SAINT V8.34A saint GWfA_6.slm /BATCH /CONFIG:GWfA_6.ini /NOPROMPT /PLAIN /PRIORITY:4 /SOCKET:& 2000 Global Integration Statistics for all runs ("*" => excluded from output) Spots with topped/rescanned pixels: 17 Total topped/rescanned pixels: 65 Minimum pixel ceiling(frame): 930000(cu_marc002_01_0001.sfrm) Maximum pixel ceiling(frame): 930000(cu_marc002_01_0001.sfrm) Total spots predicted: 30528 Spots with absolute HKL > 511: 0* Spots outside resolution limit: 0* Spots outside active detector area: 9181* Outside frame limits: 613* Spots exceeding frame queue size: 0* Collisions(same XY, adjacent frame): 293* Spots exceeding dynamic range: 0* Spots with too many spot components: 0* Spots with large Lorentz factor: 0* Spots with too much missing I: 0* Spots with too few BG pixels: 0* Spots below I/sigma threshold: 0* Spots left in Write-Behind Cache: 0* Spots with unwanted components: 0* Total unwanted components: 0* Good spots written: 20382 Total spot components written: 20382 Twin overlaps integrated: 0 Partial, strong, full overlaps: 0 0 0 Full overlaps collapsed to singlet: 0 Singlets (used in stats below): 20382 Twin overlaps written: 0 Average Intensity: 60684.32 Average I/sigma: 17.416 % over "strong" threshold: 31.81 % less than 2 sigma: 13.30 % which spanned more than 1 frame: 18.38 Average X,Y,Z positional errors: 0.10 0.08 -0.02 RMS X,Y,Z positional errors: 1.83 0.55 0.19 % X,Y,Z more than 0.5 pixel: 50.80 21.89 0.91 % X,Y,Z more than 1.0 pixel: 32.09 6.52 0.02 Avg % profile volume populated: 96.72 Avg % profile volume integrated: 6.35 Avg % profile missing I: 3.33 Avg % profile missing volume: 3.28 Avg % volume overlap in H,K,L: 0.00 0.00 0.00 Percent of profile used in X,Y,Z: 100.00 100.00 11.11 Max % intensity on XYZ boundaries: 71.86 38.68 0.00 Average spot-shape correlation: 0.535 RMS spot-shape correlation: 0.615 Profile Shape Correlation I/sigma from to Correl +/- # 0.0 1.0 0.239 0.221 1310 1.0 2.0 0.392 0.225 1400 2.0 4.0 0.497 0.264 3220 4.0 8.0 0.582 0.234 5600 8.0 16.0 0.635 0.256 5752 16.0 32.0 0.826 0.217 1951 32.0 64.0 0.960 0.070 778 64.0 128.0 0.975 0.032 313 128.0 256.0 0.979 0.024 58 Write-behind Cache Diagnostics Entered in Write-Behind Cache: 0 Removed from WBC: 0 Partial overlaps from WBC: 0 Exceeding queue size from WBC: 0 With > 12 components from WBC: 0 Global Sums for Filtering Based on Spot Shape Number of spots read: 20382 LS-fit intensities scaled: 11614 Full overlaps included in above: 0 Rejected due to poor spot shape: 66 Unwritable (I, sigma too large): 0 Number written: 20316 Sorting Reflection File ============================== 02/27/2015 11:41:01 Integration of marc002 Merging input files 1 cu_marc002_01.raw 2 cu_marc002_02.raw 3 cu_marc002_03.raw 4 cu_marc002_04.raw 5 cu_marc002_05.raw 6 cu_marc002_06.raw 7 cu_marc002_07.raw 8 cu_marc002_08.raw 9 cu_marc002_09.raw 10 cu_marc002_10.raw 11 cu_marc002_11.raw 12 cu_marc002_12.raw 13 cu_marc002_13.raw 14 cu_marc002_14.raw 15 cu_marc002_15.raw 16 cu_marc002_16.raw 17 cu_marc002_17.raw 18 cu_marc002_18.raw 19 cu_marc002_19.raw 20 cu_marc002_20.raw 21 cu_marc002_21.raw 22 cu_marc002_22.raw 23 cu_marc002_23.raw 24 cu_marc002_24.raw 25 cu_marc002_25.raw 26 cu_marc002_26.raw 27 cu_marc002_27.raw 28 cu_marc002_28.raw Merging to output file: cu_marc002_0m.raw 727 spot components in 727 spots read from file 1--/home/isengard/data/marc002/work/cu_marc002_01.raw 730 spot components in 730 spots read from file 2--/home/isengard/data/marc002/work/cu_marc002_02.raw 760 spot components in 760 spots read from file 3--/home/isengard/data/marc002/work/cu_marc002_03.raw 748 spot components in 748 spots read from file 4--/home/isengard/data/marc002/work/cu_marc002_04.raw 748 spot components in 748 spots read from file 5--/home/isengard/data/marc002/work/cu_marc002_05.raw 239 spot components in 239 spots read from file 6--/home/isengard/data/marc002/work/cu_marc002_06.raw 743 spot components in 743 spots read from file 7--/home/isengard/data/marc002/work/cu_marc002_07.raw 755 spot components in 755 spots read from file 8--/home/isengard/data/marc002/work/cu_marc002_08.raw 849 spot components in 849 spots read from file 9--/home/isengard/data/marc002/work/cu_marc002_09.raw 636 spot components in 636 spots read from file 10--/home/isengard/data/marc002/work/cu_marc002_10.raw 764 spot components in 764 spots read from file 11--/home/isengard/data/marc002/work/cu_marc002_11.raw 726 spot components in 726 spots read from file 12--/home/isengard/data/marc002/work/cu_marc002_12.raw 752 spot components in 752 spots read from file 13--/home/isengard/data/marc002/work/cu_marc002_13.raw 727 spot components in 727 spots read from file 14--/home/isengard/data/marc002/work/cu_marc002_14.raw 772 spot components in 772 spots read from file 15--/home/isengard/data/marc002/work/cu_marc002_15.raw 756 spot components in 756 spots read from file 16--/home/isengard/data/marc002/work/cu_marc002_16.raw 751 spot components in 751 spots read from file 17--/home/isengard/data/marc002/work/cu_marc002_17.raw 759 spot components in 759 spots read from file 18--/home/isengard/data/marc002/work/cu_marc002_18.raw 752 spot components in 752 spots read from file 19--/home/isengard/data/marc002/work/cu_marc002_19.raw 584 spot components in 584 spots read from file 20--/home/isengard/data/marc002/work/cu_marc002_20.raw 736 spot components in 736 spots read from file 21--/home/isengard/data/marc002/work/cu_marc002_21.raw 722 spot components in 722 spots read from file 22--/home/isengard/data/marc002/work/cu_marc002_22.raw 817 spot components in 817 spots read from file 23--/home/isengard/data/marc002/work/cu_marc002_23.raw 756 spot components in 756 spots read from file 24--/home/isengard/data/marc002/work/cu_marc002_24.raw 750 spot components in 750 spots read from file 25--/home/isengard/data/marc002/work/cu_marc002_25.raw 753 spot components in 753 spots read from file 26--/home/isengard/data/marc002/work/cu_marc002_26.raw 758 spot components in 758 spots read from file 27--/home/isengard/data/marc002/work/cu_marc002_27.raw 746 spot components in 746 spots read from file 28--/home/isengard/data/marc002/work/cu_marc002_28.raw 20316 spot components in 20316 spots written to file /home/isengard/data/marc002/work/cu_marc002_0m.raw Computing Reflection File Statistics ========== 02/27/2015 11:41:02 Integration of marc002 ................................................................................... Statistics for reflections in cu_marc002_0m.raw File is in BrukerAXS area detector ASCII format Number of lines read (incl comments) = 20316 Number of reflection records read = 20316 Number of records with bad component number = 0 Number of records with bad status value = 0 Number of spots used = 20316 Number of spot components used = 20316 ................................................................................... Integration of marc002 Statistics for sample 1 of 1 in cu_marc002_0m.raw Lattice: P (Primitive) Point group "2/m(B-unique)", #3 (internal number) 4 symmetry operators 1 0 0 -1 0 0 -1 0 0 1 0 0 0 1 0 0 1 0 0-1 0 0-1 0 0 0 1 0 0-1 0 0-1 0 0 1 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Cell constants are constrained so that consistent sin(theta) is computed for symmetry equivalents. Components in the sample map (* marks current component) Component Wanted A B C Alpha Beta Gamma PointGp Constraints 1.1(1)* Y 6.834 7.365 18.336 90.000 100.498 90.000 2/mB Monoclinic B-uniq Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Det X # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 