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= 0.50 B-factor= 20.94 eigenvalues 20.94 20.94 20.94 Limit of resolution = 1.42±0.02 with max.allowed total time = 600.0 and I/Sigma = 2.0 ------------------------------------------------------------------------ Table (Option: dose is minimal) ===================================== Phi_start = 108.0 Phi_finish = 128.0 Overall Completeness = 99.3% and Redundancy = 2.50 Ratio I/Sigma = 2.0 --------------------------------------------------------- Resolution |Compl.|Redundancy|DataCol_Time |Exposure_Time| [Angst.] | % | | h: min | h: min | ------------|------|----------|-------------|-------------| 12.00 6.37 | 91.5| 2.50 | 0: 0.16 | 0: 0.02 | 6.37 4.86 | 91.7| 2.58 | 0: 0.16 | 0: 0.02 | 4.86 4.08 | 96.3| 2.53 | 0: 0.16 | 0: 0.01 | 4.08 3.58 | 95.9| 2.59 | 0: 0.16 | 0: 0.01 | 3.58 3.23 | 97.5| 2.55 | 0: 0.16 | 0: 0.02 | 3.23 2.97 | 98.5| 2.52 | 0: 0.16 | 0: 0.01 | 2.97 2.76 | 99.1| 2.55 | 0: 0.16 | 0: 0.02 | 2.76 2.59 | 99.1| 2.57 | 0: 0.16 | 0: 0.01 | 2.59 2.45 | 99.6| 2.53 | 0: 0.16 | 0: 0.01 | 2.45 2.33 | 100.0| 2.56 | 0: 0.16 | 0: 0.02 | 2.33 2.22 | 100.0| 2.52 | 0: 0.16 | 0: 0.02 | 2.22 2.13 | 100.0| 2.46 | 0: 0.22 | 0: 0.02 | 2.13 2.05 | 100.0| 2.47 | 0: 0.26 | 0: 0.02 | 2.05 1.98 | 100.0| 2.49 | 0: 0.35 | 0: 0.03 | 1.98 1.91 | 100.0| 2.47 | 0: 0.46 | 0: 0.04 | 1.91 1.85 | 99.4| 2.49 | 0: 0.62 | 0: 0.06 | 1.85 1.80 | 98.8| 2.50 | 0: 0.93 | 0: 0.08 | 1.80 1.75 | 99.4| 2.52 | 0: 1.24 | 0: 0.12 | 1.75 1.71 | 99.7| 2.48 | 0: 1.87 | 0: 0.21 | 1.71 1.66 | 99.5| 2.47 | 0: 2.02 | 0: 0.35 | 1.66 1.62 | 99.7| 2.47 | 0: 3.88 | 0: 0.55 | 1.62 1.59 | 100.0| 2.47 | 0: 4.25 | 0: 0.92 | 1.59 1.55 | 100.0| 2.51 | 0: 4.86 | 0: 1.52 | 1.55 1.52 | 100.0| 2.46 | 0: 6.02 | 0: 2.68 | 1.52 1.49 | 99.7| 2.44 | 0: 7.70 | 0: 4.37 | ---------------------------------------------------------- Plan of data collection ======================== Resol. = 1.49 I/Sigma = 2.0 Overal Complet. = 99.3% Redund. = 2.50 Attenuation = 1.0000 Total Exposure time = 262.3 s ( 0.073 hour) Total Data Collection time = 462.3 s ( 0.128 hour) ----------------------------------------------------- N|phi_strt|n.of.img|width| exposure|distans|overlap| ----------------------------------------------------- 1 108.00 200 0.10 1.31 209.6 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 6.37 1935324.2 33677.8 57.5 1.8 0.1 0.1 0.1 0.2 0.2 0.4 10.07 6.37 4.86 1381147.0 24007.3 57.5 1.8 0.1 0.1 0.1 0.2 0.2 0.4 6.95 4.86 4.08 2041744.0 35680.6 57.2 1.8 0.1 0.1 0.1 0.1 0.2 0.3 7.54 4.08 3.58 1605564.1 28208.7 56.9 1.8 0.1 0.2 0.3 0.4 0.7 1.2 1.77 3.58 3.23 1096709.8 19437.6 56.4 1.8 0.2 0.4 0.5 0.7 1.2 2.2 0.13 3.23 2.97 673333.0 12051.7 55.9 1.8 0.3 0.5 0.7 1.0 1.8 3.4 0.00 2.97 2.76 433834.0 7847.7 55.3 1.8 0.4 0.7 1.0 1.5 2.7 5.2 0.00 2.76 2.59 308171.1 5682.1 54.2 1.9 0.6 1.0 1.4 2.1 3.8 7.5 0.00 2.59 2.45 236631.5 4521.0 52.3 1.9 0.7 1.3 1.8 2.7 5.1 10.0 0.00 2.45 2.33 191788.4 3766.2 50.9 2.0 0.8 1.5 2.1 3.4 6.4 12.5 0.00 2.33 2.22 159266.6 3268.0 48.7 2.1 1.1 1.9 2.7 4.3 8.0 15.6 0.00 2.22 2.13 128735.0 2808.1 45.8 2.2 1.3 2.3 3.4 5.3 10.0 19.5 0.00 2.13 2.05 101647.1 2415.4 42.1 2.4 1.6 3.0 4.3 6.8 12.9 24.7 0.00 2.05 1.98 75228.1 2064.7 36.4 2.7 2.2 4.0 5.8 9.3 17.4 32.7 0.00 1.98 1.91 53428.8 1812.1 29.5 3.4 3.1 5.8 8.3 13.2 24.3 43.7 0.00 1.91 1.85 37567.8 1666.1 22.5 4.4 4.3 8.1 11.7 18.4 33.1 56.7 0.00 1.85 1.80 26749.4 1599.2 16.7 6.0 6.0 11.3 16.2 25.2 43.9 69.9 0.00 1.80 1.75 19857.9 1587.9 12.5 8.1 8.1 15.1 21.6 33.0 54.9 80.7 0.00 1.75 1.71 15399.0 1617.8 9.5 10.4 10.6 19.6 27.6 41.3 65.3 88.7 0.00 1.71 1.66 11866.2 1636.0 7.3 13.8 13.7 25.0 34.7 50.5 75.2 94.2 0.00 1.66 1.62 9576.9 1674.0 5.7 17.5 16.9 30.4 41.7 59.0 82.9 97.2 0.00 1.62 1.59 7653.5 1716.8 4.5 22.4 21.1 37.2 49.9 68.0 89.5 98.9 0.00 1.59 1.55 6099.6 1755.8 3.5 28.8 26.0 44.8 58.7 76.7 94.3 99.6 0.00 1.55 1.52 4874.1 1805.2 2.7 36.8 32.2 53.4 67.8 84.5 97.3 99.9 0.00 1.52 1.49 3934.5 1833.5 2.1 46.2 38.4 61.5 75.8 90.2 98.8 100.0 0.00 All data 235530.3 5088.4 46.3 2.2 10.3 17.8 23.6 31.9 43.6 54.6 0.58 ------------------------------------------------------------------------------------------