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= 15.90 B-factor= 22.68 eigenvalues 22.68 22.68 22.68 Limit of resolution = 1.44±0.00 with max.allowed total time = 600.0 and I/Sigma = 2.0 ------------------------------------------------------------------------ Table (Option: dose is minimal) ===================================== Phi_start = 94.0 Phi_finish = 114.0 Overall Completeness = 99.7% and Redundancy = 2.48 Ratio I/Sigma = 2.0 --------------------------------------------------------- Resolution |Compl.|Redundancy|DataCol_Time |Exposure_Time| [Angst.] | % | | h: min | h: min | ------------|------|----------|-------------|-------------| 12.00 6.30 | 93.8| 2.47 | 0: 0.15 | 0: 0.01 | 6.30 4.80 | 96.2| 2.49 | 0: 0.15 | 0: 0.01 | 4.80 4.02 | 98.7| 2.61 | 0: 0.15 | 0: 0.01 | 4.02 3.54 | 100.0| 2.46 | 0: 0.15 | 0: 0.01 | 3.54 3.19 | 99.5| 2.49 | 0: 0.15 | 0: 0.01 | 3.19 2.93 | 100.0| 2.48 | 0: 0.15 | 0: 0.01 | 2.93 2.72 | 100.0| 2.49 | 0: 0.15 | 0: 0.01 | 2.72 2.56 | 100.0| 2.55 | 0: 0.15 | 0: 0.01 | 2.56 2.42 | 100.0| 2.53 | 0: 0.15 | 0: 0.01 | 2.42 2.30 | 99.6| 2.48 | 0: 0.15 | 0: 0.02 | 2.30 2.19 | 99.3| 2.48 | 0: 0.16 | 0: 0.03 | 2.19 2.10 | 99.3| 2.55 | 0: 0.17 | 0: 0.03 | 2.10 2.02 | 99.3| 2.49 | 0: 0.18 | 0: 0.05 | 2.02 1.95 | 99.7| 2.48 | 0: 0.21 | 0: 0.08 | 1.95 1.89 | 99.7| 2.49 | 0: 0.33 | 0: 0.13 | 1.89 1.83 | 100.0| 2.48 | 0: 0.40 | 0: 0.20 | 1.83 1.77 | 100.0| 2.48 | 0: 0.55 | 0: 0.30 | 1.77 1.73 | 100.0| 2.45 | 0: 0.77 | 0: 0.45 | 1.73 1.68 | 100.0| 2.46 | 0: 1.05 | 0: 0.67 | 1.68 1.64 | 100.0| 2.47 | 0: 1.36 | 0: 0.91 | 1.64 1.60 | 100.0| 2.49 | 0: 1.90 | 0: 1.34 | 1.60 1.56 | 100.0| 2.46 | 0: 2.70 | 0: 1.95 | 1.56 1.53 | 100.0| 2.47 | 0: 4.00 | 0: 3.03 | 1.53 1.50 | 100.0| 2.43 | 0: 4.93 | 0: 3.96 | 1.50 1.47 | 100.0| 2.41 | 0: 6.95 | 0: 5.83 | ---------------------------------------------------------- Plan of data collection ======================== Resol. = 1.48 I/Sigma = 2.0 Overal Complet. = 99.7% Redund. = 2.48 Attenuation = 1.0000 Total Exposure time = 307.6 s ( 0.085 hour) Total Data Collection time = 374.6 s ( 0.104 hour) ----------------------------------------------------- N|phi_strt|n.of.img|width| exposure|distans|overlap| ----------------------------------------------------- 1 94.00 67 0.30 4.59 197.2 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 349812.9 6148.6 56.9 1.8 0.2 0.3 0.4 0.5 0.7 1.1 5.96 6.30 4.80 255395.9 4531.8 56.4 1.8 0.2 0.3 0.4 0.5 0.8 1.4 4.12 4.80 4.02 364408.1 6402.5 56.9 1.8 0.2 0.3 0.3 0.4 0.7 1.2 3.66 4.02 3.54 269338.7 4857.4 55.4 1.8 0.3 0.4 0.5 0.7 1.2 2.2 0.57 3.54 3.19 175680.3 3127.9 56.2 1.8 0.3 0.4 0.5 0.8 1.4 2.6 0.02 3.19 2.93 105256.8 1899.7 55.4 1.8 0.4 0.6 0.8 1.2 2.0 3.9 0.00 2.93 2.72 66578.8 1224.6 54.4 1.9 0.5 0.8 1.1 1.6 3.0 5.8 0.00 2.72 2.56 47337.4 889.3 53.2 1.9 0.6 1.1 1.5 2.2 4.1 8.2 0.00 2.56 2.42 35541.3 692.0 51.4 2.0 0.8 1.4 1.9 3.0 5.6 11.0 0.00 2.42 2.30 28568.8 585.2 48.8 2.1 1.0 1.8 2.5 4.0 7.4 14.6 0.00 2.30 2.19 23280.1 521.3 44.7 2.3 1.4 2.5 3.6 5.6 10.6 20.7 0.00 2.19 2.10 18186.4 425.4 42.7 2.4 1.5 2.8 4.0 6.3 12.0 23.3 0.00 2.10 2.02 13739.9 359.8 38.2 2.6 2.0 3.6 5.2 8.2 15.5 29.6 0.00 2.02 1.95 9749.1 296.7 32.9 3.1 2.6 4.8 6.8 10.9 20.3 37.9 0.00 1.95 1.89 6666.9 278.1 24.0 4.2 3.9 7.4 10.6 16.8 30.6 53.8 0.00 1.89 1.83 4598.0 232.8 19.8 5.1 5.0 9.3 13.4 21.0 37.6 63.0 0.00 1.83 1.77 3242.5 212.8 15.2 6.6 6.6 12.3 17.6 27.3 47.2 74.0 0.00 1.77 1.73 2402.1 208.6 11.5 8.7 8.8 16.3 23.1 35.2 58.1 83.9 0.00 1.73 1.68 1820.2 213.2 8.5 11.7 11.7 21.6 30.2 44.8 69.6 91.6 0.00 1.68 1.64 1402.0 211.7 6.6 15.1 14.8 26.8 37.1 53.6 78.5 95.8 0.00 1.64 1.60 1108.6 210.5 5.3 19.0 18.2 32.6 44.4 62.1 85.5 98.0 0.00 1.60 1.56 861.6 222.6 3.9 25.8 23.8 41.4 54.9 73.1 92.6 99.4 0.00 1.56 1.53 676.9 220.8 3.1 32.6 29.1 49.2 63.4 80.9 96.0 99.8 0.00 1.53 1.50 531.1 209.4 2.5 39.1 33.8 55.7 70.1 86.3 97.9 99.9 0.00 1.50 1.48 433.3 216.8 2.0 49.8 40.6 64.2 78.2 91.8 99.1 100.0 0.00 All data 39637.7 834.9 47.5 2.1 10.3 17.9 23.7 32.2 44.2 55.8 0.36 ------------------------------------------------------------------------------------------