468 217 234 464 18.6 78447.703 34.49 4.23 0.144 0.013 4.3 0.119 0.181 1.07 2.9 .08-.07 5.4 1.4 .19 32.000 865 344 364 865 23.4 76093.703 35.06 4.23 0.138 -0.027 2.5 0.130 0.114 0.70 .51 .07-.02 3.4 .90 .16 64.000 899 347 367 898 18.8 92164.948 37.30 4.25 0.128 0.016 2.5 0.121 0.126 0.80 .19-.00-.02 2.4 .66 .16 96.000 986 367 392 986 13.6 67100.625 27.24 4.26 0.158 0.005 2.9 0.133 0.156 0.83 .07 .05-.01 2.3 .63 .16 128.000 1128 411 437 1128 18.7 73333.564 27.32 4.26 0.190 -0.030 14.6 0.167 0.138 0.79 .02 .02-.00 2.1 .62 .18 160.000 1243 407 429 1243 18.8 73775.388 24.99 4.27 0.139 0.015 2.2 0.122 0.127 0.80 .09 .07-.01 2.0 .56 .18 192.000 1351 430 445 1350 15.2 62694.762 20.17 4.27 0.154 0.002 2.1 0.140 0.128 0.76 .15 .06-.02 1.8 .51 .18 224.000 1695 447 464 1694 10.2 46402.121 14.78 4.26 0.160 0.002 1.9 0.152 0.107 0.54 .03 .11-.01 1.5 .52 .19 256.000 1574 438 448 1573 15.2 44067.420 13.43 4.25 0.169 0.004 1.9 0.162 0.149 0.65 .04 .09-.01 1.6 .53 .20 288.000 1596 429 439 1593 11.4 50632.006 13.85 4.25 0.163 -0.007 1.9 0.151 0.133 0.71-.08 .07-.01 1.2 .44 .19 320.000 1615 415 428 1612 10.6 49954.386 13.01 4.24 0.176 -0.006 1.9 0.156 0.185 0.90-.01 .08-.02 1.2 .42 .19 352.000 1625 349 354 1625 13.4 52304.909 12.96 4.22 0.171 -0.002 1.8 0.158 0.174 0.77 .01 .11-.02 1.1 .46 .18 384.000 1599 381 394 1599 6.9 63157.916 14.10 4.22 0.168 0.009 2.0 0.154 0.147 0.77-.00 .10-.02 .89 .41 .19 416.000 1356 276 281 1356 10.8 52410.766 12.18 4.20 0.165 -0.003 1.7 0.152 0.156 0.85 .06 .08-.01 .97 .40 .17 448.000 1342 291 300 1342 10.3 61856.313 13.26 4.19 0.166 0.004 1.9 0.158 0.144 0.74 .01 .08-.03 1.0 .39 .19 480.000 974 189 198 972 8.9 75470.579 13.57 4.19 0.246 0.007 3.0 0.229 0.154 0.79-.54 .09-.03 1.3 .39 .22 512.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Det Y # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 711 550 559 711 16.0 50294.269 15.45 4.19 0.183 -0.053 2.4 0.178 0.148 0.72 .29 .36-.02 2.1 .00 .16 32.000 970 712 726 970 13.2 57985.735 16.56 4.20 0.166 0.012 2.1 0.158 0.151 0.78 .14 .17-.03 2.1 .82 .16 64.000 1119 772 783 1117 13.9 54179.604 15.40 4.21 0.160 0.015 2.0 0.147 0.152 0.81 .08 .10-.02 1.7 .65 .17 96.000 1222 855 870 1222 13.3 54447.602 15.35 4.23 0.171 0.013 2.0 0.159 0.143 0.74 .03 .11-.02 1.8 .56 .19 128.000 1339 908 927 1338 12.6 57985.726 16.19 4.24 0.162 0.020 1.9 0.149 0.127 0.69 .05 .09-.01 1.7 .48 .18 160.000 1455 963 991 1455 14.6 60828.620 16.93 4.25 0.154 0.028 1.9 0.144 0.129 0.71 .07 .09-.01 2.0 .45 .20 192.000 1518 994 1025 1516 13.7 55263.052 16.06 4.26 0.164 0.008 2.0 0.147 0.138 0.69 .07 .08-.02 1.8 .38 .20 224.000 1587 1055 1082 1586 13.5 67157.535 18.61 4.26 0.175 -0.004 2.9 0.155 0.159 0.79 .10 .07-.01 1.8 .35 .20 256.000 1557 1022 1046 1555 14.0 60676.735 17.16 4.27 0.169 -0.004 8.5 0.147 0.141 0.72 .06 .09-.02 1.8 .37 .19 288.000 1561 999 1029 1559 12.0 60410.800 16.72 4.26 0.162 0.012 2.0 0.149 0.136 0.69 .06 .08-.02 1.7 .37 .19 320.000 1508 985 1018 1507 13.2 66030.883 18.14 4.26 0.155 -0.003 2.1 0.141 0.132 0.68 .08 .07-.01 1.9 .43 .20 352.000 1435 976 1003 1434 13.2 63458.036 17.65 4.24 0.161 0.004 2.1 0.144 0.125 0.64 .16 .04-.03 1.7 .46 .18 384.000 1329 918 940 1327 12.6 61044.336 17.21 4.23 0.158 -0.007 2.1 0.150 0.140 0.68 .11 .03-.01 1.8 .54 .18 416.000 1204 848 878 1202 14.0 63843.552 18.21 4.23 0.166 -0.023 5.3 0.148 0.162 0.80 .12 .03-.01 1.8 .64 .18 448.000 1080 765 796 1080 10.9 68710.385 19.07 4.21 0.160 -0.026 2.4 0.154 0.153 0.71 .08 .02-.01 1.8 .72 .17 480.000 721 560 576 721 13.7 64284.679 17.41 4.19 0.203 -0.030 2.7 0.183 0.140 0.67 .15-.14-.02 2.0 .89 .15 512.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Det R # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 357 221 225 357 14.6 45655.153 14.24 4.29 0.161 -0.001 1.8 0.153 0.107 0.46-.02 .11-.01 1.7 .39 .21 30.000 949 506 519 948 12.9 45479.977 14.08 4.28 0.161 -0.013 1.9 0.152 0.156 0.75 .12 .09-.02 1.6 .40 .21 60.000 1644 747 769 1644 14.4 58562.590 17.19 4.28 0.157 0.019 1.9 0.140 0.142 0.78 .05 .08-.02 1.7 .38 .20 90.000 2091 945 974 2090 13.5 55505.171 16.41 4.27 0.159 0.004 6.6 0.142 0.134 0.69 .04 .07-.01 1.7 .39 .20 120.000 2420 1079 1113 2418 13.6 61571.841 17.53 4.26 0.156 0.012 2.0 0.141 0.142 0.72 .00 .07-.02 1.6 .42 .19 150.000 2838 1210 1254 2836 12.2 58524.721 16.63 4.24 0.164 -0.001 2.2 0.149 0.140 0.73 .00 .07-.01 1.6 .46 .18 180.000 3041 1333 1380 3038 12.5 60126.330 16.96 4.23 0.155 0.004 3.2 0.144 0.139 0.72 .09 .06-.01 1.6 .49 .18 210.000 3156 1345 1395 3150 13.7 68516.955 18.95 4.22 0.162 0.001 2.4 0.145 0.147 0.77 .06 .08-.02 1.9 .56 .18 240.000 2194 1097 1132 2193 13.2 62666.949 16.40 4.20 0.193 -0.025 2.6 0.177 0.156 0.74 .19 .10-.02 2.1 .68 .18 270.000 1626 723 757 1626 14.8 67821.909 17.51 4.18 0.180 -0.009 2.5 0.177 0.158 0.79 .47 .06-.03 2.8 1.0 .17 300.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Quadrnt # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 4429 1203 1270 4424 16.1 72257.925 25.92 4.26 0.151 -0.012 5.5 0.135 0.139 0.75 .25-.00-.01 2.4 .66 .18 2.000 5966 1282 1309 5961 10.6 56643.222 13.55 4.23 0.177 -0.002 2.0 0.163 0.147 0.76-.02 .07-.02 1.2 .43 .19 3.000 4206 1159 1209 4204 16.7 64026.871 23.49 4.26 0.152 0.013 2.4 0.138 0.126 0.74 .31 .12-.02 2.5 .70 .18 4.000 5715 1195 1226 5711 11.5 53628.551 13.04 4.22 0.178 0.004 1.9 0.166 0.158 0.82-.07 .10-.02 1.2 .44 .19 5.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Region # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 3182 1037 1071 3181 14.1 53378.504 16.03 4.28 0.156 0.010 1.8 0.143 0.140 0.73 .06 .09-.01 1.7 .39 .20 2.000 2315 753 766 2313 9.5 65319.262 13.86 4.22 0.184 0.010 2.1 0.166 0.149 0.76-.05 .10-.02 1.0 .35 .21 3.000 3022 972 991 3020 9.7 57607.340 13.28 4.21 0.175 -0.004 2.0 0.166 0.146 0.71-.03 .06-.02 1.1 .42 .19 4.000 1923 841 864 1919 12.9 55920.686 16.64 4.24 0.168 -0.015 2.2 0.150 0.136 0.70-.02 .06-.01 1.5 .59 .18 5.000 2032 754 799 2032 17.7 82810.335 31.14 4.25 0.150 -0.020 4.4 0.134 0.144 0.79 .42-.08-.02 2.7 .80 .16 6.000 1423 539 574 1419 19.0 71217.108 31.12 4.27 0.160 -0.010 10.3 0.138 0.139 0.87 .43 .05-.02 3.0 .45 .18 7.000 1854 710 734 1853 18.3 69399.138 27.04 4.24 0.143 0.027 2.2 0.133 0.119 0.72 .38 .16-.01 2.9 .89 .17 8.000 1783 726 746 1782 12.7 44353.039 13.74 4.23 0.172 0.000 2.0 0.168 0.137 0.70 .04 .12-.02 1.5 .61 .18 9.000 2782 838 854 2781 11.0 55247.533 12.81 4.21 0.178 -0.001 2.0 0.163 0.165 0.82-.09 .12-.02 1.0 .45 .18 10.