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 =100.00% scal= 21.97 B-factor= 36.38 eigenvalues 36.38 36.38 36.38 Limit of resolution = 1.75±0.03 with max.allowed total time = 600.0 and I/Sigma = 2.0 ------------------------------------------------------------------------ Table (Option: dose is minimal) ===================================== Phi_start = 36.0 Phi_finish = 58.0 Overall Completeness = 99.2% and Redundancy = 2.74 Ratio I/Sigma = 2.0 --------------------------------------------------------- Resolution |Compl.|Redundancy|DataCol_Time |Exposure_Time| [Angst.] | % | | h: min | h: min | ------------|------|----------|-------------|-------------| 12.00 6.30 | 91.7| 2.75 | 0: 0.17 | 0: 0.02 | 6.30 4.80 | 93.1| 2.83 | 0: 0.17 | 0: 0.01 | 4.80 4.02 | 95.4| 2.86 | 0: 0.17 | 0: 0.01 | 4.02 3.54 | 96.1| 2.82 | 0: 0.17 | 0: 0.02 | 3.54 3.19 | 96.9| 2.74 | 0: 0.17 | 0: 0.01 | 3.19 2.93 | 97.6| 2.77 | 0: 0.17 | 0: 0.02 | 2.93 2.72 | 98.2| 2.81 | 0: 0.17 | 0: 0.02 | 2.72 2.56 | 99.2| 2.77 | 0: 0.19 | 0: 0.04 | 2.56 2.42 | 99.2| 2.80 | 0: 0.22 | 0: 0.07 | 2.42 2.30 | 100.0| 2.77 | 0: 0.25 | 0: 0.10 | 2.30 2.19 | 99.7| 2.69 | 0: 0.33 | 0: 0.16 | 2.19 2.10 | 99.7| 2.72 | 0: 0.47 | 0: 0.26 | 2.10 2.02 | 100.0| 2.76 | 0: 0.74 | 0: 0.45 | 2.02 1.95 | 100.0| 2.81 | 0: 1.12 | 0: 0.78 | 1.95 1.89 | 100.0| 2.70 | 0: 2.23 | 0: 1.70 | 1.89 1.83 | 100.0| 2.70 | 0: 4.07 | 0: 3.33 | 1.83 1.77 | 100.0| 2.72 | 0: 6.68 | 0: 5.86 | 1.77 1.73 | 100.0| 2.69 | 0:13.92 | 0:12.45 | 1.73 1.68 | 100.0| 2.72 | 0:25.23 | 0:23.77 | 1.68 1.64 | 100.0| 2.71 | 0:54.55 | 0:50.88 | 1.64 1.60 | 100.0| 2.74 | 1:55.93 | 1:52.26 | 1.60 1.56 | 100.0| 2.68 | 4:15.41 | 4:11.74 | 1.56 1.53 | 100.0| 2.72 | 10:22.57 | 10:18.90 | 1.53 1.50 | 100.0| 2.70 | 19:16.84 | 19:13.17 | 1.50 1.47 | 100.0| 2.66 | 25:12.17 | 25: 8.50 | ---------------------------------------------------------- Plan of data collection ======================== Resol. = 1.75 I/Sigma = 2.0 Overal Complet. = 98.7% Redund. = 2.76 Attenuation = 1.0000 Total Exposure time = 532.6 s ( 0.148 hour) Total Data Collection time = 595.6 s ( 0.165 hour) ----------------------------------------------------- N|phi_strt|n.of.img|width| exposure|distans|overlap| ----------------------------------------------------- 1 36.00 63 0.35 8.45 246.6 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 6.30 361510.7 6009.9 60.2 1.8 0.2 0.3 0.4 0.5 0.8 1.2 8.59 6.30 4.80 229506.9 3767.4 60.9 1.9 0.2 0.4 0.5 0.6 1.0 1.6 4.47 4.80 4.02 290867.6 4778.1 60.9 1.9 0.2 0.3 0.4 0.5 0.8 1.4 2.67 4.02 3.54 189973.0 3129.7 60.7 1.9 0.3 0.5 0.6 0.9 1.4 2.5 0.20 3.54 3.19 109485.7 1845.4 59.3 1.9 0.3 0.5 0.7 1.1 1.8 3.3 0.00 3.19 2.93 57857.2 996.5 58.1 1.9 0.5 0.8 1.1 1.7 3.0 5.7 0.00 2.93 2.72 32281.3 582.6 55.4 2.0 0.7 1.3 1.8 2.7 5.0 9.7 0.00 2.72 2.56 20232.0 395.3 51.2 2.1 1.1 1.9 2.7 4.1 7.6 14.9 0.00 2.56 2.42 13400.8 297.7 45.0 2.4 1.6 2.8 4.0 6.2 11.6 22.5 0.00 2.42 2.30 9501.8 248.6 38.2 2.9 2.2 4.0 5.6 8.9 16.6 31.3 0.00 2.30 2.19 6833.1 235.3 29.0 3.7 3.2 6.0 8.6 13.6 25.0 45.1 0.00 2.19 2.10 4711.8 202.4 23.3 4.7 4.2 7.9 11.3 17.8 32.3 55.8 0.00 2.10 2.02 3143.2 189.6 16.6 6.6 6.2 11.5 16.5 25.6 44.6 70.8 0.00 2.02 1.95 1968.4 178.3 11.0 9.8 9.2 17.1 24.3 36.7 59.9 85.0 0.00 1.95 1.89 1187.9 178.6 6.7 16.2 15.0 27.1 37.5 53.9 78.4 95.5 0.00 1.89 1.83 722.9 162.9 4.4 24.8 21.7 38.0 50.8 68.7 89.6 98.7 0.00 1.83 1.77 449.6 158.1 2.8 37.9 31.0 51.8 66.1 83.1 96.7 99.8 0.00 1.77 1.75 321.3 160.7 2.0 53.5 40.7 64.2 78.2 91.6 99.1 100.0 0.00 All data 42928.1 807.5 53.2 2.1 9.1 15.7 20.9 28.4 39.4 50.9 0.64 ------------------------------------------------------------------------------------------