 / 2.8, CFOM 14.6, best 20.0, PATFOM 2.41 Try 86, CPU 7, CC All/Weak 9.7 / 1.2, CFOM 10.9, best 20.0, PATFOM 2.20 Try 87, CPU12, CC All/Weak 10.5 / 1.7, CFOM 12.2, best 20.0, PATFOM 2.36 Try 88, CPU11, CC All/Weak 12.7 / 4.9, CFOM 17.7, best 20.0, PATFOM 2.40 Try 89, CPU 3, CC All/Weak 12.5 / 3.9, CFOM 16.4, best 20.0, PATFOM 2.47 Try 90, CPU 8, CC All/Weak 12.7 / 3.2, CFOM 15.9, best 20.0, PATFOM 2.75 Try 91, CPU10, CC All/Weak 9.9 / 3.1, CFOM 13.0, best 20.0, PATFOM 2.44 Try 92, CPU 5, CC All/Weak 10.4 / 4.0, CFOM 14.4, best 20.0, PATFOM 2.87 Try 93, CPU 6, CC All/Weak 11.2 / 3.1, CFOM 14.3, best 20.0, PATFOM 2.67 Try 94, CPU 2, CC All/Weak 9.0 / -0.3, CFOM 8.8, best 20.0, PATFOM 2.25 Try 95, CPU 4, CC All/Weak 11.6 / 4.5, CFOM 16.1, best 20.0, PATFOM 2.28 Try 96, CPU 9, CC All/Weak 12.6 / 3.4, CFOM 16.0, best 20.0, PATFOM 2.82 Try 97, CPU12, CC All/Weak 12.4 / 2.1, CFOM 14.4, best 20.0, PATFOM 2.33 Try 98, CPU11, CC All/Weak 10.7 / -0.8, CFOM 9.9, best 20.0, PATFOM 2.28 Try 99, CPU 1, CC All/Weak 10.0 / 2.8, CFOM 12.9, best 20.0, PATFOM 2.12 Try 100, CPU 7, CC All/Weak 11.1 / 2.7, CFOM 13.8, best 20.0, PATFOM 2.74 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + P21212_elastase_ finished at 16:38:25 Elapsed time: 7.92 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++