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Frame# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.020 1608 1020 1021 1607 11.5 63082.687 17.32 4.24 0.139 0.009 1.8 0.128 0.129 0.72 .11 .04-.04 1.8 .50 .18 7.102 1747 995 998 1747 12.9 61315.893 16.49 4.24 0.177 0.019 2.1 0.167 0.140 0.75 .07 .04-.03 1.9 .49 .18 14.225 1755 922 925 1755 12.2 65506.100 17.36 4.24 0.162 0.027 2.1 0.144 0.138 0.79 .09 .03-.03 1.7 .45 .18 21.347 1759 1011 1023 1757 11.3 64460.494 17.20 4.24 0.195 0.033 7.9 0.168 0.141 0.70 .07 .02-.04 1.8 .46 .19 28.470 1767 1059 1078 1765 12.3 65574.630 17.62 4.24 0.184 0.044 2.5 0.166 0.157 0.77 .14-.03-.03 1.8 .48 .19 35.592 1683 982 1012 1681 13.5 58449.558 16.01 4.24 0.193 0.027 2.3 0.175 0.141 0.72 .07 .00-.03 1.9 .51 .19 42.715 1741 874 913 1741 14.7 54532.324 15.69 4.24 0.159 -0.007 1.9 0.149 0.125 0.69 .08-.02-.02 1.9 .56 .18 49.837 1707 798 851 1704 15.2 52996.116 15.74 4.23 0.155 -0.033 2.3 0.146 0.138 0.81 .08-.01 .00 1.8 .49 .19 56.960 1826 867 930 1823 16.2 49169.746 15.16 4.23 0.147 -0.049 1.7 0.137 0.142 0.77 .13 .09-.00 1.9 .54 .19 64.082 1729 969 1027 1729 16.1 46069.350 14.14 4.23 0.165 -0.074 4.4 0.143 0.173 0.94 .17 .24 .00 2.1 .67 .19 71.205 1698 987 1002 1697 12.6 55442.355 16.04 4.23 0.155 -0.020 1.9 0.152 0.127 0.75 .08 .38-.00 1.7 .72 .18 78.327 720 576 582 720 14.9 57851.837 16.93 4.24 0.161 -0.010 2.1 0.153 0.158 0.82 .05 .42 .02 1.8 .77 .18 85.450 77 66 71 77 7.8 122330.76 36.89 4.28 0.124 -0.058 3.1 0.099 0.118 0.72 .19-.10 .02 .58 .50 .17 92.572 72 60 65 70 1.4 165850.92 44.50 4.31 0.105 -0.042 3.9 0.106 0.151 0.73 .15-.58 .01 .41 .74 .19 99.695 71 60 63 71 4.2 176255.58 45.39 4.30 0.134 -0.005 4.4 0.089 0.198 1.01 .00-.88 .02 .43 1.1 .15 106.817 67 64 66 67 9.0 146648.92 36.30 4.28 0.084 0.016 2.4 0.083 0.146 0.78-.11-.59 .05 .43 .81 .16 113.940 79 77 79 79 5.1 158354.82 42.12 4.29 0.132 0.053 3.4 0.126 0.145 0.44-.04-.23 .02 .49 .59 .15 121.062 71 71 71 71 4.2 190400.66 42.08 4.27 0.136 0.017 4.4 0.131 0.111 0.40 .12 .15 .08 .47 .47 .16 128.185 76 76 76 76 2.6 122230.70 33.80 4.27 0.223 -0.072 6.1 0.219 0.125 0.40 .14 .47 .05 .36 .59 .16 135.307 63 61 61 63 7.9 205494.72 42.14 4.26 0.166 -0.037 6.1 0.156 0.091 0.34 .12 .27 .01 .53 .63 .23 142.430 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Rot.Ang # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 824 589 597 824 13.3 44512.732 13.37 4.23 0.198 0.010 2.1 0.189 0.139 0.68 .10-.00-.04 1.9 .52 .20 10.000 842 589 601 842 13.8 38481.342 11.83 4.23 0.208 -0.016 2.1 0.195 0.149 0.60 .15-.07-.05 2.0 .58 .21 20.000 812 548 562 811 16.3 36117.083 11.13 4.23 0.227 -0.017 2.0 0.217 0.159 0.69 .02 .01-.03 1.9 .47 .21 30.000 825 518 541 825 18.4 32789.580 10.51 4.22 0.212 -0.043 1.8 0.185 0.177 0.82 .17 .01-.03 2.2 .62 .20 40.000 825 500 534 825 17.6 27020.276 9.06 4.22 0.198 -0.053 1.6 0.180 0.159 0.64 .09-.03-.02 2.1 .58 .20 50.000 787 475 510 787 16.5 30133.968 9.89 4.22 0.203 -0.074 1.7 0.176 0.167 0.69 .13-.02-.01 2.0 .51 .20 60.000 814 499 538 814 18.8 28360.077 9.71 4.22 0.188 -0.071 1.7 0.182 0.151 0.65 .07 .03-.01 1.9 .49 .19 70.000 814 535 565 814 18.2 27268.662 9.40 4.22 0.182 -0.032 1.5 0.178 0.174 0.70 .19 .07-.00 2.1 .58 .19 80.000 804 563 600 804 19.4 33366.416 11.33 4.22 0.155 -0.034 1.6 0.165 0.154 0.72 .14 .21 .00 2.2 .63 .20 90.000 831 589 619 831 16.7 28156.041 9.43 4.22 0.165 -0.046 1.5 0.184 0.173 0.73 .16 .29-.00 2.2 .69 .19 100.000 846 605 619 845 16.9 33437.616 10.89 4.22 0.161 -0.028 1.6 0.178 0.147 0.68 .12 .41-.01 2.2 .75 .20 110.000 922 696 697 922 12.3 50997.276 14.63 4.23 0.140 -0.013 1.6 0.153 0.132 0.72 .13 .37-.01 1.6 .70 .17 120.000 809 630 630 809 12.6 57723.514 16.38 4.23 0.164 0.026 2.1 0.169 0.136 0.72-.01 .43 .01 1.8 .78 .18 130.000 183 174 175 183 1.1 194060.30 33.60 4.29 0.170 0.100 4.1 0.165 0.114 0.66-.01-.01 .02 .28 .24 .14 140.000 201 185 186 201 6.5 143632.51 28.86 4.27 0.142 0.074 3.0 0.136 0.116 0.74 .05-.07 .03 .47 .36 .16 150.000 166 159 159 166 1.8 179351.64 31.29 4.29 0.127 0.068 3.0 0.104 0.133 0.87 .03-.02 .01 .27 .32 .11 160.000 190 180 184 189 2.6 181753.03 31.54 4.29 0.140 0.041 3.4 0.127 0.126 0.74 .02 .00 .01 .33 .33 .13 170.000 205 194 196 205 0.0 198017.98 35.82 4.31 0.148 0.078 4.1 0.118 0.132 0.73 .03-.01 .02 .27 .32 .15 180.000 189 172 177 189 4.2 216525.44 37.05 4.32 0.156 0.081 4.4 0.112 0.160 0.94 .05 .03 .02 .39 .31 .11 190.000 200 183 192 199 3.5 191813.13 34.79 4.30 0.187 0.046 4.9 0.149 0.160 0.92-.01 .05 .00 .28 .32 .12 200.000 190 181 186 189 2.1 199055.39 36.42 4.32 0.155 -0.001 4.2 0.129 0.145 0.88 .03 .04 .01 .33 .32 .11 210.000 201 188 194 201 3.5 173808.47 32.13 4.29 0.148 -0.004 3.6 0.123 0.115 0.67-.03 .06 .01 .45 .39 .11 220.000 188 168 171 188 3.2 179933.48 34.64 4.30 0.117 -0.030 3.1 0.108 0.106 0.65-.01-.01 .01 .31 .36 .12 230.000 217 195 199 216 3.2 173029.72 34.87 4.29 0.155 -0.109 48.7 0.135 0.140 0.77-.01-.10 .01 .27 .40 .11 240.000 191 172 181 187 1.6 183772.82 35.78 4.31 0.099 -0.052 4.4 0.107 0.138 0.93-.04-.14 .01 .31 .45 .13 250.000 201 173 181 198 2.0 157564.86 32.41 4.29 0.107 -0.061 3.0 0.097 0.153 0.86-.05-.21 .01 .25 .59 .11 260.000 189 157 170 189 4.8 159068.79 33.15 4.31 0.144 -0.093 3.7 0.105 0.153 0.94-.02-.14 .00 .33 .53 .11 270.000 251 224 230 251 4.8 123686.64 26.63 4.29 0.103 -0.037 2.3 0.088 0.173 1.11-.02-.13 .01 .58 .45 .12 280.000 424 375 390 424 12.0 71711.585 18.59 4.25 0.141 -0.024 2.0 0.116 0.144 0.81 .10-.02-.02 1.3 .49 .16 290.000 974 725 728 973 12.5 56245.998 15.62 4.24 0.159 0.014 2.3 0.148 0.133 0.67 .16 .04-.04 1.8 .51 .18 300.000 972 710 711 972 11.0 60378.336 16.41 4.24 0.174 0.037 2.1 0.157 0.136 0.69 .00 .03-.03 2.0 .51 .18 310.000 851 569 569 851 15.5 39248.560 12.08 4.23 0.172 -0.002 1.8 0.152 0.140 0.57 .15 .07-.03 2.1 .52 .19 320.000 842 532 533 842 15.2 44715.889 13.45 4.23 0.178 0.022 1.9 0.162 0.132 0.63 .08 .06-.03 1.9 .52 .19 330.000 838 551 554 838 12.8 40535.188 12.22 4.23 0.234 -0.009 2.9 0.204 0.141 0.58 .12 .06-.04 1.9 .51 .21 340.000 833 585 591 833 13.8 44781.363 13.20 4.23 0.208 0.039 6.6 0.183 0.134 0.68 .09 .03-.04 2.0 .48 .21 350.000 865 606 615 863 13.6 43920.310 13.09 4.23 0.202 0.021 2.1 0.191 0.124 0.57 .19 .01-.04 2.0 .52 .21 360.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Hours # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1038 590 595 1037 1.7 189348.94 30.92 4.30 0.157 0.113 3.7 0.143 0.134 0.77 .00 .15 .00 .28 .29 .09 0.068 1147 856 900 1141 7.8 78627.647 18.40 4.25 0.158 0.123 2.3 0.145 0.115 0.74-.01-.01-.02 1.5 .47 .16 0.136 1136 827 856 1136 15.9 26835.380 8.44 4.24 0.201 0.075 1.5 0.189 0.131 0.55 .02 .00-.02 2.1 .57 .19 0.204 631 409 413 631 15.7 221026.96 56.52 4.38 0.134 -0.030 28.1 0.118 0.136 0.77-.18 .28 .01 1.7 .75 .16 0.272 964 753 787 964 12.2 37514.735 10.11 4.22 0.190 0.005 1.5 0.181 0.156 0.61 .11 .04-.00 1.8 .48 .25 0.340 933 788 802 932 11.9 40065.723 12.86 4.23 0.184 -0.054 1.8 0.174 0.168 0.69 .14 .02-.02 1.6 .55 .19 0.408 840 699 711 840 11.5 37037.250 12.57 4.21 0.225 -0.103 2.3 0.216 0.180 0.61 .11-.12 .02 1.7 .69 .19 0.476 1095 810 848 1094 12.1 33444.784 10.26 4.22 0.173 -0.013 1.5 0.162 0.143 0.64 .12 .31-.04 1.9 .64 .19 0.544 1140 789 818 1140 10.2 89231.650 21.13 4.26 0.128 0.051 2.0 0.087 0.141 0.93 .10-.09-.02 1.7 .48 .14 0.612 960 689 705 958 6.8 119952.74 24.54 4.24 0.180 -0.166 3.3 0.167 0.160 0.71 .07 .13 .01 1.2 .43 .15 0.680 1157 812 847 1157 18.2 25988.080 8.87 4.22 0.246 -0.096 2.2 0.223 0.164 0.70 .19 .14-.06 2.2 .54 .20 0.748 1142 691 729 1142 19.4 20618.270 7.20 4.23 0.273 -0.114 1.9 0.251 0.175 0.57 .15 .17-.04 2.1 .57 .19 0.816 1148 897 949 1146 15.6 27656.844 8.87 4.22 0.194 0.052 1.5 0.187 0.129 0.56 .07 .18-.04 2.2 .54 .20 0.884 718 577 608 718 8.2 148661.08 38.21 4.28 0.135 -0.029 3.6 0.120 0.144 0.98 .10 .20 .00 1.5 .57 .17 0.952 849 546 556 847 16.1 103304.28 29.09 4.27 0.123 0.005 2.6 0.115 0.131 0.52 .18-.07-.01 2.0 .62 .17 1.020 927 550 563 927 12.3 31321.763 9.44 4.22 0.205 0.104 1.7 0.194 0.143 0.62 .09 .07-.03 1.7 .43 .19 1.088 1213 927 939 1212 11.5 33181.926 9.39 4.21 0.173 -0.077 1.4 0.169 0.162 0.68 .17-.02 .00 1.9 .54 .26 1.156 1127 689 694 1127 19.3 21719.923 7.56 4.22 0.216 -0.088 1.6 0.228 0.164 0.55 .08 .03-.02 2.0 .50 .19 1.224 1163 676 679 1163 19.3 20833.964 7.20 4.21 0.187 -0.066 1.2 0.182 0.147 0.51 .17 .02-.03 2.3 .55 .17 1.292 988 617 623 988 18.2 21362.147 7.39 4.22 0.237 -0.073 1.7 0.233 0.158 0.52 .13 .16-.00 2.1 .81 .19 1.360 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Batch# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 727 550 555 726 1.9 198020.15 31.56 4.30 0.183 0.134 4.4 0.177 0.137 0.76 .01 .22 .00 .27 .31 .09 