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= 0.19 B-factor= 24.66 eigenvalues 24.66 24.66 24.66 Limit of resolution = 1.30±0.04 with max.allowed total time = 600.0 and I/Sigma = 2.0 ------------------------------------------------------------------------ Table (Option: dose is minimal) ===================================== Phi_start = 32.0 Phi_finish = 54.0 Overall Completeness = 99.3% and Redundancy = 2.74 Ratio I/Sigma = 2.0 --------------------------------------------------------- Resolution |Compl.|Redundancy|DataCol_Time |Exposure_Time| [Angst.] | % | | h: min | h: min | ------------|------|----------|-------------|-------------| 12.00 6.32 | 91.3| 2.74 | 0: 0.17 | 0: 0.01 | 6.32 4.82 | 92.8| 2.84 | 0: 0.17 | 0: 0.02 | 4.82 4.05 | 95.7| 2.92 | 0: 0.17 | 0: 0.02 | 4.05 3.55 | 96.1| 2.85 | 0: 0.17 | 0: 0.02 | 3.55 3.21 | 96.9| 2.76 | 0: 0.17 | 0: 0.02 | 3.21 2.95 | 98.1| 2.80 | 0: 0.17 | 0: 0.02 | 2.95 2.74 | 99.5| 2.78 | 0: 0.17 | 0: 0.01 | 2.74 2.57 | 98.7| 2.77 | 0: 0.17 | 0: 0.01 | 2.57 2.43 | 99.2| 2.83 | 0: 0.17 | 0: 0.02 | 2.43 2.31 | 99.6| 2.69 | 0: 0.17 | 0: 0.01 | 2.31 2.21 | 100.0| 2.76 | 0: 0.17 | 0: 0.01 | 2.21 2.11 | 100.0| 2.71 | 0: 0.17 | 0: 0.01 | 2.11 2.03 | 100.0| 2.72 | 0: 0.17 | 0: 0.02 | 2.03 1.96 | 100.0| 2.76 | 0: 0.20 | 0: 0.02 | 1.96 1.90 | 100.0| 2.78 | 0: 0.29 | 0: 0.03 | 1.90 1.84 | 100.0| 2.71 | 0: 0.29 | 0: 0.03 | 1.84 1.78 | 100.0| 2.72 | 0: 0.37 | 0: 0.03 | 1.78 1.74 | 100.0| 2.69 | 0: 0.40 | 0: 0.04 | 1.74 1.69 | 100.0| 2.67 | 0: 0.51 | 0: 0.05 | 1.69 1.65 | 100.0| 2.72 | 0: 0.62 | 0: 0.06 | 1.65 1.61 | 100.0| 2.72 | 0: 0.81 | 0: 0.08 | 1.61 1.57 | 100.0| 2.72 | 0: 1.03 | 0: 0.12 | 1.57 1.54 | 100.0| 2.65 | 0: 1.41 | 0: 0.18 | 1.54 1.51 | 100.0| 2.69 | 0: 1.74 | 0: 0.27 | 1.51 1.48 | 100.0| 2.73 | 0: 2.30 | 0: 0.46 | ---------------------------------------------------------- Plan of data collection ======================== Resol. = 1.48 I/Sigma = 2.0 Overal Complet. = 99.3% Redund. = 2.74 Attenuation = 1.0000 Total Exposure time = 27.8 s ( 0.008 hour) Total Data Collection time = 137.8 s ( 0.038 hour) ----------------------------------------------------- N|phi_strt|n.of.img|width| exposure|distans|overlap| ----------------------------------------------------- 1 32.00 110 0.20 0.25 196.0 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 6.32 951631.7 15952.1 59.7 1.8 0.1 0.2 0.2 0.3 0.4 0.6 10.59 6.32 4.82 670466.9 11080.3 60.5 1.9 0.1 0.2 0.2 0.3 0.4 0.6 7.29 4.82 4.05 941407.6 15537.0 60.6 1.9 0.1 0.2 0.2 0.3 0.5 0.8 6.67 4.05 3.55 701453.3 11662.5 60.1 1.9 0.2 0.4 0.5 0.7 1.1 1.9 1.28 3.55 3.21 455430.2 7675.9 59.3 1.9 0.3 0.4 0.5 0.8 1.3 2.2 0.07 3.21 2.95 268683.7 4531.9 59.3 1.9 0.3 0.5 0.6 0.9 1.6 3.0 0.00 2.95 2.74 167404.4 2866.5 58.4 1.9 0.4 0.7 0.9 1.4 2.5 4.7 0.00 2.74 2.57 116167.4 2036.4 57.0 1.9 0.5 0.9 1.2 1.8 3.3 6.4 0.00 2.57 2.43 85883.7 1537.0 55.9 2.0 0.7 1.1 1.6 2.4 4.4 8.5 0.00 2.43 2.31 67457.6 1268.1 53.2 2.0 0.9 1.5 2.1 3.2 6.0 11.6 0.00 2.31 2.21 54067.6 1088.9 49.7 2.2 1.1 2.0 2.8 4.5 8.4 16.4 0.00 2.21 2.11 41726.3 879.2 47.5 2.3 1.3 2.4 3.4 5.3 9.9 19.2 0.00 2.11 2.03 31521.9 714.9 44.1 2.4 1.5 2.8 4.0 6.4 12.0 23.2 0.00 2.03 1.96 22142.7 584.0 37.9 2.8 2.1 3.9 5.6 8.9 16.7 31.5 0.00 1.96 1.90 14992.8 519.7 28.9 3.7 3.2 5.9 8.6 13.6 25.1 45.2 0.00 1.90 1.84 10234.3 427.3 24.0 4.5 4.1 7.6 10.9 17.2 31.2 54.1 0.00 1.84 1.78 7046.0 372.8 18.9 5.7 5.2 9.9 14.2 22.2 39.4 64.9 0.00 1.78 1.74 5076.4 348.9 14.6 7.4 7.0 13.0 18.6 28.7 49.2 75.6 0.00 1.74 1.69 3812.5 337.4 11.3 9.4 8.9 16.6 23.6 35.9 58.9 84.2 0.00 1.69 1.65 2853.4 334.8 8.5 12.6 11.6 21.5 30.2 44.9 69.6 91.4 0.00 1.65 1.61 2215.8 339.2 6.5 16.4 15.0 27.2 37.7 54.2 78.9 95.8 0.00 1.61 1.57 1700.6 344.8 4.9 21.6 19.2 34.3 46.5 64.4 87.1 98.4 0.00 1.57 1.54 1317.7 346.3 3.8 27.9 24.1 41.9 55.5 73.7 92.8 99.4 0.00 1.54 1.51 1010.7 348.3 2.9 36.6 30.2 50.8 65.2 82.5 96.7 99.8 0.00 1.51 1.48 774.8 352.9 2.2 49.2 37.8 60.8 75.1 89.8 98.7 100.0 0.00 All data 98178.4 1851.7 53.0 2.1 9.5 16.6 22.1 30.1 41.8 53.4 0.56 ------------------------------------------------------------------------------------------