Program Best /A.Popov & G.Bourenkov/ Version 3.0.0 // 5.01.2006 Copyright 2004-05 by Alexander Popov and Gleb Bourenkov ****** ERROR IN PARAMETERS ******* Please check a correspondence between parameters in detector-inf.dat and MOSFLM-PARAMETER.dat ------------------------------------------------------------------------ Relative n.of achievable unique reflections = 96.09% scal= 7.80 B-factor= 5.88 eigenvalues 4.03 6.74 8.81 Limit of resolution = 1.43±0.04 with max.allowed total time = 600.0 and I/Sigma = 2.0 ------------------------------------------------------------------------ Table (Option: dose is minimal) ===================================== Phi_start = 44.0 Phi_finish = 283.0 Overall Completeness = 95.2% and Redundancy = 1.34 Ratio I/Sigma = 2.0 --------------------------------------------------------- Resolution |Compl.|Redundancy|DataCol_Time |Exposure_Time| [Angst.] | % | | h: min | h: min | ------------|------|----------|-------------|-------------| 12.00 5.73 | 100.0| 1.31 | 0: 1.96 | 0: 0.18 | 5.73 4.31 | 100.0| 1.40 | 0: 1.96 | 0: 0.18 | 4.31 3.59 | 96.3| 1.31 | 0: 1.96 | 0: 0.18 | 3.59 3.15 | 98.4| 1.29 | 0: 1.96 | 0: 0.18 | 3.15 2.84 | 98.3| 1.36 | 0: 1.96 | 0: 0.18 | 2.84 2.60 | 97.4| 1.35 | 0: 2.20 | 0: 0.20 | 2.60 2.42 | 99.4| 1.42 | 0: 2.51 | 0: 0.23 | 2.42 2.27 | 96.6| 1.26 | 0: 2.93 | 0: 0.27 | 2.27 2.14 | 97.9| 1.33 | 0: 3.16 | 0: 0.31 | 2.14 2.03 | 96.4| 1.34 | 0: 3.47 | 0: 0.41 | 2.03 1.94 | 99.0| 1.34 | 0: 4.23 | 0: 0.59 | 1.94 1.86 | 93.5| 1.36 | 0: 5.08 | 0: 0.88 | 1.86 1.79 | 96.5| 1.31 | 0: 6.34 | 0: 1.36 | 1.79 1.73 | 93.4| 1.41 | 0: 7.45 | 0: 1.75 | 1.73 1.67 | 98.2| 1.31 | 0: 9.14 | 0: 2.49 | 1.67 1.62 | 96.3| 1.33 | 0:10.26 | 0: 3.01 | 1.62 1.57 | 93.6| 1.34 | 0:12.75 | 0: 3.88 | 1.57 1.53 | 93.4| 1.36 | 0:14.91 | 0: 4.95 | 1.53 1.49 | 92.6| 1.36 | 0:17.68 | 0: 6.30 | 1.49 1.45 | 94.2| 1.36 | 0:21.65 | 0: 8.36 | 1.45 1.41 | 94.4| 1.35 | 0:26.95 | 0:11.02 | 1.41 1.38 | 93.2| 1.33 | 0:33.48 | 0:13.57 | 1.38 1.35 | 90.8| 1.36 | 0:36.04 | 0:16.13 | 1.35 1.32 | 94.4| 1.38 | 0:38.55 | 0:18.63 | 1.32 1.30 | 92.8| 1.32 | 0:50.42 | 0:23.86 | ---------------------------------------------------------- Plan of data collection ======================== Resol. = 1.43 I/Sigma = 2.0 Overal Complet. = 95.9% Redund. = 1.34 Attenuation = 1.0000 Total Exposure time = 577.7 s ( 0.160 hour) Total Data Collection time = 1374.7 s ( 0.382 hour) ----------------------------------------------------- N|phi_strt|n.of.img|width| exposure|distans|overlap| ----------------------------------------------------- 1 44.00 797 0.30 0.72 118.9 No ----------------------------------------------------- Statistical prediction ====================== ------------------------------------------------------------------------------------------ Resolution Average % with I / Sigma less than Overload Lower Upper Intensity Error I/Sigma R-fact 1 2 3 5 10 20 % ------------------------------------------------------------------------------------------ 12.00 5.73 23286.6 607.5 38.3 1.2 0.2 0.4 0.6 1.0 2.2 5.1 0.00 5.73 4.31 29737.5 819.5 36.3 1.4 0.8 1.7 2.5 4.2 8.4 18.0 0.00 4.31 3.59 32874.0 984.1 33.4 1.4 1.2 2.3 3.5 5.8 11.6 24.4 0.00 3.59 3.15 23451.2 825.0 28.4 1.7 2.0 4.0 5.9 9.7 18.9 37.8 0.00 3.15 2.84 14887.6 623.9 23.9 2.1 2.9 5.7 8.5 13.8 26.2 49.7 0.00 2.84 2.60 10643.2 530.9 20.0 2.4 3.8 7.5 11.1 17.9 33.3 59.9 0.00 2.60 2.42 8890.6 510.7 17.4 2.8 4.7 9.2 13.4 21.5 39.2 67.4 0.00 2.42 2.27 8070.5 533.2 15.1 3.0 5.6 11.0 16.0 25.3 45.1 74.0 0.00 2.27 2.14 7415.7 543.7 13.6 3.7 6.5 12.5 18.2 28.5 49.7 78.3 0.00 2.14 2.03 6419.2 551.1 11.6 4.2 7.8 14.9 21.6 33.4 56.3 84.0 0.00 2.03 1.94 5067.3 526.0 9.6 5.2 9.6 18.3 26.1 39.7 64.2 89.5 0.00 1.94 1.86 3796.6 496.2 7.7 6.5 12.2 22.9 32.3 47.8 73.1 94.2 0.00 1.86 1.79 2868.5 476.9 6.0 8.0 15.6 28.6 39.6 56.8 81.4 97.2 0.00 1.79 1.73 2336.3 462.9 5.0 10.0 18.4 33.3 45.4 63.3 86.4 98.5 0.00 1.73 1.67 1978.9 461.1 4.3 11.5 21.5 38.2 51.2 69.4 90.3 99.2 0.00 1.67 1.62 1758.9 468.8 3.8 12.6 24.3 42.5 56.0 74.1 93.0 99.6 0.00 1.62 1.57 1539.6 460.1 3.3 14.9 27.0 46.4 60.3 78.0 94.7 99.8 0.00 1.57 1.53 1375.4 465.4 3.0 17.1 30.2 50.7 64.9 81.8 96.3 99.9 0.00 1.53 1.49 1218.5 476.6 2.6 18.8 34.1 55.9 70.1 85.9 97.6 100.0 0.00 1.49 1.45 1057.3 476.1 2.2 22.4 38.3 61.0 74.9 89.2 98.6 100.0 0.00 1.45 1.43 954.9 476.7 2.0 25.1 41.5 64.8 78.3 91.3 99.0 100.0 0.00 All data 6230.1 526.8 11.8 4.1 17.8 30.6 40.1 53.2 70.2 84.3 0.00 ------------------------------------------------------------------------------------------