2.000 730 494 520 724 2.1 160305.01 28.63 4.29 0.091 0.059 2.0 0.071 0.130 0.95-.06-.11 .01 .30 .25 .08 3.000 760 576 594 760 10.9 35996.191 9.96 4.24 0.307 0.278 2.4 0.291 0.112 0.59 .05 .11-.03 1.8 .55 .19 4.000 748 586 615 748 15.6 26812.204 8.46 4.23 0.186 0.050 1.4 0.169 0.132 0.59-.03 .04-.03 2.2 .61 .18 5.000 748 404 407 748 20.6 21027.263 7.22 4.23 0.240 -0.004 1.7 0.234 0.138 0.42-.11 .18 .00 2.0 .74 .19 6.000 239 75 76 239 2.1 554639.23 94.98 4.64 0.127 -0.025 71.2 0.109 0.132 0.90-.00-.00 .01 .21 .31 .09 7.000 743 532 566 743 12.4 41622.373 10.70 4.22 0.187 0.024 1.6 0.184 0.147 0.62 .13 .01 .01 1.8 .51 .26 8.000 755 593 607 754 15.0 22563.167 7.55 4.23 0.225 0.022 1.5 0.213 0.146 0.52 .13 .09-.03 2.0 .54 .18 9.000 849 750 762 849 7.2 54910.845 17.66 4.22 0.198 -0.107 2.7 0.180 0.192 0.74 .12-.10 .01 .55 .67 .20 10.000 636 490 490 636 12.9 30529.873 9.37 4.20 0.157 -0.059 1.3 0.158 0.155 0.68-.01 .10 .01 2.2 .54 .18 11.000 764 599 637 763 14.0 25627.904 8.50 4.22 0.202 0.039 1.5 0.195 0.131 0.57 .22 .33-.07 2.0 .69 .20 12.000 726 398 418 726 3.6 136951.41 26.59 4.28 0.123 0.040 2.6 0.081 0.141 1.08-.03-.14 .01 .28 .26 .08 13.000 752 511 520 752 19.3 19702.052 6.95 4.22 0.201 -0.043 1.3 0.189 0.154 0.46 .28 .12-.05 2.5 .69 .18 14.000 727 445 461 725 2.1 155061.21 27.52 4.25 0.181 -0.171 4.1 0.164 0.159 0.73-.02 .05 .03 .24 .19 .14 15.000 772 615 639 772 19.2 23576.168 8.42 4.22 0.251 -0.041 2.3 0.245 0.154 0.59 .13 .21-.05 2.0 .51 .20 16.000 756 534 585 756 19.3 21972.665 7.52 4.21 0.235 -0.126 1.7 0.221 0.147 0.58 .28 .10-.06 2.6 .63 .20 17.000 751 600 621 751 18.1 21852.049 7.48 4.23 0.287 -0.128 2.1 0.254 0.167 0.56 .10 .16-.05 1.8 .52 .20 18.000 759 556 607 758 16.7 25482.457 8.42 4.22 0.168 -0.026 1.3 0.170 0.129 0.56 .09 .17-.02 2.3 .51 .19 19.000 752 602 623 751 14.1 27226.084 8.79 4.22 0.203 0.085 1.5 0.191 0.135 0.58 .10 .32-.03 2.1 .66 .20 20.000 584 400 415 582 1.2 298947.94 57.85 4.37 0.121 -0.010 5.8 0.109 0.144 0.81 .01-.07 .01 .21 .36 .14 21.000 736 389 394 736 21.2 18793.064 6.74 4.23 0.249 -0.061 1.6 0.235 0.150 0.42 .22-.02-.00 2.2 .66 .18 22.000 722 510 523 722 11.9 31342.332 9.52 4.22 0.219 0.148 1.7 0.198 0.136 0.61 .08 .05-.04 1.7 .42 .20 23.000 817 646 646 817 11.4 39805.713 10.34 4.20 0.145 -0.084 1.3 0.155 0.169 0.74 .17-.07 .03 1.7 .53 .29 24.000 756 604 621 755 14.6 23611.045 7.75 4.22 0.204 -0.021 1.3 0.186 0.154 0.54 .15 .06-.03 2.1 .55 .18 25.000 750 602 602 750 19.3 21147.394 7.44 4.21 0.243 -0.144 1.8 0.251 0.175 0.55 .05 .05-.04 2.0 .48 .19 26.000 753 509 511 753 20.5 20489.832 7.07 4.22 0.177 -0.014 1.1 0.183 0.149 0.47 .18 .04-.02 2.4 .58 .17 27.000 758 610 611 758 14.6 24488.201 8.09 4.21 0.174 -0.088 1.4 0.175 0.165 0.58 .20-.06-.03 2.0 .46 .17 28.000 746 425 431 746 20.8 19046.560 6.84 4.23 0.283 -0.074 1.9 0.266 0.155 0.44 .09 .24-.01 2.1 .91 .20 29.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Correl # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1805 801 837 1804 50.6 9256.646 4.69 4.22 0.758 -0.669 10.9 0.675 0.353 0.66 .28 .11-.01 3.1 .82 .22 0.100 1222 729 750 1222 30.7 16252.070 6.57 4.22 0.298 -0.179 1.9 0.282 0.171 0.52 .17 .12-.04 2.5 .73 .22 0.200 1601 866 898 1600 25.6 20494.885 7.48 4.22 0.242 -0.101 1.9 0.230 0.170 0.59 .17 .12-.03 2.4 .68 .22 0.300 1891 957 987 1891 17.5 24218.757 8.13 4.22 0.207 -0.056 1.4 0.198 0.153 0.56 .15 .10-.02 2.1 .61 .21 0.400 2107 1016 1050 2105 15.0 27735.254 8.77 4.22 0.179 0.001 1.3 0.178 0.153 0.60 .11 .13-.02 1.9 .60 .20 0.500 2359 1067 1097 2359 8.4 32225.066 9.35 4.22 0.178 0.015 1.4 0.171 0.150 0.62 .05 .09-.03 1.7 .52 .20 0.600 2888 1173 1222 2885 4.2 35527.832 9.97 4.22 0.179 0.047 1.5 0.171 0.145 0.64 .05 .08-.02 1.5 .48 .18 0.700 1998 1071 1101 1997 1.4 42638.794 11.34 4.22 0.200 0.041 1.8 0.189 0.142 0.64 .07 .05-.02 1.3 .44 .17 0.800 1543 961 993 1541 1.0 69279.682 16.83 4.24 0.178 -0.008 2.4 0.162 0.153 0.73 .05 .02-.02 1.1 .45 .15 0.900 2902 802 834 2896 0.0 237566.30 41.31 4.34 0.129 0.017 4.3 0.113 0.138 0.81-.02-.01 .01 .37 .26 .09 1.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Missing # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 19112 1906 2006 19100 12.9 61848.058 17.53 4.24 0.158 0.001 2.8 0.144 0.138 0.77 .03 .07-.01 1.6 .49 .18 0.050 187 141 146 187 14.4 52009.374 13.75 4.20 0.200 -0.051 2.3 0.185 0.134 0.51 .03 .00-.05 2.3 .61 .21 0.100 158 99 101 158 18.4 44802.038 10.87 4.19 0.213 0.045 2.0 0.209 0.185 0.65 .61 .12-.06 3.3 1.0 .21 0.150 101 86 87 100 21.8 40316.160 11.87 4.19 0.267 0.040 2.4 0.266 0.110 0.40 .31 .13-.03 2.9 .91 .18 0.200 116 98 101 114 19.8 39740.610 11.58 4.20 0.374 -0.079 3.4 0.321 0.199 0.62 1.6 .21-.07 4.0 1.1 .22 0.250 116 94 96 116 15.5 59015.903 15.60 4.20 0.234 -0.041 2.9 0.240 0.157 0.58 1.6 .19-.06 4.2 1.1 .18 0.300 112 93 94 112 14.3 53618.442 12.10 4.19 0.277 -0.035 3.0 0.262 0.129 0.44 .84 .19-.05 3.5 .78 .18 0.350 102 69 75 102 26.5 43879.055 9.77 4.19 0.437 0.015 3.4 0.422 0.175 0.49 1.1 .18-.08 3.9 1.1 .22 0.400 86 63 68 86 26.7 24708.056 7.02 4.19 0.593 -0.005 3.1 0.562 0.197 0.43 2.4 .14-.09 5.0 1.2 .23 0.450 79 60 65 78 34.2 30265.710 7.31 4.18 0.582 -0.104 4.1 0.570 0.185 0.48 2.4 .15-.11 6.2 2.1 .24 0.500 69 58 58 69 31.9 24297.679 5.67 4.18 0.608 -0.339 3.1 0.627 0.195 0.46 2.0-.02-.06 5.4 1.7 .26 0.550 78 63 66 78 21.8 34646.240 6.85 4.18 0.524 -0.044 3.2 0.492 0.223 0.63 .89 .16-.06 3.3 1.0 .22 0.600 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.650 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.700 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.750 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.800 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.850 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.900 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.950 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Frac Z # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 527 374 387 526 48.0 54182.849 18.92 4.23 0.174 0.014 2.0 0.140 0.165 0.92 .23 .05 .00 2.2 .60 .19 0.050 508 395 405 507 28.5 70353.812 19.34 4.24 0.159 -0.017 2.2 0.148 0.128 0.67 .45 .02 .02 1.8 .65 .20 0.100 458 369 377 458 19.9 89934.338 21.99 4.24 0.182 0.009 2.8 0.167 0.156 0.84 .47 .09 .03 1.8 .64 .16 0.150 451 363 372 451 13.5 96005.957 23.80 4.25 0.158 -0.004 2.8 0.149 0.136 0.71 .55 .09 .05 1.6 .59 .18 0.200 330 282 287 330 6.1 99333.930 24.69 4.24 0.160 -0.018 3.1 0.157 0.147 0.81 .33 .10 .08 1.6 .55 .19 0.250 388 305 312 388 4.6 92441.580 23.11 4.25 0.173 -0.002 3.1 0.152 0.154 0.80 .42 .08 .08 1.1 .40 .15 0.300 525 391 401 525 3.8 93528.260 21.17 4.25 0.159 -0.037 10.0 0.133 0.145 0.80 .16 .09 .09 .90 .50 .17 0.350 601 434 439 601 2.3 104814.63 21.52 4.25 0.145 -0.012 2.6 0.123 0.141 0.81-.00 .05 .10 .63 .39 .17 0.400 698 454 465 696 3.2 101724.49 19.96 4.24 0.170 -0.011 3.8 0.158 0.148 0.78-.07 .09 .08 .51 .43 .16 0.450 425 334 341 424 4.2 153262.95 29.26 4.28 0.149 0.004 3.4 0.138 0.134 0.71-.10 .07 .04 .40 .33 .15 0.500 9116 1492 1560 9111 13.2 29805.634 10.59 4.23 0.177 0.021 1.6 0.166 0.148 0.75 .09 .10-.00 2.2 .60 .19 0.550 852 527 542 851 2.1 102478.17 19.47 4.24 0.165 0.015 2.7 0.150 0.150 0.77 .09 .05-.12 1.1 .43 .22 0.600 884 570 577 883 2.4 87400.434 18.06 4.24 0.165 -0.005 13.5 0.158 0.132 0.64 .04 .05-.14 1.2 .47 .22 0.650 873 586 597 873 2.4 75928.232 17.55 4.24 0.175 -0.009 2.6 0.154 0.131 0.65-.03 .06-.14 1.4 .43 .21 0.700 655 485 495 655 5.5 74495.255 18.38 4.24 0.175 -0.019 2.5 0.153 0.148 0.68-.07 .05-.11 1.4 .44 .20 0.750 762 567 581 761 8.8 85497.032 21.66 4.24 0.148 0.008 2.4 0.135 0.140 0.80-.04 .05-.10 1.9 .58 .17 0.800 621 484 504 620 17.6 78987.162 21.93 4.25 0.160 -0.031 3.0 0.149 0.147 0.70 .02 .01-.09 1.8 .61 .16 0.850 561 437 455 560 23.9 66470.841 19.60 4.24 0.154 0.000 2.2 0.146 0.147 0.79-.03 .04-.06 1.9 .54 .14 0.900 599 462 474 599 36.4 72930.485 22.90 4.24 0.136 0.007 2.1 0.126 0.120 0.75 .11 .07-.04 2.1 .63 .15 0.950 482 362 372 481 46.5 44698.817 15.69 4.23 0.182 -0.033 2.0 0.160 0.184 0.91-.09 .04-.02 2.1 .61 .14 1.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) PeakCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1 1 1 1100.0 -0.881000 -0.01 4.16897795.025-897795.0259777.7862142.651106957.119 0.24-.50 .28 .00 .50 .28 .00 480.289 587 385 398 586 26.6 9655.912 4.66 4.25 0.399 -0.105 9.0 0.286 0.384 1.11-.05 .17 .00 2.3 .56 .19 960.578 7223 1482 1551 7220 14.1 22018.655 7.95 4.23 0.195 0.001 1.5 0.181 0.173 0.72 .01 .10 .01 1.9 .51 .19 1921.156 8803 1737 1828 8793 13.2 42236.377 11.92 4.22 0.181 -0.010 1.9 0.165 0.159 0.76 .11 .06-.03 1.6 .53 .18 3842.312 3034 1236 1282 3032 11.8 92778.351 19.70 4.23 0.178 -0.009 2.9 0.163 0.148 0.75 .27 .06-.05 2.2 .70 .19 7684.625 420 167 170 420 2.4 421786.72 53.25 4.39 0.143 0.018 7.1 0.131 0.114 0.66 .24 .01-.02 1.8 .71 .14 15369.250 152 46 46 152 0.0 763482.98 90.09 4.56 0.115 0.006 10.5 0.104 0.142 0.81-.01-.01 .00 .16 .22 .10 30738.500 49 22 23 49 0.0 1134429.7 135.03 4.80 0.110 0.062 15.0 0.104 0.128 0.80 .00 .01 .03 .21 .23 .16 61477.000 42 14 15 42 0.0 1454490.1 139.11 4.91 0.114 0.007 17.0 0.100 0.082 0.57-.07-.03 .10 .28 .41 .33 122954.000 5 2 2 5 0.0 1173482.8 90.67 5.13 0.096 -0.008 9.5 0.108 0.058 0.36 .07 .07-.08 .11 .12 .15 245908.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) BgndCts # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 0.562 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.123 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.685 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.246 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 2.808 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.370 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.931 19981 1885 1991 19965 13.5 48750.468 14.02 4.23 0.180 -0.009 2.7 0.165 0.150 0.76 .10 .08-.02 1.9 .56 .19 4.493 310 101 102 310 1.0 716814.82 91.42 4.65 0.108 0.036 9.0 0.097 0.126 0.83-.00 .01 .01 .12 .19 .10 5.054 25 12 12 25 0.0 1498092.2 118.18 5.22 0.103 0.013 12.5 0.095 0.132 0.74 .03 .01 .02 .10 .08 .08 5.616 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) ErrX # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 2222 788 826 2221 34.9 8677.781 4.25 4.22 0.348 -0.101 1.5 0.337 0.196 0.52-2.8 .10 .16 3.2 .71 .22 -1.380 242 209 213 242 13.6 15367.343 5.83 4.22 0.236 -0.006 1.4 0.232 0.163 0.51-1.3 .11 .11 1.3 .55 .19 -1.260 262 225 229 262 14.1 17099.520 6.50 4.22 0.229 -0.018 1.4 0.231 0.156 0.52-1.2 .14 .09 1.2 .50 .20 -1.140 290 255 257 290 11.7 22643.639 7.22 4.22 0.239 0.018 1.6 0.233 0.143 0.51-1.1 .12 .06 1.1 .45 .19 -1.020 356 290 297 356 14.0 24616.578 7.81 4.22 0.226 -0.018 1.7 0.225 0.150 0.52-.96 .13 .05 .96 .41 .18 -0.900 402 328 337 402 9.7 24557.921 7.64 4.22 0.260 -0.065 1.8 0.255 0.136 0.45-.84 .14 .03 .84 .51 .18 -0.780 496 390 399 496 8.9 30742.916 9.05 4.22 0.243 -0.058 1.9 0.229 0.172 0.61-.72 .14 .03 .72 .47 .17 -0.660 574 437 446 574 7.1 33050.546 9.27 4.22 0.195 0.021 1.6 0.191 0.134 0.54-.60 .14 .01 .60 .46 .20 -0.540 636 487 502 636 9.3 39709.871 10.94 4.22 0.239 -0.050 17.4 0.226 0.136 0.56-.48 .10 .02 .48 .45 .19 -0.420 776 554 562 776 6.7 41196.028 10.69 4.22 0.194 -0.008 1.9 0.185 0.151 0.61-.36 .08-.00 .36 .38 .19 -0.300 1045 718 731 1045 4.5 68338.343 16.01 4.23 0.167 -0.018 2.3 0.159 0.160 0.73-.24 .05-.02 .24 .41 .18 -0.180 1627 988 1006 1623 3.1 129422.29 26.08 4.26 0.152 -0.018 3.2 0.132 0.144 0.76-.12 .04-.01 .12 .34 .16 -0.060 2304 1118 1151 2298 2.5 172881.15 31.77 4.30 0.138 0.016 3.5 0.124 0.134 0.77-.00 .03-.01 .04 .30 .15 0.060 1613 962 984 1612 4.2 127846.99 26.03 4.27 0.137 0.017 2.9 0.123 0.131 0.75 .12 .05-.02 .12 .32 .17 0.180 975 697 714 974 6.2 75616.666 18.83 4.24 0.160 0.042 2.4 0.147 0.128 0.68 .24 .09-.03 .24 .39 .17 0.300 785 573 588 785 5.4 44692.871 11.97 4.22 0.174 0.017 2.6 0.162 0.135 0.63 .36 .09-.05 .36 .42 .18 0.420 559 428 438 559 7.2 37083.756 10.73 4.22 0.211 -0.026 1.9 0.206 0.137 0.56 .48 .08-.04 .48 .40 .18 0.540 550 420 437 550 8.5 29318.497 8.87 4.22 0.261 -0.047 3.0 0.236 0.186 0.66 .60 .09-.06 .60 .43 .18 0.660 483 368 377 483 10.1 24928.914 7.91 4.22 0.222 -0.012 1.7 0.216 0.142 0.54 .72 .05-.08 .72 .44 .18 0.780 373 313 318 373 9.1 22472.377 7.38 4.22 0.206 0.008 1.5 0.197 0.151 0.57 .84 .08-.08 .84 .40 .18 0.900 337 279 287 337 12.8 18233.252 6.52 4.22 0.217 -0.012 1.4 0.219 0.150 0.51 .96 .11-.10 .96 .49 .18 1.020 347 293 302 347 15.9 14830.537 5.76 4.22 0.283 -0.085 1.6 0.273 0.174 0.54 1.1 .09-.10 1.1 .48 .19 1.140 266 226 231 266 15.0 14223.200 5.69 4.22 0.259 -0.074 1.5 0.242 0.194 0.61 1.2 .09-.08 1.2 .51 .19 1.260 212 181 186 212 19.3 13371.407 5.50 4.22 0.263 -0.081 1.5 0.262 0.166 0.51 1.3 .08-.10 1.3 .55 .17 1.380 2584 805 853 2581 33.7 7393.788 4.02 4.22 0.329 -0.077 2.7 0.284 0.266 0.77 3.2 .07-.18 3.9 1.0 .22 1.500 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) ErrY # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 199 163 174 199 47.7 13204.440 7.76 4.20 0.750 -0.481 24.0 0.607 0.609 1.21 3.0-2.1-.08 6.3 2.2 .25 -1.380 66 61 65 66 43.9 13862.707 7.68 4.20 0.213 0.005 1.4 0.184 0.189 0.68 1.2-1.3-.04 4.2 1.3 .20 -1.260 78 73 75 78 35.9 17764.332 9.03 4.21 0.252 0.147 1.3 0.266 0.103 0.42 .38-1.2-.00 3.5 1.2 .21 -1.140 95 92 94 95 28.4 18990.874 8.89 4.22 0.292 0.159 1.7 0.319 0.122 0.47 .43-1.1-.01 3.7 1.1 .23 -1.020 143 117 126 143 33.6 16413.709 8.32 4.22 0.227 -0.015 1.5 0.211 0.139 0.53 .77-.96-.03 3.1 .96 .20 -0.900 201 176 180 201 27.9 22220.663 9.43 4.21 0.344 -0.230 1.8 0.311 0.239 0.76 .02-.84 .02 2.8 .84 .21 -0.780 277 233 241 277 29.6 23166.341 9.68 4.22 0.217 0.028 3.4 0.183 0.165 0.81 .23-.71-.01 2.7 .72 .18 -0.660 410 333 340 410 26.6 31123.797 12.10 4.23 0.198 0.015 1.7 0.184 0.168 0.60 .15-.59-.01 2.1 .59 .20 -0.540 596 471 489 595 18.6 38207.406 13.39 4.23 0.179 -0.010 2.0 0.155 0.145 0.68 .04-.48-.01 2.0 .48 .18 -0.420 1044 726 755 1044 14.8 46559.676 14.39 4.24 0.175 0.015 1.9 0.167 0.129 0.69 .01-.36-.02 1.5 .36 .17 -0.300 1612 1027 1065 1608 12.1 62868.654 17.20 4.24 0.148 0.019 1.9 0.126 0.147 0.82 .03-.24-.02 1.3 .24 .18 -0.180 2403 1307 1352 2399 9.8 76980.797 19.32 4.25 0.146 0.014 2.2 0.130 0.148 0.83 .00-.12-.01 1.2 .12 .19 -0.060 3496 1521 1571 3494 7.1 103037.05 23.50 4.26 0.144 0.011 2.5 0.129 0.134 0.75-.00 .00-.02 1.1 .04 .18 0.060 2764 1368 1403 2762 8.0 77493.086 19.14 4.25 0.169 -0.008 2.4 0.157 0.141 0.68 .00 .12-.03 1.2 .12 .18 0.180 1989 1136 1168 1988 11.3 53805.025 15.01 4.24 0.184 -0.002 7.0 0.173 0.140 0.68-.05 .24-.02 1.4 .24 .18 0.300 1411 918 940 1411 11.9 43672.533 12.87 4.23 0.180 0.006 1.9 0.169 0.138 0.66 .07 .36-.01 1.4 .36 .18 0.420 1003 727 739 1003 12.9 42910.205 13.25 4.23 0.188 -0.005 2.0 0.191 0.143 0.63-.00 .47-.01 1.6 .48 .18 0.540 660 517 532 660 15.3 31633.524 10.10 4.21 0.177 -0.040 1.6 0.174 0.134 0.55 .01 .59-.01 1.9 .59 .19 0.660 467 389 398 466 21.6 22764.186 8.20 4.21 0.216 -0.067 1.6 0.220 0.150 0.52 .05 .72 .00 2.1 .72 .19 0.780 336 294 301 336 17.6 22080.308 8.22 4.21 0.278 -0.158 1.8 0.265 0.188 0.57 .24 .84-.02 2.0 .84 .18 0.900 246 213 223 245 23.2 19932.896 8.36 4.21 0.206 -0.100 1.5 0.205 0.164 0.59 .37 .96-.01 2.6 .96 .19 1.020 195 179 183 195 21.0 21694.032 8.92 4.21 0.345 -0.242 2.4 0.345 0.128 0.39-.14 1.1 .03 2.7 1.1 .23 1.140 139 131 133 139 28.8 14948.035 6.19 4.21 0.275 -0.142 1.6 0.280 0.161 0.43-.09 1.2 .01 2.8 1.2 .20 1.260 94 89 90 94 19.1 20878.732 8.15 4.21 0.185 -0.036 1.3 0.185 0.166 0.60 .62 1.3-.05 2.8 1.3 .20 1.380 392 287 295 392 33.4 13075.428 6.23 4.20 0.334 -0.232 2.4 0.353 0.202 0.49 1.6 2.0-.05 5.5 2.2 .23 1.500 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) ErrZ # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -1.500 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.380 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.260 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 -1.020 1 1 1 1 0.0 142027.00 17.33 4.25 0.098 -0.098 1.7 0.092 0.014 0.12 .08-.14-.99 .08 .14 .99 -0.900 8 8 8 8 0.0 70393.525 11.95 4.20 0.069 -0.015 0.8 0.123 0.154 0.76-.58 .02-.82 .72 .33 .82 -0.780 13 12 12 13 0.0 115599.22 16.33 4.21 0.135 0.047 1.9 0.117 0.096 0.40-.19-.00-.72 .37 .13 .72 -0.660 23 23 23 23 4.3 142132.78 18.84 4.24 0.171 0.112 3.4 0.178 0.110 0.60 .83 .47-.60 5.3 2.1 .60 -0.540 91 85 86 90 9.9 88688.172 15.95 4.21 0.256 0.063 3.5 0.256 0.142 0.68 2.2 .25-.46 5.8 1.5 .46 -0.420 1081 671 689 1081 9.8 46919.888 12.30 4.23 0.210 -0.004 2.2 0.197 0.146 0.64 1.8 .10-.34 3.3 .77 .34 -0.300 2956 1190 1237 2955 10.9 34360.882 10.41 4.23 0.195 -0.004 1.8 0.183 0.147 0.65 1.1 .08-.23 2.3 .64 .24 -0.180 3347 1293 1345 3344 18.3 31463.278 10.64 4.22 0.178 0.010 1.6 0.168 0.148 0.70 .66 .08-.12 1.6 .56 .12 -0.060 6851 1761 1837 6843 12.1 106394.66 25.15 4.26 0.147 0.009 4.7 0.130 0.139 0.77 .01 .05-.00 .94 .41 .03 0.060 2977 1283 1335 2976 14.8 40316.492 12.86 4.23 0.173 -0.002 1.7 0.162 0.145 0.74-.52 .08 .12 1.4 .52 .12 0.180 2138 1045 1079 2138 12.8 36642.014 11.81 4.23 0.193 -0.040 1.9 0.186 0.147 0.63-1.3 .13 .23 2.1 .60 .23 0.300 655 460 475 653 15.7 36498.023 12.65 4.25 0.229 -0.124 2.8 0.232 0.170 0.66-2.4 .10 .34 3.4 .65 .34 0.420 62 60 61 62 3.2 96575.315 17.03 4.23 0.227 -0.127 3.9 0.231 0.187 0.64-.15-.03 .47 .88 .50 .47 0.540 44 44 44 44 4.5 68047.839 14.60 4.21 0.246 -0.182 3.6 0.246 0.205 0.72 .03 .00 .61 .58 .34 .61 0.660 45 43 44 45 6.7 32882.742 8.55 4.20 0.292 -0.263 2.4 0.298 0.179 0.44-.15 .04 .72 .67 .34 .72 0.780 16 16 16 16 18.8 24377.756 7.07 4.21 0.469 -0.405 3.3 0.461 0.148 0.34-.30-.02 .83 .83 .28 .83 0.900 4 4 4 4 0.0 36398.524 8.33 4.19 0.241 -0.241 2.3 0.194 0.178 0.60 .21-.16 .94 .32 .20 .94 1.020 1 1 1 1100.0 574.547 0.75 4.19 4.433 -4.433 3.3 2.454 4.949 2.07 1.2-.82 1.1 1.2 .82 1.1 1.140 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 1.260 2 2 2 2 50.0 100810.75 71.12 4.29 0.094 -0.094 7.9 0.101 0.057 0.55-2.1 .24 1.3 3.2 .84 1.3 1.380 1 1 1 1 0.0 223441.00 152.10 4.32 0.166 -0.166 25.2 0.196 0.048 0.19-1.2-1.9 1.4 1.2 1.9 1.4 1.500 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) #Equivs # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 16 0 16 0 18.8 113438.24 24.85 4.25 0.000 0.000 0.0 0.000 0.000 0.00 1.4 .02-.01 5.1 .36 .19 1.000 122 40 61 122 9.8 129577.14 28.82 4.29 0.178 0.000 3.5 0.000 0.358 0.00 .26-.11 .02 1.6 .45 .19 2.000 324 94 108 324 4.9 153960.72 35.34 4.31 0.137 -0.000 3.4 0.150 0.130 0.68 .13-.02-.00 1.8 .41 .17 3.000 456 96 114 456 12.7 114966.05 28.69 4.28 0.173 0.000 12.8 0.138 0.268 1.59 .42-.02-.00 1.9 .53 .17 4.000 700 136 140 700 8.1 98545.584 22.24 4.24 0.166 -0.000 2.9 0.157 0.104 0.60 .19 .04 .00 2.2 .49 .20 5.000 1044 169 174 1044 4.8 131321.05 28.24 4.27 0.158 -0.000 12.6 0.144 0.117 0.73 .31 .03-.01 1.8 .46 .17 6.000 1421 192 203 1421 5.7 145389.99 30.94 4.28 0.135 -0.000 3.6 0.115 0.123 0.87 .11 .02-.00 1.6 .48 .16 7.000 1264 148 158 1264 11.7 111677.01 28.40 4.27 0.148 0.000 3.0 0.132 0.110 0.69 .07 .05 .00 1.8 .55 .18 8.000 1179 126 131 1179 10.2 98305.303 26.87 4.25 0.123 -0.000 2.3 0.104 0.110 0.83 .04 .07-.01 1.6 .47 .18 9.000 13790 912 915 13790 15.7 32202.671 9.99 4.22 0.199 -0.000 1.7 0.188 0.127 0.62 .06 .10-.02 1.9 .58 .19 10.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Compon# # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 1.000 20316 1913 2020 20300 13.3 60727.899 17.08 4.24 0.165 -0.000 2.8 0.151 0.138 0.77 .09 .08-.02 1.8 .55 .19 2.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 3.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 4.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 5.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 6.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 7.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 8.000 0 0 0 0 0.0 0.000 0.00 0.00 0.000 0.000 0.0 0.000 0.000 0.00 .00 .00 .00 .00 .00 .00 9.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Angstms # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 9999.000 1393 210 219 1393 1.7 373503.73 60.94 4.43 0.129 -0.000 17.0 0.112 0.128 0.82 .01-.01 .01 .17 .24 .10 1.721 1154 188 205 1148 2.2 137592.47 26.46 4.28 0.155 -0.000 3.4 0.140 0.130 0.76 .02-.00-.00 .22 .36 .12 1.366 1101 192 207 1096 2.1 95712.221 18.20 4.23 0.180 0.000 2.7 0.152 0.191 0.99-.04 .01 .01 .40 .34 .20 1.193 1800 192 198 1800 7.3 62040.660 12.07 4.20 0.220 -0.000 2.4 0.211 0.152 0.63-.30 .05 .01 1.0 .39 .23 1.084 2990 194 196 2990 12.1 37158.327 8.93 4.19 0.173 -0.000 1.4 0.166 0.107 0.62 .03 .09-.03 1.1 .42 .18 1.007 3047 208 209 3047 13.8 29541.493 8.33 4.22 0.196 -0.000 1.5 0.189 0.123 0.59-.01 .11-.03 1.2 .49 .18 0.947 2619 184 187 2619 16.7 22511.424 7.74 4.24 0.214 -0.000 1.5 0.208 0.119 0.52 .01 .09-.02 1.6 .56 .20 0.900 2603 189 200 2603 17.1 15855.393 6.80 4.24 0.240 -0.000 1.6 0.229 0.150 0.56 .09 .12-.02 2.1 .61 .21 0.861 2092 176 199 2092 21.0 11807.440 6.64 4.23 0.239 -0.000 1.5 0.227 0.164 0.65 .12 .07-.02 2.6 .69 .19 0.828 1517 180 200 1512 26.4 7631.342 5.75 4.21 0.288 -0.000 1.6 0.273 0.219 0.71 1.2 .10-.04 4.2 1.0 .19 0.799 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Intens # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 4330 649 698 4326 62.1 2392.573 1.64 4.22 0.883 -0.695 4.6 0.792 1.013 0.80 .34 .07-.01 3.4 .85 .18 5451.172 2816 676 708 2814 0.7 7984.882 3.85 4.22 0.412 -0.228 1.6 0.394 0.307 0.54 .20 .08-.02 1.9 .57 .18 10902.344 3351 709 733 3350 0.0 15877.199 5.73 4.22 0.296 -0.092 1.8 0.278 0.264 0.65 .07 .11-.02 1.3 .49 .18 21804.688 3971 693 715 3971 0.0 31703.276 8.58 4.22 0.184 0.008 1.6 0.177 0.168 0.61-.02 .08-.02 .81 .43 .19 43609.375 2753 528 549 2751 0.0 60698.949 12.45 4.23 0.164 0.008 2.1 0.153 0.167 0.71-.07 .08-.03 .55 .37 .21 87218.750 1591 356 368 1588 0.0 121763.00 19.43 4.26 0.151 0.006 3.1 0.136 0.159 0.81-.02 .04-.02 .27 .33 .19 174437.500 871 234 242 868 0.0 243293.96 32.75 4.33 0.144 0.005 5.0 0.128 0.149 0.80-.01-.00-.02 .17 .27 .17 348875.000 399 119 121 398 0.0 482217.96 52.58 4.42 0.151 0.013 8.3 0.133 0.139 0.75-.01 .02-.01 .13 .22 .10 697750.000 203 47 48 203 0.0 950445.30 89.51 4.62 0.116 0.039 10.7 0.107 0.111 0.65 .00-.00 .01 .14 .19 .08 1395500.0 31 7 8 31 0.0 2055516.1 139.13 4.97 0.116 0.038 17.5 0.100 0.128 0.67 .02-.01 .02 .15 .19 .05 2791000.0 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) #Sigmas # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 2289 403 433 2286100.0 1204.796 0.82 4.21 1.645 -1.524 7.2 1.408 2.276 0.96 .35 .06-.01 3.7 .92 .18 1.696 1757 518 549 1756 23.9 4156.581 2.32 4.22 0.626 -0.425 1.4 0.588 0.428 0.54 .19 .08-.02 2.7 .73 .17 2.876 3372 745 780 3371 0.0 8756.528 3.93 4.22 0.405 -0.230 1.6 0.382 0.313 0.55 .17 .10-.02 1.9 .59 .18 4.877 4492 811 836 4491 0.0 20523.218 6.52 4.22 0.244 0.008 1.7 0.234 0.192 0.60 .07 .10-.02 1.3 .47 .19 8.272 4532 782 811 4530 0.0 44094.124 10.76 4.22 0.166 0.001 1.8 0.157 0.156 0.66-.01 .09-.02 .80 .44 .21 14.028 2126 489 511 2122 0.0 103019.65 17.72 4.25 0.162 0.023 3.0 0.146 0.162 0.82-.02 .03-.02 .36 .33 .19 23.789 928 248 258 925 0.0 209886.51 30.56 4.32 0.154 0.010 4.6 0.135 0.144 0.84 .00-.01-.01 .13 .30 .13 40.343 502 132 134 501 0.0 418901.62 52.12 4.41 0.137 0.003 6.9 0.119 0.117 0.69-.00-.00-.01 .11 .23 .09 68.418 242 68 68 242 0.0 747282.70 86.26 4.59 0.117 0.009 10.0 0.109 0.124 0.75-.00 .00 .01 .16 .22 .11 116.029 76 25 26 76 0.0 1279075.7 148.90 4.83 0.114 0.038 16.8 0.104 0.118 0.77-.03-.01 .05 .24 .34 .26 196.771 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Rsym # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1770 1054 1082 1770 4.5 92908.563 22.20 4.25 0.015 0.000 0.2 0.048 0.116 0.73 .02 .06-.01 1.3 .45 .18 0.030 1836 1080 1118 1836 5.2 84924.491 20.61 4.25 0.045 0.002 0.6 0.060 0.124 0.73 .04 .07-.02 1.3 .46 .18 0.060 1665 1003 1031 1665 4.5 84688.483 20.65 4.25 0.075 0.011 1.1 0.073 0.129 0.81 .12 .06-.02 1.3 .45 .18 0.090 1623 1025 1050 1623 5.1 84070.058 20.94 4.25 0.104 0.007 1.5 0.092 0.136 0.85-.00 .08-.01 1.4 .45 .18 0.120 1438 942 959 1438 5.1 78618.931 19.31 4.25 0.134 0.029 1.8 0.120 0.138 0.80 .04 .09-.02 1.3 .45 .18 0.150 1381 927 947 1381 4.2 80630.130 19.64 4.25 0.165 0.054 2.2 0.136 0.121 0.63 .03 .07-.02 1.3 .46 .18 0.180 1278 894 911 1278 5.7 76557.686 19.13 4.24 0.195 0.060 2.5 0.166 0.149 0.74 .09 .08-.02 1.4 .48 .18 0.210 1120 811 832 1120 6.3 63989.398 16.71 4.24 0.225 0.062 2.6 0.184 0.155 0.77 .23 .07-.03 1.6 .55 .18 0.240 905 678 687 905 8.3 61600.570 16.31 4.24 0.254 0.047 2.8 0.209 0.159 0.74 .05 .08-.02 1.6 .50 .18 0.270 835 625 643 835 7.8 53679.820 15.03 4.23 0.285 0.041 2.8 0.236 0.160 0.69 .03 .07-.02 1.7 .54 .19 0.300 702 557 568 702 10.4 39334.193 11.83 4.23 0.314 0.020 2.6 0.263 0.195 0.71 .08 .10-.02 1.8 .52 .19 0.330 579 459 467 579 9.3 40381.142 12.31 4.23 0.343 0.006 2.8 0.290 0.159 0.62 .13 .06-.02 1.8 .53 .18 0.360 498 409 421 498 14.3 36062.973 11.31 4.22 0.375 -0.012 2.9 0.335 0.175 0.60 .24 .07-.03 1.8 .58 .18 0.390 408 348 360 408 12.5 29291.154 9.33 4.23 0.405 0.042 2.7 0.347 0.199 0.65 .12 .05-.02 2.0 .58 .18 0.420 341 290 301 341 16.4 27763.652 9.35 4.23 0.434 -0.019 2.9 0.388 0.165 0.49 .23 .06-.03 2.0 .53 .18 0.450 326 279 289 326 17.2 32705.190 10.81 4.23 0.463 -0.031 3.2 0.429 0.149 0.45 .07 .05-.03 2.0 .58 .18 0.480 305 255 264 305 24.9 22385.991 8.14 4.23 0.494 0.028 2.8 0.465 0.173 0.49 .03 .03-.02 2.3 .67 .18 0.510 236 211 214 236 21.6 21195.033 7.96 4.22 0.525 -0.185 2.9 0.472 0.224 0.56-.09 .09 .00 1.8 .56 .20 0.540 184 164 170 184 20.1 20897.042 8.02 4.22 0.554 -0.217 3.2 0.508 0.202 0.49 .10 .03-.03 2.5 .66 .21 0.570 2870 1032 1083 2870 50.0 7985.940 4.19 4.21 1.204 -1.130 8.7 1.070 0.504 0.69 .23 .11-.01 3.1 .83 .21 0.600 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) dI/I # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ -0.500 3212 1165 1218 3212 43.2 10631.699 5.26 4.21 0.971 -0.978 8.2 0.865 0.391 0.64 .17 .11-.01 2.8 .78 .21 -0.460 222 204 208 222 15.3 32095.167 11.26 4.21 0.440 -0.440 3.2 0.402 0.203 0.47 .06 .10-.01 1.8 .56 .20 -0.420 263 242 250 263 17.1 30631.956 10.81 4.22 0.398 -0.398 2.9 0.326 0.241 0.67 .12 .09-.01 1.7 .54 .20 -0.380 334 296 303 334 10.2 39896.549 12.86 4.22 0.360 -0.360 3.2 0.305 0.221 0.69 .09 .08 .00 1.5 .54 .19 -0.340 375 320 326 375 9.9 47091.930 13.79 4.22 0.319 -0.319 3.0 0.257 0.235 0.69 .01 .11 .00 1.6 .51 .20 -0.300 476 406 413 476 9.0 56503.478 16.15 4.23 0.279 -0.279 3.0 0.220 0.197 0.73-.02 .08-.01 1.6 .53 .20 -0.260 582 489 490 582 7.4 56016.395 15.86 4.22 0.239 -0.239 2.7 0.187 0.182 0.69 .17 .10-.01 1.7 .56 .19 -0.220 659 534 547 659 7.0 64134.343 17.01 4.23 0.198 -0.198 2.4 0.165 0.183 0.78 .11 .09-.01 1.4 .50 .20 -0.180 797 608 618 797 5.9 63777.571 16.90 4.23 0.160 -0.160 2.0 0.133 0.139 0.67-.02 .08 .00 1.3 .47 .19 -0.140 917 695 707 917 6.3 78071.069 19.83 4.24 0.119 -0.119 1.7 0.107 0.151 0.84-.08 .08-.01 1.4 .48 .20 -0.100 999 726 747 999 5.0 82505.892 20.57 4.25 0.081 -0.081 1.2 0.086 0.146 0.84 .08 .07-.01 1.3 .44 .19 -0.060 1163 803 826 1163 5.2 86303.178 20.75 4.25 0.040 -0.040 0.6 0.057 0.119 0.70-.05 .08-.01 1.3 .48 .18 -0.020 1178 833 850 1178 4.2 94423.868 22.49 4.26 0.010 0.001 0.2 0.049 0.117 0.75 .08 .06-.02 1.2 .44 .18 0.020 1265 848 879 1265 5.0 85982.299 20.95 4.25 0.040 0.040 0.6 0.056 0.111 0.67 .07 .06-.02 1.3 .45 .17 0.060 1218 830 854 1218 4.2 90162.003 21.74 4.26 0.080 0.080 1.1 0.070 0.117 0.82 .14 .06-.03 1.4 .43 .18 0.100 1135 792 807 1135 4.1 82189.489 19.90 4.25 0.120 0.120 1.6 0.108 0.123 0.82 .04 .10-.02 1.3 .47 .17 0.140 1041 775 791 1041 3.6 90209.979 20.84 4.25 0.161 0.161 2.2 0.132 0.116 0.64 .10 .06-.03 1.3 .44 .18 0.180 992 748 764 992 5.1 79776.153 19.37 4.25 0.199 0.199 2.5 0.168 0.135 0.76 .05 .07-.02 1.5 .46 .17 0.220 786 609 624 786 6.4 68535.620 17.28 4.25 0.238 0.238 2.7 0.203 0.133 0.72 .20 .07-.04 1.7 .56 .17 0.260 643 503 517 643 7.9 54916.554 14.74 4.24 0.280 0.280 2.7 0.240 0.135 0.67 .08 .06-.03 1.7 .53 .17 0.300 529 433 442 529 9.6 38842.261 11.49 4.24 0.320 0.320 2.5 0.280 0.134 0.62 .17 .07-.03 1.9 .52 .17 0.340 383 331 338 383 12.3 28939.659 9.23 4.24 0.359 0.359 2.5 0.321 0.131 0.55 .22 .05-.04 2.1 .60 .17 0.380 303 259 270 303 11.6 33765.232 9.74 4.24 0.398 0.398 2.6 0.356 0.142 0.61 .22 .04-.04 2.2 .58 .16 0.420 237 206 215 237 16.5 27735.991 8.66 4.24 0.440 0.440 2.7 0.410 0.103 0.46 .16 .02-.04 2.2 .49 .16 0.460 591 356 372 591 42.3 18403.018 7.10 4.23 0.521 0.521 2.3 0.489 0.117 0.52 .26-.03-.04 3.1 .80 .17 0.500 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) dI/sig # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 8818 1657 1737 8818 22.1 28176.216 9.75 4.22 0.050 0.001 0.5 0.075 0.130 0.73 .14 .08-.02 2.2 .61 .18 1.000 4952 1548 1608 4952 8.8 39732.533 11.70 4.23 0.125 0.015 1.4 0.122 0.124 0.70 .10 .07-.02 1.7 .54 .19 2.000 2618 1211 1236 2618 5.3 56122.339 14.61 4.24 0.168 0.006 2.5 0.154 0.136 0.75 .08 .09-.02 1.4 .49 .19 3.000 1369 876 892 1369 5.5 80369.629 18.64 4.25 0.186 0.011 3.5 0.167 0.147 0.79 .03 .07-.01 1.5 .48 .20 4.000 771 577 585 771 4.2 104467.22 22.64 4.26 0.197 0.005 4.5 0.167 0.144 0.76 .03 .06-.02 1.2 .47 .19 5.000 446 366 370 446 4.0 146111.52 28.36 4.28 0.192 0.003 5.5 0.167 0.144 0.79-.11 .07-.02 1.2 .46 .20 6.000 314 264 270 314 5.7 142834.18 27.03 4.28 0.240 0.002 6.5 0.200 0.162 0.75-.04 .07-.02 1.4 .44 .20 7.000 235 204 207 235 4.3 206551.53 37.28 4.31 0.201 0.009 7.5 0.167 0.149 0.82 .23 .02-.01 2.0 .52 .20 8.000 169 147 149 169 5.3 267210.98 45.54 4.34 0.187 0.014 8.5 0.143 0.139 0.87-.00 .05-.02 1.0 .42 .17 9.000 122 110 111 122 4.1 227284.20 38.61 4.31 0.246 0.024 9.5 0.204 0.135 0.66-.04 .05-.01 .89 .58 .19 10.000 97 81 85 97 4.1 311307.13 47.67 4.36 0.221 0.006 10.5 0.181 0.159 0.84-.21 .10 .03 1.1 .38 .20 11.000 68 61 61 68 0.0 360019.16 50.90 4.34 0.227 0.006 11.5 0.223 0.130 0.68-.19 .05 .05 .88 .33 .21 12.000 43 42 43 43 2.3 343073.89 49.79 4.34 0.251 -0.022 12.4 0.213 0.137 0.63-.15 .05 .03 .71 .29 .18 13.000 46 41 41 46 0.0 394662.89 54.11 4.40 0.250 -0.059 13.5 0.217 0.146 0.69 .03 .13-.03 1.2 .43 .17 14.000 34 32 32 34 0.0 324067.14 55.90 4.36 0.260 0.017 14.5 0.211 0.126 0.76-.37 .04 .01 1.4 .36 .17 15.000 40 35 35 40 0.0 514979.53 68.91 4.37 0.225 -0.033 15.5 0.182 0.126 0.68-.38 .12 .06 1.3 .33 .24 16.000 25 23 24 25 4.0 516126.24 64.32 4.44 0.258 0.050 16.6 0.269 0.152 0.77 .11-.05 .00 .37 .32 .16 17.000 23 22 22 23 0.0 540638.83 79.01 4.42 0.220 -0.000 17.4 0.194 0.105 0.48-.48 .18 .05 .00 .60 .17 18.000 17 17 17 17 0.0 663257.44 76.45 4.47 0.242 -0.108 18.5 0.195 0.142 0.54-.04 .09-.03 .17 .14 .18 19.000 8 8 8 8 0.0 853131.88 109.07 4.59 0.179 0.030 19.6 0.148 0.173 0.59 .00-.17 .09 .21 .29 .20 20.000 12 11 11 12 8.3 615955.94 88.11 4.45 0.231 -0.043 20.4 0.222 0.151 0.61-.45 .13 .00 1.2 .29 .13 21.000 9 9 9 9 11.1 251634.94 44.43 4.29 0.484 -0.484 21.5 0.477 0.282 0.66-.56 .20 .05 1.5 .40 .28 22.000 3 3 3 3 0.0 173486.53 71.35 4.33 0.315 -0.315 22.5 0.227 0.149 0.71 .17 .09-.25 .75 .21 .42 23.000 7 7 7 7 14.3 583677.94 73.93 4.46 0.318 -0.049 23.5 0.256 0.223 0.85-.11 .06 .07 .17 .35 .34 24.000 54 35 36 54 11.1 756955.10 108.74 4.53 0.363 -0.102309.5 0.308 0.176 0.65-.18-.06 .07 .81 .71 .27 25.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Overall # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 20316 1913 2020 20300 13.3 60727.899 17.08 4.24 0.165 -0.000 2.8 0.151 0.138 0.77 .09 .08-.02 1.8 .55 .19 1.000 Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) Centric # Pairs Uniq Merg %<2s <#Sig> Rsym dI/I dI/s R+ Ranom Canom ErX ErY ErZ RmX RmY RmZ 0.000 1573 221 308 1561 22.4 81969.377 23.27 4.26 0.164 -0.000 5.1 0.161 0.180 0.80 .05 .01-.01 1.8 .58 .18 1.000 Coverage Statistics Integration of marc002 ...1.1(1): component 1 in sample 1 (component 1 in cu_marc002_0m.raw) .......Shell...... Angstrms #Obs Theory %Compl Redund Rsym Pairs %Pairs Rshell #Sigma %<2s to 1.721 219 219 100.00 6.36 0.129 210 95.89 0.129 60.94 1.7 to 1.366 424 424 100.00 6.01 0.135 398 93.87 0.155 26.46 2.2 to 1.193 631 631 100.00 5.78 0.141 590 93.50 0.180 18.20 2.1 to 1.084 829 829 100.00 6.57 0.151 782 94.33 0.220 12.07 7.3 to 1.007 1025 1025 100.00 8.23 0.153 976 95.22 0.173 8.93 12.1 to 0.947 1234 1234 100.00 9.31 0.157 1184 95.95 0.196 8.33 13.8 to 0.900 1421 1421 100.00 9.93 0.159 1368 96.27 0.214 7.74 16.7 to 0.861 1621 1621 100.00 10.31 0.162 1557 96.05 0.240 6.80 17.1 to 0.828 1820 1820 100.00 10.33 0.164 1733 95.22 0.239 6.64 21.0 to 0.799 2020 2025 99.75 10.06 0.165 1913 94.47 0.288 5.75 26.4 Local LS refinement averages ============== 02/27/2015 11:41:04 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Local averages for component 1.1(1) (component 1 in sample 1, 1 in file) Number of local refinements averaged: 30 Averaged orientation ('UB') matrix: -0.0632513 0.1168428 -0.0197721 0.0268670 -0.0307756 -0.0503882 -0.1321959 -0.0621602 -0.0122183 Weighted average cell constants: A B C Alpha Beta Gamma Vol 6.8269 7.3593 18.3316 90.000 100.544 90.000 905.45 0.0003 0.0003 0.0008 0.000 0.001 0.000 0.11 Std deviations of the 30 input local LS results: 0.0066 0.0074 0.0177 0.000 0.046 0.000 2.51 Range of reflections used: Worst res Best res Min 2Theta Max 2Theta 18.0242 0.8039 4.903 147.085 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: T (512 = 200[hex]) T: Crystal Translations Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.0439 0.1919 -0.0652 -0.2600 -0.0769 -0.9679 Unconstrained global unit cell refinement ============== 02/27/2015 11:41:04 Performing final unit cell least squares on file /home/isengard/data/marc002/work/cu_marc002_01._ma Input file contains 6462 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 1 reflection will be stored in memory per 1 reflection read ................ Global Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (6462 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 2.500 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.0000 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000064 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 6462 28 6434 18.0159 0.8023 4.905 147.867 Orientation ('UB') matrix: -0.0631979 0.1166509 -0.0197991 0.0265720 -0.0308321 -0.0504082 -0.1321390 -0.0621572 -0.0121648 A B C Alpha Beta Gamma Vol 6.83401 7.36778 18.32837 89.9939 100.5949 90.0626 907.13 0.00006 0.00006 0.00016 0.0004 0.0004 0.0005 0.01 Corrected for goodness of fit: 0.00030 0.00029 0.00077 0.0020 0.0022 0.0027 0.06 Crystal system constraint: 0 (Unconstrained) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 163.510 93.266 -62.759 Goniometer zeros (deg): 0.0000* -0.1618 0.0000* -0.0028 (*=never refined) Crystal translations (pixels): -0.1914 0.0310 -0.1178 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.1038 0.2358 -0.0530 -0.1459 -0.1125 -0.9989 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 2.77993e+06 3.40514e+05 4.90 3 0 0 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 6434 6434 1310 Average input ESD (pix, pix, deg): 0.22191 0.13206 0.19732 Goodness of fit: 3.55886 6.19026 3.08627 Highest-magnitude correlations: 1 -0.72439 EuPhi1 / Gamma1 2 0.64073 Z-Translation1 / Y-Center1 3 -0.61698 EuChi1 / Beta1 4 0.53575 Yaw1 / X-Center1 5 -0.52575 Chi Zero1 / Gamma1 6 -0.51395 EuOmega1 / Alpha1 7 -0.47634 Chi Zero1 / C1 New orientation is in /home/isengard/data/marc002/work/cu_marc002_0u.p4p Constrained global unit cell refinement ================= 02/27/2015 11:41:05 Performing final unit cell least squares on file /home/isengard/data/marc002/work/cu_marc002_01._ma Input file contains 6462 reflections Refinement includes 1 sample Sample 1 contains component 1 Maximum allowed reflections = 9999 1 reflection will be stored in memory per 1 reflection read ................ Global Refinement, sample 1 of 1 -- single-component data This sample is a single crystal with 3 indices (HKL) Orientation LS for Sample 1 of 1, component 1 in sample, 1 in .p4p/.spin file (6462 input reflections)... Frame rows, columns: 512 512 Frame width (deg): 2.500 Relative SVD-filter threshold: 0.0000010 Starting gradient-expansion term: 0.0020000 Weighting multiplier for Z terms: 1.0000000 Minimum elements to filter: 0 Maximum number of LS cycles: 25 Vertical tilt of beam (deg): 0.0000 Individual reflection weights will be used in the refinement Wavelength, relative uncertainty: 1.5418400, 0.0000064 Component numbers S.C(F) below: S=sample, C=component in sample, F=component in file Reflection Summary: 'RLV.Excl' are reflections excluded after cycle 1 because RLV error exceeded 0.0250: Component Input RLV.Excl Used WorstRes BestRes Min.2Th Max.2Th 1.1(1) 6462 29 6433 18.0132 0.8022 4.906 147.895 Orientation ('UB') matrix: -0.0632589 0.1166887 -0.0198049 0.0265900 -0.0308563 -0.0504151 -0.1320834 -0.0620977 -0.0121645 A B C Alpha Beta Gamma Vol 6.83490 7.36719 18.32553 90.0000 100.5931 90.0000 907.04 0.00006 0.00006 0.00015 0.0000 0.0004 0.0000 0.01 Corrected for goodness of fit: 0.00031 0.00030 0.00077 0.0000 0.0022 0.0000 0.06 Crystal system constraint: 3 (Monoclinic B-uniq) Parameter constraint mask: 0 (0 = 0[hex]) Eulerian angles (deg): 163.506 93.265 -62.727 Goniometer zeros (deg): 0.0000* -0.1708 0.0000* 0.0181 (*=never refined) Crystal translations (pixels): -0.2049 0.0366 -0.0689 Detector corrections: X-Cen Y-Cen Dist Pitch Roll Yaw -0.0914 0.2111 -0.0526 -0.1559 -0.1096 -0.9914 Refinement statistics: StartingRes FinalRes GOF #Cycles #Filtered Code 3.84982e+05 3.53695e+05 5.00 2 0 2 Overall statistics for terms in X, Y, and Z: X Y Z Number of nonzero-weight terms: 6433 6433 1310 Average input ESD (pix, pix, deg): 0.22190 0.13206 0.19732 Goodness of fit: 3.59956 6.32848 3.11421 Highest-magnitude correlations: 1 0.64030 Z-Translation1 / Y-Center1 2 -0.62862 EuChi1 / Beta1 3 0.53941 Yaw1 / X-Center1 4 0.42683 Chi Zero1 / A1 New orientation is in /home/isengard/data/marc002/work/cu_marc002_0m.p4p End global unit cell refinement ========================= 02/27/2015 11:41:06